 64
 energy=-221.44977802853856 stress="-0.02226752       0.00522333      -0.00285883       0.00522333      -0.02394087       0.00036938      -0.00285883       0.00036938      -0.01820485" free_energy=-221.79470818 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              1.95944999      8.32631002      3.29561000      0.14014198     -0.04929204     -0.13905895       3       0      -1       0      62      0.03925420     -0.07932636     -0.09538115
 Li              6.46481003      0.10979295      2.41077004      0.83530255     -0.41720988     -0.15313844       3      -1       0       0      68      0.80604318     -0.33738671     -0.12012990
 Li             10.31539999     11.32010003      8.69778995     -0.11845165     -0.02497239      0.96824303       3      -1      -1      -1      65     -0.14628726     -0.05317899      0.69266536
 Li              6.03420995      1.78786996      5.11418004     -0.16272915      0.36315117      0.14380297       3      -1       0       0      67     -0.31717367      0.36793194     -0.03510103
 Li              4.18351001      6.34585001      1.03285998     -0.26270764     -0.84593186     -1.38852699       3       0      -1       0      71     -0.21125756     -0.98876459     -1.22360186
 Li              2.05503996     10.08030005      7.54033995     -0.88951548     -0.52991709      0.19889667       3       0      -1      -1      62     -0.93379024     -0.47107063      0.09001418
 Li              7.09737003      4.52147997      2.08543005     -3.65283424     -1.25704806     -2.14930060       3      -1       0       0      66     -3.29964147     -1.07546734     -2.10931651
 Li              8.67398002      1.36697003      0.35627096      0.65040372     -1.87567624      0.58682322       3      -1       0       0      63      0.58948403     -2.03778194      0.74998276
 Li              6.91982995      8.21608005      2.59064998     -0.13269760      2.20494842      1.67480253       3      -1      -1       0      63     -0.08342741      2.16500649      1.54288634
 Li              6.39843999      9.43196004      5.75339998      1.85095643     -1.31670057      2.36850195       3      -1      -1      -1      65      1.65744034     -1.25764185      2.46776948
 Li              6.41650999      2.81258996     10.35549997      0.87590767      1.16512394     -0.89213661       3      -1       0      -1      64      0.80417192      1.09747813     -0.72060985
 Li              3.04458996      0.25733503      3.88953996      1.44071874      1.35414016      0.88666262       3       0       0       0      64      1.32402264      1.35289830      0.85576271
 Li              0.53142097      7.51943002      9.88723996     -0.92898561      0.31377370     -0.12089635       3       0      -1      -1      64     -1.08462453      0.11622750     -0.11552501
 Li              9.97374002      3.32776994      3.99442998     -0.10519866     -0.54223639     -0.11486737       3      -1       0       0      72     -0.19054818     -0.54237142     -0.21076815
 Li              8.15296001      5.74947002      7.06747004     -0.30258324     -0.35482864      0.31718250       3      -1      -1      -1      66     -0.33533873     -0.38800464      0.29711647
 Li              7.31488996      7.20280999     10.14099997      3.62587914     -3.24310145      1.98911409       3      -1      -1      -1      60      3.45786524     -3.09112665      1.89116341
 Li              2.21386999      4.26143994      3.51485003     -0.55605867      0.32167970     -1.69847183       3       0       0       0      66     -0.77072195      0.42121256     -1.85022035
 Li             10.57109998      7.08436002      2.83450003     -0.56474563     -1.11748582     -0.20348802       3      -1      -1       0      67     -0.31177799     -1.13894248     -0.22566495
 Li             10.33659996      8.92277003      5.96349002     -0.17262847      0.10961791      1.57872771       3      -1      -1      -1      66     -0.13761085      0.16800917      1.52297262
 Li             11.01920005     11.43370004      3.00378996      0.17880864     -2.30685756      1.95784404       3      -1      -1       0      66      0.23657053     -2.36625218      2.31996194
 Li              1.68382004      2.73946000      6.22406004     -0.72368620     -0.90850334      0.22510657       3       0       0      -1      63     -0.68517394     -0.72594286      0.18566441
 Li              9.79912000      2.58967001      7.42651994     -0.62616232     -0.55983532      0.66191724       3      -1       0      -1      68     -0.57820299     -0.49783194      0.60579874
 Li              0.38553698      0.75688897      0.49904000      0.94858174     -0.56092659     -1.26678107       3       0       0       0      66      1.07222127     -0.45837333     -1.13797373
 Li              4.56374006      6.69532002      4.57658005     -0.11859791     -0.17143970      0.31910908       3       0      -1       0      62      0.00692373     -0.21399099      0.37777604
 Li              4.43877000      3.82463998      7.79087001     -1.11059915      0.21415768     -0.12715780       3       0       0      -1      66     -1.12008103      0.32044494     -0.25632161
 Li              3.85642997      7.50489997      8.66355004     -0.02384533      0.34981061      0.03937062       3       0      -1      -1      66     -0.14329089      0.17644431     -0.15768541
 Li              1.00313001      5.91616994      6.50222004      0.22626984     -0.51191336     -0.38250657       3       0      -1      -1      64      0.26634752     -0.40178827     -0.59008908
 Li              1.93081004      2.25936003      9.90088005     -0.00587863      0.03411138      0.22487304       3       0       0      -1      67     -0.18633794      0.26069351      0.09817059
 Li              3.98329003      1.78014005      0.85430405      1.16895309      0.14740607      0.64941496       3       0       0       0      66      1.27130284      0.04613498      0.59476687
 Li              9.63860002      4.55432994     10.64169999      1.71795512      0.18742980     -0.01786328       3      -1       0      -1      68      1.63092300      0.26694141      0.06909968
 Li              9.47695998      9.12783000      0.29560497      0.00881155      0.45050242     -0.41066205       3      -1      -1       0      64     -0.07702796      0.41708101     -0.37144923
 Li              5.83132005     11.31390003      9.35644999     -0.30216770     -0.42168555      0.08797839       3      -1      -1      -1      65     -0.27256899     -0.47349724      0.04298712
 Cl              1.73734997     10.51930000      3.16947999     -0.91499518     -1.49243908     -1.41050758      17       0      -1       0      66     -0.86891722     -1.34881811     -1.52113826
 Cl             11.24919999      2.58407006      9.31827004     -0.41860067     -0.44118362      0.58459365      17      -1       0      -1      68     -0.24652842     -0.63768873      0.89062759
 Cl              3.19890994      3.63801996      5.10989996      1.17076359     -1.01160395      0.23091842      17       0       0       0      68      1.15203573     -0.95360112      0.34471381
 Cl              8.44558003      3.31302000      0.19176198     -1.41912904      0.83112085      0.83890475      17      -1       0       0      65     -1.26895363      0.89004557      0.70764771
 Cl              0.17551996     10.57659997      7.11864005     -1.91745706      0.61558984     -0.43638735      17       0      -1      -1      67     -1.83673007      0.54527167     -0.16395453
 Cl              2.02363998      2.17143003      0.83032296     -0.90167925      0.03709159     -0.98548374      17       0       0       0      68     -0.79140806      0.31906802     -1.16268634
 Cl              4.15137002      4.16742998      1.51836995      0.70801431      0.64299714      0.20823817      17       0       0       0      65      0.60169945      0.75287110     -0.12137004
 Cl              7.96277999      1.94672005      4.11883003      0.38811223     -0.15211289      0.23918722      17      -1       0       0      68      0.22312633     -0.10535717      0.23506314
 Cl              8.46761999     10.32339999      1.88753995     -0.62993356     -0.17931725      0.35017436      17      -1      -1       0      60     -0.65588660     -0.15161398      0.32346634
 Cl             10.81409995      8.73527998      4.04097003     -0.34741544      0.99236470     -0.98120663      17      -1      -1       0      65     -0.30191357      0.84446085     -1.04797781
 Cl              0.19298900      1.30437002      4.77122002      0.32542542      0.65355646      0.80362229      17       0       0       0      66      0.23595277      0.40986742      0.85252610
 Cl              9.73018001      7.84482997      9.98399998      0.03513454     -0.05409369      0.36432951      17      -1      -1      -1      60      0.17784837     -0.10482967      0.27773055
 Cl              3.96206001     10.02299997      7.69950004      2.36986448     -0.19838916      0.32629799      17       0      -1      -1      62      2.30855039     -0.53968859      0.36608767
 Cl              5.19776003     10.12019998      4.52673003     -1.43480317      0.58052808     -1.82769809      17       0      -1       0      72     -1.15320005      0.46104893     -1.98380483
 Cl              4.37088003      7.69636995      2.49096004     -0.83613592      1.13728245      2.11629927      17       0      -1       0      68     -0.74741856      1.08735178      2.11520055
 Cl              6.14388998      8.36127000      9.51651002     -3.67856916      3.25433949     -1.84641943      17      -1      -1      -1      61     -3.50645111      3.09779872     -1.71084457
 Cl              3.58536005      1.86139004      8.40348996     -0.26085446      0.08834224      0.25187845      17       0       0      -1      65     -0.23512600      0.14117936      0.54678719
 Cl              5.93624000      1.22672004      0.02518874     -1.94488628     -0.97434309      1.44291099      17      -1       0       0      64     -2.28303461     -0.75010918      1.43030834
 Cl              6.94746998      6.83083996      1.31194000      0.28337220     -1.75943594     -2.94691996      17      -1      -1       0      66      0.28560426     -1.75265557     -2.84268769
 Cl              0.93673796      6.23509005      3.85804999      0.77690022     -0.91807421     -0.00533574      17       0      -1       0      67      0.86340262     -0.90143224      0.09016795
 Cl             11.16959994      3.81050005      6.58791003      0.41343680      2.15647190     -1.19555189      17      -1       0      -1      61      0.49800131      2.16547513     -1.32515132
 Cl              7.95868999      0.38151404      9.96139001      1.66101563     -0.72722368     -2.34201346      17      -1       0      -1      65      1.77893866     -0.87441485     -2.18799430
 Cl              6.37539002      3.61589997      7.31030000      1.67516227     -0.57432389     -0.52709403      17      -1       0      -1      67      1.66742076     -0.59182473     -0.41461544
 Cl              1.01210998      7.60943998      7.79317995      0.03573330      0.15866874     -0.54168458      17       0      -1      -1      63      0.21889350      0.19189015     -0.35513143
 Cl             11.05380005     10.58910004     10.80920001      0.37934594     -0.06336203     -0.07466548      17      -1      -1      -1      63      0.41195867     -0.02968963     -0.10871919
 Cl              4.92838006      1.29290001      3.15447004     -1.19356019      1.04329084     -0.00896620      17       0       0       0      64     -1.06644165      0.74241660      0.21841020
 Cl              8.35088003      5.27461003      9.29362000     -1.14004599      0.10503728     -1.56591651      17      -1       0      -1      65     -1.20740261      0.35204261     -1.62142509
 Cl              8.62497996      5.02872002      2.87751000      5.06147967      1.27554893      3.07675940      17      -1       0       0      62      4.70098461      1.35863482      2.90545583
 Cl              2.24666001      7.31979002     10.98150000      1.27771216     -0.34874414      0.67635915      17       0      -1      -1      69      1.31631137     -0.44780211      0.52609659
 Cl              3.72238995      5.78482002      6.92425000      0.17472581      1.47794640      0.48260563      17       0      -1      -1      62      0.13797574      1.66050116      0.72975558
 Cl             10.82679997      1.52190003      1.95667002     -2.57990896      3.14484975     -0.81391848      17      -1       0       0      65     -2.50000913      3.21484919     -0.93270861
 Cl              7.79066996      7.55443999      5.86238997     -0.02684118      0.49932885     -0.29682540      17      -1      -1      -1      63     -0.18697007      0.37698876     -0.24455657
 64
 energy=-223.37083744853837 stress="-0.02183036       0.00012671      -0.00252871       0.00012671      -0.01210246       0.00446804      -0.00252871       0.00446804      -0.01493609" free_energy=-223.64687044 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              3.35214002      6.96997998      1.72687001     -0.35669211      0.41405664      0.22389623       3       0      -1       0      61     -0.37727160      0.49486786      0.17331658
 Li              6.21214005      7.82473997      5.10584000     -1.57648184      0.35256915      0.97779110       3      -1      -1       0      65     -1.71786009      0.34571702      0.87121341
 Li              0.58765797      8.42954001      1.05319005     -3.21396780     -3.09663491      0.61472048       3       0      -1       0      63     -2.97302724     -2.60320199      0.70465714
 Li              2.72807999      1.95034001     10.06720004     -0.42373563     -0.05503696      0.25448976       3       0       0      -1      64     -0.36238424     -0.21435686      0.26702358
 Li              7.28859995      0.38858097      5.68014999      0.77035280      0.81060102      0.51728161       3      -1       0       0      68      0.75209946      0.99054037      0.48837779
 Li             10.63929995      0.81679900      8.13305997      0.14192361     -1.00418375      0.05095816       3      -1       0      -1      71      0.19548567     -0.95575625      0.02676664
 Li             10.62120003      5.07703004      1.32470995      3.50115933     -0.24027012      0.17783545       3      -1       0       0      69      3.42709118     -0.19774222      0.19238851
 Li             11.34600002      0.05671987      1.64909003     -0.10585981      0.42929772     -1.41526006       3      -1       0       0      67     -0.08185539      0.36163977     -1.70689994
 Li              4.93103002      3.48282995      4.78125001      0.00862869     -0.42594539      0.30469057       3       0       0       0      64      0.11040531     -0.33924815      0.21031309
 Li              4.34904000      0.21991986      6.84765004      0.45906642      0.04354101      0.11092696       3       0       0      -1      64      0.38126920      0.08922385      0.18790589
 Li              5.51734999      3.44721995      0.94262395      0.05062681     -0.44513707     -1.41539284       3       0       0       0      67      0.13882085     -0.42528490     -1.65199838
 Li              7.90125005      7.43621999      1.19046999      0.00330293      0.24693761      0.24244342       3      -1      -1       0      66      0.05003816      0.40344298      0.29058881
 Li              8.47175000      3.28765001      6.52325998     -6.24814787      4.92129248     -4.66309956       3      -1       0      -1      64     -5.38217325      4.13025311     -3.99097925
 Li              3.11253003      9.89185995     10.20539999     -1.26601683     -2.77238028      0.84978342       3       0      -1      -1      64     -1.02377742     -2.60496865      0.77702234
 Li              6.35958995     11.45673694     10.54180003     -0.30232150     -1.55844406      0.01366835       3      -1      -1      -1      70     -0.12904642     -1.37449567     -0.04517350
 Li              3.94231004     10.71340001      3.34556996      0.02827459      0.01689341      0.17370131       3       0      -1       0      62      0.02422807     -0.17679725      0.31427278
 Li              8.79661996      1.96009004      2.79293995      1.85300678      0.07151272     -2.91982408       3      -1       0       0      66      1.76466847      0.03850907     -2.74781309
 Li              2.85052996      7.29578003      7.33386001      0.22343560     -0.79945274     -1.19683015       3       0      -1      -1      67      0.31500535     -0.73970656     -1.21648330
 Li              0.58305196      4.57167999      5.84888998      0.14731900      0.19933370      0.48059063       3       0       0      -1      71      0.00280763      0.20295583      0.57507517
 Li              1.88224001      5.09529000     10.33869999      0.25128697     -0.18554788     -1.44146478       3       0       0      -1      66      0.31968936     -0.19494683     -1.30521369
 Li              9.70890002      6.59104999      5.46274001     -1.48079870     -0.36705646     -1.20636826       3      -1      -1       0      61     -1.42392277     -0.43690398     -1.17336901
 Li              5.85697998      3.32370998      8.81237004     -0.72685563     -0.86061905     -0.16747378       3      -1       0      -1      60     -0.69454935     -0.87916569     -0.14071124
 Li              1.98102003      2.82044001      1.50882995      0.27634524      0.61924195      0.14036562       3       0       0       0      66      0.25304996      0.46307736      0.21040980
 Li              9.53259005     10.32590001     10.69129997     -0.70555701      0.20575877     -0.57147830       3      -1      -1      -1      70     -0.81456898      0.28144933     -0.37271878
 Li              1.25171997      0.97894898      4.53707001     -2.23699139      0.37897683     -2.65479792       3       0       0       0      65     -2.32782498      0.28012786     -2.53666649
 Li             11.42966771      8.51108005      9.38234000      0.21077500     -1.11773678      0.50526382       3      -1      -1      -1      66     -0.01706607     -1.05264156      0.63706318
 Li              6.12660001      6.72888995      9.07989005     -0.29688507      0.86893588     -0.06226829       3      -1      -1      -1      64     -0.24995865      0.86913234     -0.14920110
 Li              8.85758000      9.12637002      7.47494002      0.05878477      0.98246840     -0.94165907       3      -1      -1      -1      65     -0.11829207      1.07589346     -0.84850728
 Li              8.56315001      2.66577002     10.70460003      0.30025297      0.21614169     -0.02849723       3      -1       0      -1      69      0.05873388      0.11627494     -0.11754685
 Li              9.58787998      6.18125998      9.04919994     -0.26924153     -0.91876295     -0.19966687       3      -1      -1      -1      65     -0.20204929     -0.83073772     -0.17542851
 Li              1.20847006      9.00296003      4.85871002      0.43849337      0.12444523     -0.24301089       3       0      -1       0      67      0.42592231     -0.03910455     -0.26419388
 Li              9.51587995     10.41980003      3.88284998      0.00038126     -0.38602065     -0.02360425       3      -1      -1       0      64      0.07178427     -0.36195478      0.00413047
 Cl              9.42071003     10.92659997      6.07486997     -0.16117599     -0.58201414     -0.65667194      17      -1      -1      -1      69     -0.16918962     -0.65418615     -0.74475434
 Cl              8.68137998      5.54076005      6.91746005     -0.05077253      0.04061883      0.24645865      17      -1       0      -1      65     -0.02254695      0.14043227      0.27879194
 Cl              3.85359004      0.10240205      9.72518996      1.43318789      2.06820756     -1.19443506      17       0       0      -1      68      1.23037926      1.95006545     -1.30555627
 Cl              2.54861001      0.87333304      5.83041002      1.78510652     -0.57674918      3.28814925      17       0       0      -1      66      1.86287687     -0.51260851      3.32920052
 Cl             10.19510002      9.22001003      0.95130803     -0.85349419     -1.51543947     -0.06698789      17      -1      -1       0      62     -0.81517618     -1.45160138     -0.13596487
 Cl              2.12529995      9.26675999      0.90615905      5.20685215      2.48409730     -0.68152488      17       0      -1       0      65      5.02934742      2.32722436     -0.74638241
 Cl              5.55241005      4.01102006      2.80370996     -0.17233015      1.26827399      1.32063172      17       0       0       0      64     -0.28158278      1.20396649      1.32509241
 Cl              3.34098998      8.08575996      4.15265998     -0.07711764      0.22658723     -0.31031953      17       0      -1       0      66     -0.18554135      0.23967470     -0.27166672
 Cl              0.36249297     10.43309997      3.25119004      0.24284902     -0.12176171      2.34869605      17       0      -1       0      66      0.30120580     -0.05732817      2.44413950
 Cl              0.00521992      7.44180000      5.70208001      1.33166620      0.32678032      0.48258373      17       0      -1       0      66      1.41590389      0.22970094      0.58206993
 Cl              2.98636999      1.67114994      3.01181003      0.41351699     -0.37678126     -0.23100204      17       0       0       0      64      0.31577360     -0.33494991     -0.34488254
 Cl              8.88293005      8.26508996      9.33247004      0.42128941     -0.99136287      1.06787942      17      -1      -1      -1      63      0.87541693     -1.12679628      0.89943503
 Cl              7.74230996      2.10163997      4.29887002     -1.19762681      0.10528430      2.10867087      17      -1       0       0      65     -1.01844187      0.00262153      2.07717029
 Cl              7.98323994     11.22660000      9.07885998      0.36054274      0.23972810     -0.34070681      17      -1      -1      -1      69      0.22411914      0.09547475     -0.35829441
 Cl              6.40001002      9.26376002      0.55538200     -0.08186190     -0.28939171     -0.08959593      17      -1      -1       0      71     -0.17337103     -0.32133967     -0.14223879
 Cl              1.39041002      5.91624996      0.71115004      0.16903332      0.60352645      1.95006634      17       0      -1       0      62      0.18644513      0.43702173      1.88570284
 Cl              6.98571998      4.90981996      9.44015001      1.02257515     -0.17748879      1.07435686      17      -1       0      -1      65      0.99495510     -0.10547884      1.03080855
 Cl             11.11809999      3.82138997      3.92129005      0.18622756     -0.17726329     -0.24891416      17      -1       0       0      65      0.33352816     -0.22909807     -0.13015505
 Cl              0.86655604      1.48801002      0.32034902      0.15835998      0.18188699     -1.16290983      17       0       0       0      64      0.20879040      0.07415123     -1.17247330
 Cl              3.94289002      3.63139005     10.83640004     -0.99767113      0.59265721     -0.25320407      17       0       0      -1      64     -1.09795031      0.45725755     -0.08494730
 Cl              2.65161003      7.73261003      9.28654998     -0.39259735      1.10460431      1.83554060      17       0      -1      -1      65     -0.60693013      1.14442852      1.76843405
 Cl              2.06021998      5.08319003      7.84688001     -0.07751455     -0.69751260     -1.04176319      17       0       0      -1      61     -0.18810938     -0.69465758     -1.12687867
 Cl              6.51249995      1.92537001     11.13410000      0.34451895      1.03106221      0.34665084      17      -1       0      -1      64      0.23878766      0.95374434      0.33920258
 Cl              9.31512000      0.44681000      0.84548298     -0.86837001      1.87376830      0.69877794      17      -1       0       0      72     -0.65726872      1.86562750      0.71745129
 Cl              5.81018004     10.51820001      5.19403001     -1.13489096     -0.93050688     -0.27635988      17      -1      -1       0      66     -0.94834331     -1.09420782     -0.16464601
 Cl              9.58492002      2.39983002      7.31645999      6.16449867     -4.17377732      4.56388764      17      -1       0      -1      68      5.17354421     -3.41617158      3.83836797
 Cl              5.14848002      6.94689000      7.16376002      0.23304826      0.32556049     -0.74452612      17       0      -1      -1      66      0.29475642      0.30077880     -0.76890406
 Cl             11.07109999      4.74217997      9.95188005     -0.67531719     -0.27853168      0.06460010      17      -1       0      -1      63     -0.77733778     -0.13518206      0.12772440
 Cl              0.25807505     10.15470001      8.26095995      0.18682737      1.31655661     -0.15326796      17       0      -1      -1      69      0.08894128      1.34181181     -0.20821825
 Cl              8.78759000      5.15784003      1.16580001     -3.54161080      0.22397426     -0.30314014      17      -1       0       0      66     -3.31344575      0.21283575     -0.47433789
 Cl              5.80922002      2.27599997      6.65734001     -0.43457370      0.18689944      0.79908426      17      -1       0      -1      64     -0.46948938      0.19350724      0.92523825
 Cl              7.83716002      7.46667003      4.00888002      1.54296133      0.01973183     -0.92841539      17      -1      -1       0      64      1.55448197      0.24718952     -0.87614957
 64
 energy=-221.37310569296102 stress="-0.01367809      -0.00128176       0.00094497      -0.00128176      -0.02436934      -0.00429024       0.00094497      -0.00429024      -0.01900576" free_energy=-221.40487924 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.82052997      5.52676996      9.68609997     -1.30339603      1.02201982     -0.03784775       3      -1       0      -1      64     -1.07975645      1.26569068      0.04535895
 Li              2.26609002     11.41899997      8.11146001      0.31977850      0.12338533     -0.24180587       3       0      -1      -1      64      0.18608497      0.23274637     -0.23822693
 Li              6.93361999      7.96028995      6.44881003     -0.88083376      2.44656938      2.11624993       3      -1      -1      -1      69     -0.80121132      2.53669959      2.02416314
 Li              8.17398000      8.30328997     10.90420002      0.20256781      0.05366427      0.79067939       3      -1      -1      -1      66      0.11190260     -0.17994185      0.82333484
 Li             11.09019994      1.66208995      4.18178005     -0.07276570      1.77859541     -0.45741704       3      -1       0       0      65     -0.08033245      1.78415161     -0.44263017
 Li             11.26599998      2.90898002      8.11875003      1.03633267      1.50389730      1.03544919       3      -1       0      -1      65      1.01984154      1.60199006      1.16216494
 Li              9.40119003      5.06675002      1.31783998      0.75636281     -0.06894885      0.74770843       3      -1       0       0      64      0.72652879     -0.07210621      0.71429350
 Li              0.01300955      8.55626995     10.74580001      0.03974286      0.67858752     -0.17973408       3       0      -1      -1      68      0.01197460      0.50755340     -0.14471021
 Li             11.35040001      7.24040997      8.11128002      0.44231656     -0.22463804     -0.48828922       3      -1      -1      -1      64      0.31344718     -0.17557027     -0.54302695
 Li              2.10108005      6.98359003      1.50374004     -1.06665460     -0.11906381      0.36827237       3       0      -1       0      64     -1.01347453     -0.18403994      0.36584634
 Li              3.69335999      7.29149996      4.90181996     -0.54687184     -0.18894045     -1.02500549       3       0      -1       0      65     -0.34031370     -0.30480239     -1.04541590
 Li              8.28739005      2.54707998     10.83779994      0.35405952      0.00615950      0.00600654       3      -1       0      -1      64      0.58375159     -0.05189560     -0.16285715
 Li              4.92941998      9.42609996      0.85667395      0.43836644     -0.19536220      0.37633257       3       0      -1       0      65      0.50106244     -0.21874312      0.41645605
 Li              0.91008098      4.30693995     11.31290000     -1.32553051     -0.43726085     -1.05486989       3       0       0      -1      67     -1.29601900     -0.44373429     -0.91984892
 Li              9.33683002      4.78207005      5.87077999     -0.18592045      0.12911799     -0.07461923       3      -1       0      -1      71     -0.06209867      0.11681242     -0.18342547
 Li              6.27972003      6.87149998      3.52340995      1.10087955      3.43250788     -0.06426802       3      -1      -1       0      61      1.20072598      3.46700798      0.05027611
 Li              5.45285998      5.44163003      0.59678101      0.10372786      0.21979728      0.19938674       3       0       0       0      65      0.16508753      0.27425352      0.01545080
 Li              7.67677005      0.35926795      6.36735998     -1.75269718      4.40695281      2.67096151       3      -1       0      -1      60     -1.62092245      4.25857652      2.53429517
 Li              1.02599999     10.02030002      3.05181005     -0.04685204     -0.39486529     -0.04129313       3       0      -1       0      66     -0.02972812     -0.44142451      0.02142365
 Li              2.92143000      5.91884995      8.38699997      1.10588944      0.30486369     -1.03314361       3       0      -1      -1      66      1.18192272      0.17278933     -1.16083781
 Li              6.33482000      3.46989996      8.47437005     -0.53832108     -0.61597211      0.54543894       3      -1       0      -1      62     -0.63712593     -0.60209630      0.66454371
 Li              4.18439001     10.89290003      4.56569001     -0.61349832      3.30894426      0.99066652       3       0      -1       0      65     -0.79767082      3.39663761      0.98682244
 Li              6.27630001     10.81959994      9.20498002      0.64946668     -1.03638456     -0.38001641       3      -1      -1      -1      62      0.61630593     -0.98528100     -0.22314886
 Li              1.13458002      4.90848001      4.63560000      0.44590673     -0.14162978     -0.59923551       3       0       0       0      65      0.31320280     -0.17919040     -0.60243430
 Li              2.00969002     11.43529999     11.23469997     -0.16074854     -0.40196936     -0.60983826       3       0      -1      -1      63     -0.08737432     -0.41215989     -0.61591468
 Li              4.18132996      2.89131001      5.68582997      0.09952327     -0.74211617     -0.09928521       3       0       0       0      69      0.06482185     -0.70749381      0.06613717
 Li             10.11409995      7.52396999      4.68295000     -0.30448678      0.45933911     -0.96917698       3      -1      -1       0      65     -0.27599680      0.37922375     -0.80676806
 Li              3.47125997      2.80000997      2.27634998      0.69607836     -0.63552914      0.72369929       3       0       0       0      67      0.36328481     -0.81796522      0.62807498
 Li              4.60992001      1.71550994     10.16920003     -0.16411353     -0.64443569     -0.39507455       3       0       0      -1      61     -0.08726492     -0.54050452     -0.15094458
 Li              8.68358995     10.54040001      2.32663002      1.26391123      0.51113240      1.57335716       3      -1      -1       0      64      1.04992364      0.60029632      1.55346839
 Li              7.03283003      3.36481997      3.55574999      0.28834101      0.36188244      0.18537108       3      -1       0       0      65      0.27062549      0.48815589      0.28792373
 Li              9.87688004      0.10793700      8.59735999      0.12821305     -4.28257176      1.37882528       3      -1       0      -1      66      0.27241961     -4.25677254      1.08018816
 Cl             11.34670003     11.20479998      4.54645995     -0.27677321     -1.87684880      0.04243524      17      -1      -1       0      66      0.00906693     -1.88473606     -0.01442117
 Cl              9.78034002      3.83581995      9.45246998      0.60458872     -1.06407829     -0.01708396      17      -1       0      -1      64      0.45062011     -0.89607981     -0.03171184
 Cl              3.56241005      7.55729998      6.91469005      0.07289569      1.03918933      1.96531063      17       0      -1      -1      70     -0.07291385      1.09369302      2.04101443
 Cl             10.37060004      1.34324001      7.44405995      0.68761216      1.96850426     -4.97879817      17      -1       0      -1      67      0.57471064      1.77379576     -5.01858469
 Cl              5.32201998      3.70673995     10.42399996     -0.30157734      1.61981156      0.95066579      17       0       0      -1      67     -0.26731963      1.47458682      0.91533083
 Cl              0.77087195     10.21169996      9.14585001     -0.44212139     -0.58432736     -0.09758187      17       0      -1      -1      66     -0.36153512     -0.48735256     -0.06944416
 Cl              7.56857006      4.10342995      7.04325003      0.38318623      0.06789405     -0.98861623      17      -1       0      -1      63      0.54079010      0.15944648     -1.20669644
 Cl              9.64362000      7.83721998      2.38823000      0.22226040     -0.07239856      0.36072023      17      -1      -1       0      63      0.19238414      0.16264839      0.41390186
 Cl              7.56450998      6.65353994      5.26156001      1.71241773     -1.39022487     -1.45330390      17      -1      -1       0      62      1.79634347     -1.32181224     -1.50374664
 Cl              6.37553000      1.42347999      3.10318997     -0.31000813     -0.19420999     -0.09050224      17      -1       0       0      65     -0.29870371     -0.14013103     -0.15864435
 Cl              1.41487995      9.10280004      0.73400099      0.48331260      1.23324760      0.23347806      17       0      -1       0      64      0.47462289      1.14474425     -0.04803266
 Cl              2.24267996      1.73646997      9.51732995      0.08008734      0.26819729      0.33365701      17       0       0      -1      65      0.27853584      0.04223503      0.39922232
 Cl              8.19232996     10.42130001      5.45584998      1.26430963     -4.46713598     -2.51880695      17      -1      -1       0      63      0.96306853     -4.35927649     -2.47173905
 Cl             10.42729996      3.05411001      1.10391995     -0.43769282     -0.13371210     -0.69339794      17      -1       0       0      69     -0.51156978     -0.15333776     -0.61820962
 Cl              7.88773000      6.12286002      0.26376397     -1.53056399     -0.47738024     -0.21701463      17      -1      -1       0      65     -1.61263692     -0.58304778     -0.18592655
 Cl              7.63492004      8.54134999      8.87252002     -0.86863987      0.49799376     -1.15913105      17      -1      -1      -1      67     -0.91300534      0.44432067     -0.94676465
 Cl              1.26344999      7.77715002      3.50474002      0.62484300     -0.57723667      0.81075834      17       0      -1       0      62      0.56011131     -0.44592081      1.00007815
 Cl              2.04218999      4.01415003      1.45470995      0.75044468      0.92393605      0.89245083      17       0       0       0      63      0.81643412      0.96130506      0.91517108
 Cl              4.84698000      0.85018104      6.76791998     -0.60672442     -0.14072111     -0.67531166      17       0       0      -1      64     -0.37787487      0.01918199     -0.96716489
 Cl              6.74361995      1.38166002      9.18727000     -1.28562616      1.30707308     -1.12995791      17      -1       0      -1      63     -1.47865324      1.05452902     -1.25401190
 Cl             10.28910001      4.16883997      3.91180004     -0.36557556     -1.09659907      0.02504486      17      -1       0       0      70     -0.53207774     -1.19500412      0.17233696
 Cl             11.27069999      6.05832002      5.83107999     -0.10832022      1.07129480      2.54840949      17      -1      -1      -1      62     -0.16475487      0.95935236      2.59648187
 Cl              4.73742997     10.86660005     10.64090002     -1.50583757     -0.05452205      0.68729823      17       0      -1      -1      67     -1.47295550     -0.31229791      0.51440681
 Cl             10.23660003      7.06282999      9.97474005     -0.05438983      0.83331332      0.15976538      17      -1      -1      -1      67     -0.16984547      0.99088328     -0.04360434
 Cl              3.36759995      4.89601995      5.68173997     -0.66304747     -0.82074387     -0.25553088      17       0       0       0      61     -0.78813167     -1.00677576     -0.39322812
 Cl              7.39220002      9.70024999      1.16706004     -2.06260980     -0.77080748     -1.58157033      17      -1      -1       0      66     -1.87149615     -0.67244380     -1.59934495
 Cl              4.10304005      7.33745005      1.38329998      1.63645239     -0.22667550     -0.67995608      17       0      -1       0      64      1.56885814     -0.13657406     -0.65118755
 Cl              5.67179998      5.14291996      3.26394004     -1.22479895     -3.62455622     -1.13439156      17       0       0       0      65     -1.10057585     -3.72858064     -1.24288673
 Cl              1.26335002      5.53588005      9.48271997     -0.02251963     -0.26863942      0.12816280      17       0       0      -1      66      0.00035478     -0.05125224      0.18595155
 Cl              2.39011003      1.36847999      3.74048999      0.84008901      0.19923222     -0.11038403      17       0       0       0      69      1.09040272      0.21532743     -0.07516062
 Cl              9.01691997      0.63100097     10.17940003      1.07609467     -1.10808761      3.58205903      17      -1       0      -1      58      0.76045803     -1.11521551      3.91029826
 Cl              4.69719001      9.16987995      4.07350004      1.11945816     -2.69851042     -0.89636122      17       0      -1       0      56      1.17366340     -2.51507417     -0.76371531
 64
 energy=-222.11626918077681 stress="-0.02750834      -0.00413302       0.00086912      -0.00413302      -0.02465791       0.00029372       0.00086912       0.00029372      -0.02263392" free_energy=-221.65076447 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.47275997      8.25953999      7.25128005      0.57840185     -0.43232432     -0.75979181       3      -1      -1      -1      64      0.57331716     -0.41871910     -0.77044335
 Li              9.86190998      9.56061999      8.57111997      1.75326962      0.21829224     -0.65123575       3      -1      -1      -1      66      1.58064864      0.22791332     -0.47516692
 Li              0.86778799      2.05027002      4.78727999     -0.08790792      0.37067766      0.17466040       3       0       0       0      68      0.01266947      0.38175736      0.22073870
 Li              3.67255003      4.06207004      1.79998999     -0.08950988      0.32585510     -0.12540780       3       0       0       0      65      0.04317507      0.27664760     -0.03590343
 Li              0.49229900      5.60020005      4.95688003      0.38215291      0.47609196      0.26176575       3       0       0       0      64      0.82669738      0.20517241      0.18372219
 Li              6.35684002      9.61025998      4.55032994     -0.06626259     -0.37444545      1.22082042       3      -1      -1       0      71     -0.22166887     -0.24274056      1.08081071
 Li              4.96281004      0.79467902     10.55039996     -0.31191930      0.41361795     -0.25033777       3       0       0      -1      65     -0.19282680      0.29982555     -0.38353000
 Li              1.89188996      6.87267003      0.25139997      0.42140584      0.86087562     -0.09954315       3       0      -1       0      67      0.57394040      1.10097056     -0.15817140
 Li              1.77879002     11.06590003     10.72619999     -0.65929807      0.40266582     -1.19027754       3       0      -1      -1      66     -0.72178424      0.26605034     -0.99261296
 Li              4.54651004      5.02348004     10.04170004     -0.15049293     -2.06198612      0.00622568       3       0       0      -1      62     -0.03793990     -1.92032207      0.09164197
 Li              4.10011998      7.52410000      6.98196004     -0.56876333     -0.35141145     -0.35889790       3       0      -1      -1      72     -0.56433487     -0.25958481     -0.26006355
 Li              7.08158005      2.86511000      0.93640102     -0.99237765     -0.24626876      0.41377433       3      -1       0       0      64     -1.03773072     -0.15708983      0.21038961
 Li              1.14558997      9.57024001      6.11117998     -1.79091658     -0.26335849     -0.84560266       3       0      -1      -1      71     -1.87065128     -0.27893534     -0.75051150
 Li              8.83155001      3.94510996      3.25024997      1.63805854     -3.37780875     -1.37410622       3      -1       0       0      65      1.49452620     -3.47578542     -1.46339295
 Li              4.82829001      2.31055996      4.54796005      0.84217113      0.37713890      0.15057349       3       0       0       0      64      0.79275245      0.20977380      0.23838326
 Li              6.40054999     10.93580005      8.40344995      1.07263232      1.15815155     -1.34680167       3      -1      -1      -1      61      1.10076198      1.39268960     -1.48702932
 Li             10.01370003      5.85228994     10.05740003      0.79026945      0.27627393      0.56504946       3      -1      -1      -1      65      0.68982709      0.21152472      0.70971788
 Li              7.22817999      4.87141004      5.46718001     -0.80910408     -0.44954551      1.05382698       3      -1       0       0      67     -0.80930363     -0.47448055      0.91246407
 Li              2.46099000      8.80429002      2.89209004     -0.92170595      0.77489767      1.48047938       3       0      -1       0      65     -0.70509264      0.62305701      1.33068182
 Li              4.91917000     11.27560005      2.28910995      0.24035250      0.57807864     -0.66370227       3       0      -1       0      64      0.11389846      0.75310244     -0.83372112
 Li              9.28166000      7.47481001      3.55368998      0.46966870      0.34167678      0.25975421       3      -1      -1       0      71      0.19513591      0.48189965      0.02726689
 Li              2.80892001      3.01321004      7.63017004     -0.50018577     -0.27601274     -0.62444781       3       0       0      -1      64     -0.28830499     -0.26196328     -0.69920919
 Li              7.98525995      3.19665996      8.09610005     -0.12835927      0.77359307     -2.86101274       3      -1       0      -1      66     -0.35905962      0.57596582     -2.76687071
 Li              0.49176694      4.53791997      1.14892997     -2.42980476     -0.24094486      1.74394619       3       0       0       0      62     -2.45591615     -0.24709956      1.47160470
 Li              3.95275996     11.33849997      6.91568997      0.39161615      0.19741978      0.14717930       3       0      -1      -1      63      0.49800901      0.25166268      0.22658890
 Li              9.47302005     10.51750000      4.62135001      3.68136472      2.10193029      2.15761004       3      -1      -1       0      70      3.56262559      2.30760955      2.13502954
 Li              7.64843998      1.10725995      4.70286999     -1.43514830     -1.26102507      0.95628298       3      -1       0       0      65     -1.43415982     -1.51863620      0.97876135
 Li              9.88331001      1.16066997     10.29359997     -0.56647355      0.23637196      0.21883624       3      -1       0      -1      68     -0.65752983      0.38309267      0.32736644
 Li             10.50400000     10.08110002      1.47411004     -1.28505147     -1.52861982      1.57019923       3      -1      -1       0      68     -1.31089987     -1.52320400      1.54582943
 Li              5.16133996      7.02238997      3.00169005     -0.37804331      0.28408436      0.28894616       3       0      -1       0      65     -0.48286320      0.20589886      0.02537108
 Li              4.55634995      9.06961003     11.27289998     -0.69909924     -1.24500795      0.89257631       3       0      -1      -1      70     -0.46908588     -1.58879603      0.94994883
 Li              7.95601996      8.03581995     10.86319997     -0.77870868      0.44882045      0.28980307       3      -1      -1      -1      70     -0.58337052      0.75089539      0.40020843
 Cl              5.26922996      3.53417995     11.46199996     -0.58376694     -1.03969814     -0.62851225      17       0       0      -1      66     -0.55537136     -1.07967736     -0.72334032
 Cl              6.61162997      1.23140997      2.95651998     -1.43318081      0.39188100     -1.47454053      17      -1       0       0      68     -1.48145458      0.44530433     -1.21032473
 Cl              5.56751998     10.17479999     10.02079997     -0.51538406      0.81189380      0.22122693      17       0      -1      -1      66     -0.73219351      0.83489144      0.24611827
 Cl              7.52565994      1.76851000      9.16287000     -0.59156769     -3.81094109      2.65303676      17      -1       0      -1      65     -0.55137619     -3.84808682      2.65396079
 Cl              2.11973003      4.82539001      0.22650506      2.71626097     -1.18754540     -2.10688077      17       0       0       0      64      2.56796725     -1.22980414     -2.08973625
 Cl              3.36964999     10.87800002      0.49195897      0.56875345      0.92245485      1.49655652      17       0      -1       0      68      0.59131349      0.81583876      1.17733187
 Cl              6.24206996      2.96223997      6.58490995     -0.56443446      0.91538320     -0.75440988      17      -1       0      -1      65     -0.47641980      1.17354255     -0.90494954
 Cl              3.01661998      9.45518002      6.74087001      1.44559158     -0.62489590      0.66786793      17       0      -1      -1      65      1.37102017     -0.64556908      0.68482317
 Cl             11.22489996     10.72919997      7.27908999     -0.39456019      1.22004709      0.85061667      17      -1      -1      -1      64     -0.25429019      1.02107701      0.80736971
 Cl              9.85328001      7.97280000     10.01759995      2.32546965     -1.02928407      0.54750107      17      -1      -1      -1      70      2.27217094     -1.34813553      0.56393744
 Cl              9.05423998      3.01182997      0.72236303      1.87849657      0.31520218      0.14914137      17      -1       0       0      61      1.86456501      0.30512703      0.18749223
 Cl              2.75270996      6.22372998      5.17837003      0.73099848      0.91140491     -0.13085078      17       0      -1       0      68      0.35535301      1.13346648     -0.11519226
 Cl              3.19261995      1.44155996      5.65271001     -0.78107344      0.49524928     -0.90080650      17       0       0       0      68     -0.70119045      0.52285141     -0.97682096
 Cl              0.98468696      4.06670000      3.34387003     -0.14328787     -0.81323908     -0.62585767      17       0       0       0      66     -0.17024781     -0.62246664     -0.48460469
 Cl              4.68533995      6.90974998     10.21800004      0.29514342      2.23108891     -0.61983055      17       0      -1      -1      62      0.00613942      2.22159673     -0.44679720
 Cl             10.68399998      8.19757005      5.62696995     -0.17784804     -1.32699738     -0.41766086      17      -1      -1       0      64     -0.23258675     -1.43152393     -0.20510076
 Cl              3.52814997      7.91288996      1.47553000      0.32835344     -1.59360093     -1.00211203      17       0      -1       0      62      0.39626081     -1.55785773     -1.16689012
 Cl              6.08633001      7.40630005      6.01454000     -0.23512243     -0.68695705     -0.71242239      17      -1      -1      -1      70     -0.14111357     -0.70602730     -0.51821923
 Cl              8.02488004      9.45483002      1.10874996      0.03123825     -0.14489382     -1.17323338      17      -1      -1       0      67      0.16304028     -0.40316355     -1.05992672
 Cl              8.22511998      9.45804002      3.88411002     -1.69300683     -2.51782376     -1.26097679      17      -1      -1       0      67     -1.49128731     -2.63787293     -1.09352698
 Cl             11.29250000     11.33669996      0.23645204      0.58648377      1.69377406     -1.95211377      17      -1      -1       0      66      0.43553860      1.65233027     -2.13532929
 Cl              0.86697896      4.14905996      6.58707005     -0.02322247     -1.12775298      1.10405761      17       0       0      -1      60     -0.18978017     -0.91825592      1.12778096
 Cl              5.53502000      4.90233998      2.72292003     -0.82971056     -0.59858376      0.37328782      17       0       0       0      65     -0.75736344     -0.55470095      0.35151024
 Cl              8.79207001      4.71931997      8.94721004      0.23676749      1.41798973      0.10384896      17      -1       0      -1      67      0.33175324      1.61706087      0.12067248
 Cl              8.12428005      5.56733999      3.75184994      0.20218374      3.72951238      0.33438865      17      -1       0       0      66      0.38053859      3.75250272      0.41785014
 Cl              0.08960160     10.68869999      3.63185997      0.48700867      0.17389736     -0.34386094      17       0      -1       0      68      0.39376842      0.27387547     -0.21290144
 Cl              9.05515002      2.37715000      4.82191003      2.49331170      1.42388308      0.35781719      17      -1       0       0      60      2.57425113      1.39324528      0.46355074
 Cl              7.90004997      9.40722001      8.80940996     -1.05085150      0.91070755     -0.12403491      17      -1      -1      -1      65     -1.11060161      1.12334368     -0.20060277
 Cl              0.01368996      6.89053997      1.23061996     -1.04653429      0.30702852      0.65350160      17       0      -1       0      61     -0.99639990      0.14124069      0.54175795
 Cl              6.58138995     11.11400002      6.06584002     -0.44566045      0.27733876      1.03605821      17      -1      -1      -1      65     -0.15142894      0.15087651      1.10400932
 Cl              3.09123995      0.93292001      8.80328001      0.10242293      0.39733086      0.75267726      17       0       0      -1      72      0.15611567      0.35556659      0.79222132
 Cl              4.64993998      9.69946996      3.55406004     -1.53150317     -0.55160858      0.22537490      17       0      -1       0      69     -1.72215247     -0.48874852      0.31397721
 64
 energy=-225.71559869228520 stress="-0.02077513      -0.00705976      -0.00227124      -0.00705976      -0.01509646      -0.00343267      -0.00227124      -0.00343267      -0.00160907" free_energy=-225.72334994 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.92776999      7.62657003      5.54531997     -0.96077994     -0.95481116      0.37946836       3      -1      -1       0      67     -0.83498018     -1.19483467      0.53297934
 Li             11.14139999      1.51581995      2.12755004      0.93335857     -0.12922932      0.56972054       3      -1       0       0      68      0.81706705     -0.25019518      0.38531260
 Li              0.59968205      7.27648003     10.12670000      0.24857852     -0.31397605      0.42802919       3       0      -1      -1      66      0.11063838     -0.10975811      0.50319534
 Li              1.16844997      3.33925004      0.06449185     -0.01687064      0.40729114     -0.13947006       3       0       0       0      72     -0.07139182      0.22229776     -0.03143315
 Li              1.60588999      2.12796998      7.62332999     -0.22922190     -0.00856399      0.25928953       3       0       0      -1      66     -0.04137254      0.11656567      0.37116523
 Li              6.85270005      5.64915998      2.53475004     -0.45350667     -0.26405732     -2.47308581       3      -1       0       0      69     -0.30840699     -0.21503873     -2.31145507
 Li              3.76595995      6.13826996      1.77211998      0.20627806      0.24003917     -1.17061757       3       0      -1       0      64      0.18894123      0.31554547     -1.16313228
 Li              0.92066504      4.64456999      3.30317001     -1.35500435     -0.37789512      0.34579848       3       0       0       0      69     -1.35799050     -0.20021655      0.46723409
 Li              6.50692005      1.91530002      9.85037004     -0.62039919     -0.30225723     -0.23555266       3      -1       0      -1      67     -0.57794085     -0.10679076     -0.28727345
 Li              4.71825000      3.80962005      5.51153004      0.30134440      0.51223209      0.15021585       3       0       0       0      65      0.30115146      0.64820270      0.20556046
 Li              0.14656795     10.99520004     10.13269995     -1.42977953     -0.27606223      0.39712580       3       0      -1      -1      64     -1.35061157     -0.33370491      0.51282088
 Li              3.24698999      0.18659595     10.81909998      0.90844258     -1.12069779      1.58801698       3       0       0      -1      62      0.87619114     -0.89252126      1.89072480
 Li              2.32993001      9.70726005      7.47403996     -0.79621347      0.35865088      0.71673277       3       0      -1      -1      64     -0.66576909      0.37131154      0.75755356
 Li              9.25616998      2.04189995      8.90779997      1.71229477     -0.27278113     -0.74574999       3      -1       0      -1      71      1.82293007     -0.24840181     -0.73819622
 Li              8.51234995      9.49515001      8.10844995      0.22755180      0.36484497     -0.21202810       3      -1      -1      -1      63      0.22622155      0.18184268     -0.31874875
 Li              4.73579001      8.26989005      8.60452998      0.62836066     -0.35384803     -0.00352608       3       0      -1      -1      65      0.64749854     -0.43730966     -0.06580345
 Li              4.21662000      4.21489004     10.17749994     -0.36148151      0.29812866     -0.47633588       3       0       0      -1      65     -0.33591271      0.29137498     -0.54780646
 Li              0.37313904      8.44256997      2.49610005      0.59662889     -2.26911662     -0.66967293       3       0      -1       0      65      0.77159693     -2.18518838     -0.77546511
 Li              8.71821999      8.62351999      0.60498703      0.38733629      0.38206749     -0.11021947       3      -1      -1       0      67      0.38035694      0.24419483     -0.23136116
 Li              5.17885004      9.38722997      0.73762405      0.09221797     -0.87741576      0.04529706       3       0      -1       0      66      0.05067603     -0.99587442     -0.02446638
 Li              4.27940997      2.62052005      1.96693995      1.02428902      0.42376470     -0.16962280       3       0       0       0      66      0.85233274      0.23267999     -0.30408800
 Li              3.08643997      9.99607003      3.39338002     -0.22731362      0.25417188      0.39018149       3       0      -1       0      63     -0.29063104      0.21484175      0.40134998
 Li              7.50692995      5.50407000      9.13125002     -0.74137106      0.09971533     -0.34896326       3      -1       0      -1      64     -0.56271562      0.13253456     -0.34758834
 Li              9.26435995      0.03938462      4.57211001     -0.32927069      0.01964603     -0.32409274       3      -1       0       0      63     -0.37589118      0.01911768     -0.46309476
 Li              2.33126995      5.83455000      6.40866005      1.30008090      0.63156631      0.01929634       3       0      -1      -1      67      1.06254474      0.80685469      0.18869507
 Li              7.10151001      0.94352596      1.68708999     -0.63187765      0.27182609      0.27352756       3      -1       0       0      63     -0.60864917      0.28691075      0.35281531
 Li              9.06205002      3.38982001      0.53923904      0.14657515      0.03228675      0.16197279       3      -1       0       0      65      0.14968359     -0.17024497      0.25340124
 Li              9.98711998      5.10584998      4.66958998     -0.45787105     -0.45785187      0.47115530       3      -1       0       0      63     -0.64053921     -0.46234236      0.60043389
 Li              7.83492999      3.17687995      5.37115004      0.15757048     -0.54192221     -0.17771292       3      -1       0       0      62      0.16503289     -0.50527558     -0.28819993
 Li             10.69980005      8.82095002      5.53591995      1.38199759     -0.22405657     -0.05576123       3      -1      -1       0      55      1.18849286     -0.40205909      0.05486784
 Li             10.33619997      4.99178005      8.38845994      1.07748713     -0.12153215     -0.12522893       3      -1       0      -1      66      0.90657974     -0.18695584     -0.14735098
 Li              4.75535002      0.71204105      5.98652004     -0.34415409      0.68029191      0.39516262       3       0       0      -1      62     -0.27596202      0.70702586      0.52326199
 Cl             10.88460000      3.75445004      2.17196003     -0.75917977     -0.07573318     -0.57009447      17      -1       0       0      64     -0.54063941     -0.12171108     -0.72981800
 Cl              4.14913998      1.94480999     10.42949995      1.66171544      1.72418803     -1.06243389      17       0       0      -1      68      1.76620831      1.82606501     -0.93970078
 Cl              1.91113000      0.09681986      9.38906999      0.80583746     -1.11681066     -2.76811016      17       0       0      -1      62      0.67368252     -1.05297870     -3.00510617
 Cl              8.76596000      4.41671995      7.14169999     -0.42885134      0.24144677     -1.05343635      17      -1       0      -1      63     -0.50887064      0.31820121     -0.99600622
 Cl             10.71700002      9.07042996      0.03871992      0.68144607     -0.28357306     -0.66820264      17      -1      -1       0      67      0.67514408     -0.36879813     -0.79574309
 Cl              0.60718599      4.84417996      6.56678996     -1.11366261     -1.31572585      1.08981659      17       0       0      -1      67     -1.00746255     -1.22083945      0.97834172
 Cl              9.15319999      0.88855301      1.94142998      0.06801641     -1.05702043     -0.66705823      17      -1       0       0      69      0.16622499     -0.97539600     -0.63232583
 Cl              8.11467001      3.42267997      9.78140998     -1.23616797      0.83817200      2.01862828      17      -1       0      -1      70     -1.38168538      0.94829013      2.05951831
 Cl              2.78804001      5.05470003      3.26307002      2.99046458     -0.62267483      1.08701177      17       0       0       0      66      2.98562975     -0.65659445      1.08143552
 Cl              2.64329006      5.76441004     11.25219997     -0.79776410     -0.20881601     -0.58244849      17       0      -1      -1      63     -0.84525893     -0.30661666     -0.70870702
 Cl              2.87786000      8.17591001      2.16422003      0.15852626      0.70507171      0.16931630      17       0      -1       0      64      0.11552848      0.69251688      0.38092293
 Cl              3.50715004      2.39325995      6.47670996     -1.26379685     -0.67345261     -0.35766832      17       0       0      -1      68     -1.41120961     -0.78892721     -0.38938756
 Cl             11.30270000      9.20881998      7.72859994     -0.17015111     -0.08826614      0.20801569      17      -1      -1      -1      62     -0.12253332     -0.22913201      0.30233414
 Cl             11.38020255      1.93306999      9.88921996     -1.09968124     -0.09591453      0.07110502      17      -1       0      -1      66     -0.93460483     -0.13698736     -0.02019680
 Cl              8.06216005      0.38537395      8.76836005     -0.65104362     -1.55893288      0.05762210      17      -1       0      -1      62     -0.63267055     -1.55886926      0.04359798
 Cl              5.67582005      4.89665002      0.15303496      0.62979185      0.16512592      0.82223367      17       0       0       0      69      0.66756259      0.02805658      0.77391678
 Cl              8.67531996      8.61262995      5.46775999      0.06523692      1.22036348     -0.25794920      17      -1      -1       0      66      0.04021360      1.22722480     -0.11295738
 Cl             10.92100001      4.72005001     10.49289994     -0.12709316      1.96161625      0.05070797      17      -1       0      -1      65     -0.11605247      2.10512138      0.01805053
 Cl              0.09986454     10.29069997      2.96349004     -0.10163198      2.06437327      1.44532109      17       0      -1       0      65     -0.04198612      2.05857572      1.51859504
 Cl             10.36340001      1.81404004      5.03149999      0.08471530      0.40565426      0.40022525      17      -1       0       0      63      0.20221581      0.22033076      0.55660057
 Cl              2.40278998      1.93781002      1.45732003     -1.70782317     -0.57109263      0.34715677      17       0       0       0      66     -1.55413925     -0.30662194      0.40967447
 Cl              4.05343996      9.15011003     10.36440004     -0.34769144      0.42190919      0.36138304      17       0      -1      -1      59     -0.23485802      0.60571699      0.25864368
 Cl              7.36095997      5.52166996      4.41380997      0.27564035      0.55875728      2.28461882      17      -1       0       0      66      0.22259806      0.58609319      2.01484793
 Cl              3.20733997      7.76340997      7.23442000     -0.41981345     -1.11809465     -0.43394647      17       0      -1      -1      62     -0.47913443     -1.23475227     -0.65155555
 Cl              0.06611989      6.48275003      4.15753000     -0.35404467      1.98656647     -0.64338056      17       0      -1       0      59     -0.37749894      1.96299970     -0.54480876
 Cl              6.98901000      7.85188005      8.37007995      0.21652545     -0.35322304      0.02491711      17      -1      -1      -1      59      0.18862444     -0.46477496      0.03079634
 Cl              6.66099000      1.03711002      5.55823999      1.81098618      0.48003497     -0.61685163      17      -1       0       0      62      1.74208246      0.63261508     -0.63749189
 Cl              7.00413998      7.71370005      1.22300000     -0.79693568     -0.03634032      0.55248206      17      -1      -1       0      67     -0.76785568      0.05512453      0.48889097
 Cl              3.59531999     10.57270005      6.01131005     -0.56511101     -1.01339051     -1.32723062      17       0      -1      -1      66     -0.68440365     -0.92241104     -1.42715020
 Cl              7.15346005      3.06878005      2.65477004     -0.80905352      0.11745939     -0.29896040      17      -1       0       0      65     -1.17432409      0.15124046     -0.29655887
 Cl              4.85053003      4.63237005      7.71354000      0.69035980      0.99259635      0.35517235      17       0       0      -1      66      0.61111875      0.89924584      0.19551611
 Cl              5.13169998     11.46274445      1.22722997      0.23495719      0.19527716      0.80868730      17       0      -1       0      70      0.53918271      0.13340361      0.81992297
 64
 energy=-221.21199599478686 stress="-0.02251889      -0.00126431      -0.00395712      -0.00126431      -0.01691134      -0.00130498      -0.00395712      -0.00130498      -0.01679939" free_energy=-220.81627254 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.39357000      0.23436898      0.76112101     -1.64526390     -1.88260612      2.29328011       3      -1       0       0      64     -1.49478744     -2.11644698      2.31684803
 Li              3.73270001      9.83116003      5.70516998     -0.22295309      0.19585837     -0.09479852       3       0      -1       0      66     -0.21483283      0.23499484     -0.15247628
 Li              1.41436004      1.77388996     11.02099994      0.04577231     -0.56730577      0.08302660       3       0       0      -1      63      0.00343003     -0.44146348     -0.08097341
 Li              5.84667004      5.63450003      9.97842994     -0.19504479     -0.34772212      0.13246524       3      -1       0      -1      63     -0.16990951     -0.32140283      0.05662170
 Li              5.76833003      0.89550106      8.51175999     -0.08653837      0.03265291      0.51823273       3      -1       0      -1      63      0.07245022     -0.03062133      0.68861125
 Li              8.97756997      6.17902995      3.85709994      0.52640206     -0.71391230     -0.90783321       3      -1      -1       0      67      0.64955796     -0.64184641     -0.77452315
 Li              9.62590998      6.77855998      9.21830002      0.08375961     -0.51583792      0.11201130       3      -1      -1      -1      64      0.14118197     -0.28719085     -0.00800910
 Li              6.78149002      2.11908000      3.45863997     -0.76621583      0.32277109     -0.44561514       3      -1       0       0      67     -0.80191020      0.09495249     -0.46303127
 Li             10.65990000      9.54659998      2.80073005     -0.70955775      1.10527630      2.06819744       3      -1      -1       0      66     -0.89529213      1.01318062      2.13282904
 Li              0.34125998      6.15321996      5.05937000      0.85750465      0.14302210      0.71554887       3       0      -1       0      64      0.73166107     -0.02251146      0.72925578
 Li              5.57841001      8.38298999      0.38309497      0.28428285      0.51767490      0.16930734       3       0      -1       0      72      0.39452409      0.78857130      0.15815868
 Li              8.78126997      9.11050002      6.56480997     -0.29674554      0.07549175     -0.40564187       3      -1      -1      -1      67     -0.28262797      0.19508517     -0.43253983
 Li              2.51181001      4.20686000      8.40735996      0.52482032     -1.20632412      0.18682676       3       0       0      -1      66      0.52214507     -1.32821595     -0.11510739
 Li              5.08214001      3.26172996      0.24653097     -1.30890392      0.06250440      1.01667673       3       0       0       0      63     -1.26490825     -0.01301768      1.01925931
 Li              6.98563996      4.98642004      7.12037001     -0.34447957     -0.30202173     -0.68363635       3      -1       0      -1      61     -0.24250310     -0.46060176     -0.52503350
 Li             10.51640000      2.48886999      2.35537005     -1.30439879     -0.14697653     -0.12678228       3      -1       0       0      66     -1.38770911     -0.06269223     -0.11531584
 Li              4.06735003      6.77001003      6.15602997     -1.39367766      0.51589789     -1.22508309       3       0      -1      -1      66     -1.31454147      0.51986162     -1.07562285
 Li              1.59991996      8.05541000      8.64286000      0.33506388     -0.19533112      0.11291247       3       0      -1      -1      62      0.21086477     -0.10691585      0.03968006
 Li              9.10575003      2.97924001     10.45199998     -0.74599874     -0.37177864     -0.06776628       3      -1       0      -1      65     -0.83595844     -0.46270958     -0.25943335
 Li              4.54406999     10.91569996      2.36497998     -0.25507884      0.52920354     -0.59461849       3       0      -1       0      65      0.08884134      0.63251291     -0.44263414
 Li              5.39970997      9.14022002      8.46026004     -2.72259795     -0.53994289     -0.48728716       3       0      -1      -1      67     -2.72842657     -0.34281320     -0.41581236
 Li              2.37381997      8.24120000      2.80170004     -0.63788120      0.07112417      0.38362384       3       0      -1       0      69     -0.48561196      0.06538375      0.36500702
 Li             10.02089994      3.19590000      6.03204997     -0.09383258      0.05871103     -0.10382200       3      -1       0      -1      66     -0.08299187      0.12843628      0.08210385
 Li              0.97727794      0.58037104      4.13397996     -0.68911290     -0.50615014     -0.28651496       3       0       0       0      67     -0.54884178     -0.54469107     -0.29636513
 Li              2.23650002      4.00991994      2.40000003     -0.31034541      0.47486417     -0.02716435       3       0       0       0      65     -0.25423915      0.40408371      0.09801946
 Li             11.33599995      9.04608005     11.27979999      0.21434853      1.65283470     -2.52530033       3      -1      -1      -1      67      0.03558622      1.45356403     -2.62892041
 Li              7.30669002      8.98490001      3.23401999      0.37284522     -1.03862237      0.90272558       3      -1      -1       0      69      0.61187768     -0.83242086      0.74077704
 Li              5.32980996      5.64621997      3.20868003      0.01150622     -0.50460915      0.41623658       3       0       0       0      68     -0.16493448     -0.51233896      0.35372059
 Li              8.74761004     10.45719995      9.30281000      0.94572075      0.35968170      0.07854684       3      -1      -1      -1      60      0.73370878      0.50498190     -0.01465433
 Li              0.53443103     11.21530000      7.17682999      1.40664402     -0.06901832      0.18327732       3       0      -1      -1      62      1.23189749      0.05786995      0.00996092
 Li             10.55909997      6.19163000      1.24083005     -0.76728902      0.80039666     -1.04740851       3      -1      -1       0      66     -0.92771885      0.96579765     -1.05077454
 Li              2.77653996      3.26148004      5.72107002      0.01309749     -0.56303507     -0.42205319       3       0       0       0      66     -0.23450508     -0.50159593     -0.45462166
 Cl              1.18281999      8.92018999      4.77514998     -0.02795753     -0.46329058     -0.04004805      17       0      -1       0      65      0.06944352     -0.38387723     -0.24689976
 Cl              7.41868996      5.04566996      4.63910004     -1.64578298      0.00731057      0.07878503      17      -1       0       0      67     -1.68949543      0.03143510     -0.09440675
 Cl              9.04794999      5.10843999      7.58493004      0.57767064      0.17860627      0.61854792      17      -1       0      -1      68      0.37494094      0.13038851      0.64037493
 Cl              1.57849999      5.98073998      8.43943002     -0.04108940      1.24438668      0.36617632      17       0      -1      -1      66     -0.04735423      1.33316521      0.43714033
 Cl              8.73323005      7.71234004      1.00317999     -3.18436871     -0.89447070     -0.89378410      17      -1      -1       0      68     -3.15195195     -1.16476618     -0.84546598
 Cl             11.05870000      8.46124998      8.93813996     -1.71318962      0.35904740      0.22898305      17      -1      -1      -1      65     -1.63532469      0.34953131      0.25751293
 Cl              5.12347998      5.70469995      1.01842004     -0.04348448      0.80323381     -0.68879208      17       0       0       0      67      0.06084669      0.69645894     -0.48061635
 Cl              5.24436003      6.21176001      7.63049998      0.97555773     -0.74481675      1.99449865      17       0      -1      -1      60      1.01790948     -0.89347661      1.92283013
 Cl              6.46095001      3.44066994     10.24500002      1.49252192      0.56348246     -1.85743847      17      -1       0      -1      64      1.51252033      0.66940467     -1.96316933
 Cl              9.99810998     11.07489994      6.80101002     -1.38552339     -0.00584512      0.10007929      17      -1      -1      -1      65     -1.25787056      0.00692028      0.09799964
 Cl              0.62031202      3.86459999      6.74053996     -0.11038579     -1.03613542     -0.82641552      17       0       0      -1      61      0.11025655     -1.14225352     -0.94330912
 Cl             10.02849996      4.50796003      0.18943806      0.03389790     -1.15022166     -0.59829119      17      -1       0       0      64     -0.03214202     -1.05889559     -0.42643449
 Cl              2.87175997      5.30416001      4.49658998      0.26815312      1.33176770      0.55269783      17       0       0       0      68      0.34185976      1.34085586      0.56900870
 Cl              3.90807999      2.92547999      2.98548001      1.69671393     -0.60370636      0.20703161      17       0       0       0      64      1.67168092     -0.42071039      0.23915794
 Cl              8.72477996      2.26214000      4.27751000      1.08752739     -0.42868636      0.11939602      17      -1       0       0      68      1.14029302     -0.48932672     -0.07088213
 Cl              0.94869497      2.37136994      3.05128005      1.12800366      2.73263385      0.27615345      17       0       0       0      62      0.95826575      2.76279653      0.30270666
 Cl              2.48876004      0.59957405      5.44309998      0.95172485     -0.37817688      1.39933848      17       0       0       0      66      0.77607596     -0.74304424      1.56988800
 Cl              6.16585004      1.65214996      1.26660003     -0.59499229      1.43181191      1.61178057      17      -1       0       0      64     -0.56547436      1.67472715      1.65288019
 Cl              6.94578003      9.34032995      9.49721002      2.32746687     -0.35280291      2.24737046      17      -1      -1      -1      63      2.24759648     -0.40162701      1.96152691
 Cl             11.29659998      0.06301995      2.45271004     -1.54069743     -1.53555222     -0.95780976      17      -1       0       0      61     -1.55672076     -1.56862974     -0.68428714
 Cl              4.57687995     10.75190004     11.42669995     -1.54732507     -0.39882000     -1.10007071      17       0      -1      -1      61     -1.75760342     -0.30074122     -1.01532778
 Cl             11.14619997      8.23765995      1.50780998      4.29441613     -1.25256131      0.71557191      17      -1      -1       0      69      4.59319301     -1.23187428      0.87362161
 Cl              6.47836998     10.06000002      1.84562001      1.49666730      0.51626704     -0.49797058      17      -1      -1       0      73      1.58036436      0.31793198     -0.27865157
 Cl              4.46159000      8.84574004      3.40966996     -0.88692705     -0.78680512      0.88431318      17       0      -1       0      68     -1.23320907     -0.76046837      0.93351733
 Cl              8.56227998      0.56313197     10.90319999      3.16815026      1.27302008     -3.62917911      17      -1       0      -1      58      3.17388546      1.24935707     -3.71716661
 Cl              2.73351004      3.50623003     10.58269999      0.04553229     -0.16455917      0.45719432      17       0       0      -1      64      0.07604905     -0.26588357      0.44349916
 Cl              3.24231004      9.06755999      7.88949997      0.13375876      0.62384819     -0.38791559      17       0      -1      -1      70      0.06841797      0.62420606     -0.38399161
 Cl              4.52182997      2.30698001      7.49736002     -0.25004480      0.56047825     -0.37293057      17       0       0      -1      63     -0.23903752      0.41944117     -0.23171021
 Cl              6.14517994      9.23009000      6.60841997      0.83670653      0.59809670     -2.45396299      17      -1      -1      -1      66      0.91868537      0.56019800     -2.47218336
 Cl              8.86667003      8.13889999      4.38464003      0.70230344      1.39039913      1.12106272      17      -1      -1       0      69      0.61405716      1.49898484      1.24132760
 Cl              0.36644196     11.19359995     10.58569997      0.41968072      0.52809133     -0.43847690      17       0      -1      -1      65      0.51423069      0.59480115     -0.53019988
 Cl             11.19749999      5.77168000      3.06523999      0.20946305     -1.39280216      1.84253479      17      -1      -1       0      68      0.25013501     -1.46480902      1.75670582
 64
 energy=-220.78837175914165 stress="-0.01831038       0.00214123      -0.00008391       0.00214123      -0.03042539      -0.00871544      -0.00008391      -0.00871544      -0.01658497" free_energy=-220.40664569 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              4.44079001      3.33131997      3.97116999     -0.44454900     -0.09574089      0.41446118       3       0       0       0      70     -0.51697653     -0.09480689      0.27685663
 Li             10.04430003      0.69630495      4.60073001      0.12766962     -0.27989404      0.22026821       3      -1       0       0      67      0.34985836     -0.23822618      0.19481479
 Li              5.29001997     10.63259999      1.49374995     -1.89559195     -0.03024976     -0.52315582       3       0      -1       0      66     -1.85702938     -0.19787682     -0.51598460
 Li              1.60169005      9.99976004      1.31028995      3.68872523     -5.94717633     -1.51975719       3       0      -1       0      67      3.49264283     -5.25284038     -1.30975011
 Li              8.06137005      5.51980002      0.15432102      0.17073896      0.74453948      0.28796310       3      -1       0       0      67      0.00049794      0.71372001      0.15765595
 Li              9.74786000      0.73207304      0.41862805      1.12534488      0.26936531      0.70509932       3      -1       0       0      64      1.32220392      0.12962673      0.77296056
 Li              2.93553003      0.64214803      3.68232000     -0.85846450      1.22617650     -0.30420994       3       0       0       0      70     -0.91704496      1.15256382     -0.29617384
 Li              1.12086003      9.82137997      6.70927996      0.48446525     -0.61075569      1.57470827       3       0      -1      -1      64      0.62124926     -0.76987517      1.52660579
 Li              1.35967004      6.54715005      2.94861995      1.90732390     -0.05451906     -1.07714511       3       0      -1       0      69      1.88429399      0.11262145     -1.08199679
 Li              3.56389995      8.40092001      4.57071997      0.15471778      0.12445766      1.96160633       3       0      -1       0      70      0.07140058      0.07482850      1.88743867
 Li              0.87299003      2.01550998      1.59692996      0.95826373      1.48996002     -0.33619247       3       0       0       0      68      0.92113449      1.65924662     -0.49601734
 Li             10.58810001     11.40909999      9.20819002     -1.49252892     -1.13929555     -1.14948248       3      -1      -1      -1      64     -1.55797759     -1.13680215     -0.97663497
 Li              4.46709996      7.50356999     11.19990003     -0.21743413      0.85163772     -0.29146190       3       0      -1      -1      66     -0.19239635      0.70072355     -0.23018066
 Li              9.99039005      4.42263999      2.88397001      0.66316699     -0.13906113     -0.31368153       3      -1       0       0      64      0.76480655     -0.08305999     -0.19388127
 Li              7.09934005      1.94719995      2.21814995      0.05631300     -1.56835593     -0.35827056       3      -1       0       0      68      0.05247305     -1.33485037     -0.43349163
 Li              5.80299996      6.47964997      2.43303997     -1.11136714      0.33696848      1.62946472       3      -1      -1       0      63     -1.23307989      0.34230359      1.46004819
 Li              5.13287002      4.15238999     10.61110000     -0.22579887     -0.30394219     -0.49259851       3       0       0      -1      68      0.13449697     -0.02305443     -0.51266217
 Li              0.52755705      3.57545996      9.51912995     -0.21828065     -0.21194987      0.44424629       3       0       0      -1      64     -0.27974182     -0.30604790      0.35310994
 Li              7.85424994      8.90063995      4.01467005     -0.79366099     -1.71270401     -2.17529385       3      -1      -1       0      65     -0.79591844     -1.76244234     -2.21659660
 Li              8.33766997      2.75835004      7.53222003     -0.28940407     -0.29129291     -0.33360118       3      -1       0      -1      67     -0.26183048     -0.19671521     -0.28278678
 Li              5.80087001      7.71691004      7.49934999      0.27088540     -0.31524510     -0.18626953       3      -1      -1      -1      68      0.39628841     -0.51002624     -0.29014597
 Li              6.32608995      0.04157762      9.83671998     -0.39525034      0.35891402     -0.73394693       3      -1       0      -1      70     -0.39449262      0.23623316     -0.67187065
 Li              7.20021001      5.23579003      5.08082001     -0.14083357     -0.00291442      0.27707565       3      -1       0       0      64     -0.07126708     -0.07125237      0.33397811
 Li              1.28028001      2.36243996      6.27282003      0.09048400     -0.30281369     -0.05721415       3       0       0      -1      61     -0.03379382     -0.29027608     -0.08660513
 Li              9.30922999      7.58480004      8.59950003     -0.08699426      1.05779574      1.43816024       3      -1      -1      -1      67     -0.04813947      1.12674732      1.28283780
 Li              2.56994996      6.72173005      7.82781996      0.89529175     -0.55707765      1.62618587       3       0      -1      -1      64      0.68225099     -0.53860827      1.65970764
 Li              0.24710499      6.69439004     11.29870000      0.24436254      0.84964843     -0.77106039       3       0      -1      -1      67      0.48734231      0.92103803     -0.58441648
 Li             10.97410003      6.27767997      6.38441001      1.43709886     -0.05118475     -0.57646014       3      -1      -1      -1      63      1.43988567      0.02523920     -0.51191373
 Li              5.45455004     11.23829998      5.83513995     -0.35077724     -0.33560344     -0.25615970       3       0      -1      -1      65     -0.46603909     -0.11057073     -0.22426226
 Li              3.34987995     11.00969995      9.63540000     -0.02718104      0.63914071     -1.41059038       3       0      -1      -1      68      0.09216872      0.74879795     -1.38063606
 Li              4.70849000      2.07338006      7.43410999     -0.15426554     -0.45736143     -0.14072461       3       0       0      -1      71     -0.27828592     -0.44890124     -0.04299910
 Li              8.26687002      9.01194997      0.44569303     -1.72761797      1.55005087      0.76186030       3      -1      -1       0      61     -1.75646092      1.51068286      0.73258700
 Cl              3.46285000      1.47746999      5.63965999     -0.02439481      0.62211325     -0.21564568      17       0       0       0      63      0.14364596      0.83987079     -0.13415094
 Cl              0.80208196     11.44360002      1.64905999     -2.59717856      3.69671964      1.58902182      17       0      -1       0      64     -2.18070602      2.89682155      1.49601523
 Cl              3.33894005     10.32089997      0.01565195     -1.11459893      0.06156614      2.18725923      17       0      -1       0      67     -1.01368613      0.05618085      2.11180252
 Cl              1.51940999      7.84728998      6.60124998     -0.84573697     -0.58899011     -1.87620166      17       0      -1      -1      65     -0.88088694     -0.43910462     -1.89792913
 Cl              0.19800004      1.29232003     10.04220000      1.43062628      2.04421184      1.01550918      17       0       0      -1      65      1.24184895      2.02545757      1.06185246
 Cl              9.12299998      6.21365001      7.24131003     -1.12138375     -1.63221188     -1.14846161      17      -1      -1      -1      60     -0.77775197     -1.58748463     -1.06351351
 Cl              4.61325004      1.60113002      9.49392998     -0.49206185      0.53861857      1.48587690      17       0       0      -1      65     -0.38475451      0.44032117      1.23615163
 Cl              3.66599005     10.24870000      3.65409001      1.09620030      0.20407767     -0.32181762      17       0      -1       0      60      1.04226570      0.33726978     -0.41018737
 Cl              7.63748998      7.27495001      2.69819994      2.35363173     -0.55278263     -2.23004684      17      -1      -1       0      63      2.52350290     -0.39364386     -2.23290549
 Cl              6.34281003      7.42171996      5.03656996     -1.79831571     -0.18637132      2.34074618      17      -1      -1       0      67     -1.77017962     -0.14858869      2.56076080
 Cl              7.19507000     10.58349997      2.00350000      2.09204969      0.61271653      1.34447493      17      -1      -1       0      71      1.95630266      0.71950313      1.52772151
 Cl              0.73281295     11.39010001      5.70656003     -1.25752632      2.09184533     -1.69900415      17       0      -1       0      64     -1.40305529      1.94353078     -1.69725520
 Cl              9.44169000      7.65014001     11.14380004      0.50758637     -3.19169982      0.47309352      17      -1      -1      -1      67      0.21256961     -3.23420419      0.44986540
 Cl              3.42303994      7.39739001      2.88459997     -0.18449188     -1.74066270     -1.86899474      17       0      -1       0      62     -0.30752330     -1.88955010     -1.63072371
 Cl             11.26569996      4.77354005      0.48419696     -0.44643647     -0.82693087     -0.06747520      17      -1       0       0      64     -0.56224166     -0.74666279     -0.12230921
 Cl             10.37640004      1.86738001      2.28134003     -1.88301458      0.91189441      1.12435816      17      -1       0       0      64     -2.08990077      0.91632996      1.16268877
 Cl              2.39034998      3.59525005      2.45526004     -0.68112024      0.04889189      0.62325319      17       0       0       0      63     -0.53146982     -0.04082599      0.66995957
 Cl             10.52570005      2.64119003      6.67295997     -0.74659980      0.11812439     -0.03862779      17      -1       0      -1      66     -0.60537670     -0.14271012      0.14124500
 Cl              7.95864998      3.62402998      2.94038000     -0.10498780      1.93388333      1.03210916      17      -1       0       0      63      0.04561828      1.77220027      0.92043556
 Cl              1.34869001      4.96968001      8.05822001     -0.20975500     -0.82276183     -0.19893326      17       0       0      -1      66     -0.24132624     -0.72503984     -0.27950376
 Cl              5.48094999      3.75379004      6.54337004      0.70658866      1.33748902     -2.12835663      17       0       0      -1      63      0.56585554      0.93834197     -2.22524421
 Cl              6.09245996      5.65136995      8.61292000     -0.15600392      0.94662132      1.24876898      17      -1       0      -1      68     -0.37191113      1.28122979      1.26048596
 Cl             10.23470005      9.34282996      9.23017002      1.22668502      1.24102326     -1.55765921      17      -1      -1      -1      64      1.21508059      1.31725359     -1.64551303
 Cl              8.29021003      0.25781206     10.57179999      0.32951602      0.59606002     -0.64957694      17      -1       0      -1      62      0.23541526      0.68096600     -0.72801643
 Cl              5.08558996      2.48921002      2.03462001      0.09781091     -0.71866308     -0.51361437      17       0       0       0      65      0.19152332     -0.99178160     -0.30515688
 Cl              8.21245000     10.15020005      5.29449001      1.19787102      3.04063641      2.61739319      17      -1      -1       0      69      1.24671923      2.96185473      2.40366254
 Cl              6.63014994      0.91299796      7.23522995      1.23498194     -0.20589843      0.31649371      17      -1       0      -1      68      1.03276076     -0.12023550      0.25843411
 Cl             11.30560001      5.97634996      3.97119005     -2.04662440     -0.56785393      1.41740457      17      -1      -1       0      65     -2.18706820     -0.48531111      1.47219362
 Cl              5.63521002      5.83129002      0.56594898      0.21134874     -1.08565933     -1.52103631      17       0      -1       0      65      0.24920286     -1.01754466     -1.57846360
 Cl              3.43053002     10.17519998      7.56036003      0.74974911     -0.22864242     -0.14054110      17       0      -1      -1      68      0.72491921     -0.27584562     -0.04096381
 Cl              2.38674996      7.58552997     10.31820002     -0.44349585     -0.77598368     -0.08627340      17       0      -1      -1      65     -0.35587606     -0.96534323     -0.08296324
 Cl              5.92670997      9.67860004     10.88640001      1.07422934     -2.01289806     -0.88731931      17      -1      -1      -1      63      0.98396385     -2.01139537     -0.95807004
 64
 energy=-223.02854018970854 stress="-0.01559919      -0.00067742      -0.00568984      -0.00067742      -0.02072164      -0.00296063      -0.00568984      -0.00296063      -0.00721992" free_energy=-222.70702449 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              5.79600996      1.14602000      5.13170995      1.31386861     -1.15163811      0.02183398       3      -1       0       0      61      1.45292503     -1.03002121      0.07931626
 Li             10.89700000     10.37589997      0.82743797      0.50880624     -0.34549554     -0.20145771       3      -1      -1       0      70      0.37106301     -0.28759534     -0.40981678
 Li              1.76881999      0.98176701      1.59870005     -0.07528671     -0.39545651      0.95471631       3       0       0       0      63     -0.01333720     -0.37889727      0.69902976
 Li              1.73676999      9.86819997      7.57420005      1.08726305      0.84546647      0.79032216       3       0      -1      -1      64      0.87090436      0.89975550      0.79723641
 Li              8.55175004      6.27445002      7.48922004     -1.03577544      0.53713694     -1.39493771       3      -1      -1      -1      62     -0.88486488      0.51276130     -1.57257662
 Li              4.99959995      9.60493998      6.37118000     -0.33966198      0.34512040      0.91454688       3       0      -1      -1      72     -0.10500755      0.45145815      0.76158289
 Li              6.76535003      3.67124998      4.54832003      0.01282792      0.72473965     -1.60033562       3      -1       0       0      63     -0.09682826      0.67558673     -1.31118876
 Li              4.45627000     10.12569997      0.91687403     -0.22550568      0.68695379     -0.04403782       3       0      -1       0      62     -0.16703061      0.69135821     -0.03118028
 Li              4.15424996      3.92165003      7.09169005      0.44805289      0.23956814     -0.05332839       3       0       0      -1      70      0.50640025      0.36608934     -0.04163243
 Li              5.13614996      0.72589701      8.97923000     -0.16313192     -0.41617344     -0.04418387       3       0       0      -1      64      0.02983633     -0.20443314      0.04493733
 Li              3.49952997      7.34745998      9.82699001      0.40970556      0.05330660      0.25434642       3       0      -1      -1      67      0.23799001      0.02549308      0.22981723
 Li              5.31119002      7.51478997      3.37162999     -0.19386277     -0.84365746     -0.38070499       3       0      -1       0      72     -0.30195270     -0.90414376     -0.55894073
 Li              6.22951004      1.96521996      0.73513699     -0.31994162     -0.09232533      0.51136074       3      -1       0       0      70     -0.18862595     -0.20781424      0.63657557
 Li              2.04004996      8.22471999      3.05128005      0.37223684     -0.45821521     -0.16519251       3       0      -1       0      67      0.38024111     -0.31705905     -0.23235365
 Li              9.22607005      5.57363995      2.13338995     -0.15352429      0.85194287      0.00847505       3      -1       0       0      71     -0.09369789      0.80184853      0.12509517
 Li             10.03600000      3.85510997      5.79316005      0.22763847     -0.67550381      1.02260374       3      -1       0      -1      68      0.21632438     -0.46569932      0.99949707
 Li              3.06730998      4.51560005      1.67930999      0.49734407      0.08288497      0.08819026       3       0       0       0      63      0.40312912      0.06383658      0.07902962
 Li              2.75459996      1.52468001      4.32742995      0.77125519     -0.38459018      0.32886327       3       0       0       0      60      0.91627041     -0.15851558      0.30656362
 Li              8.00910004      9.48701002      3.21762997      0.29933341     -0.00536398      0.17554561       3      -1      -1       0      68      0.30527621      0.06376222      0.12688546
 Li              3.48087999      3.19096004     10.41989999      1.60889153     -0.80941630      0.17633833       3       0       0      -1      65      1.53656807     -0.70159741      0.06757036
 Li             10.97399995      1.52516999      9.29299004      0.14027610     -0.81830284      0.48885354       3      -1       0      -1      66      0.07618173     -0.57366232      0.46317712
 Li              0.33467604     10.60040004      4.75681000      1.88808292     -0.44292503     -0.98631995       3       0      -1       0      62      1.88103576     -0.58703874     -0.83683831
 Li              3.18315997      6.03850000      5.64084001      0.30879556      0.53065960      0.30736428       3       0      -1       0      71      0.34437339      0.27695701      0.53652122
 Li              6.81162996      8.79739999     10.32480001      0.49752592      2.48177803      0.03060324       3      -1      -1      -1      62      0.39925116      2.51074519      0.22064359
 Li             11.27270005      7.64448996      5.44273003     -1.04780887     -2.38487838     -3.05649212       3      -1      -1       0      64     -0.95083633     -2.21338598     -2.98753108
 Li              7.51755000      3.45251002      8.43483995      0.23432932     -0.36420627     -0.09772337       3      -1       0      -1      67      0.10731343     -0.27860958     -0.19372034
 Li              7.67375001      5.65825998     10.95190003      0.90685179     -0.89330653      0.39714798       3      -1       0      -1      61      1.04940508     -1.02002273      0.36146943
 Li              9.15521003     10.22600004      7.20267002     -0.00279295      0.71646963     -0.00617532       3      -1      -1      -1      65     -0.01424468      0.34748370     -0.13629036
 Li              0.72149197      5.01663002      8.14988002     -0.88817899      0.05773375     -0.22285426       3       0       0      -1      69     -0.89948118     -0.14398470     -0.13691694
 Li             10.77759998      8.37516998      9.44556000     -0.79282737      0.48001337     -2.06277660       3      -1      -1      -1      60     -0.62391311      0.80463744     -1.97601269
 Li             11.33629997      5.08641000     11.38807691      0.41800858      0.52402210     -0.22533780       3      -1       0      -1      62      0.37568613      0.56095604     -0.12148240
 Li              9.62409002      1.80822995      3.08492003      0.12149184      0.22387738      0.27670026       3      -1       0       0      69     -0.16553117      0.21030150      0.09087207
 Cl              5.41900997      4.15743003      0.85024398      0.13228088      0.11299470     -0.04415445      17       0       0       0      60     -0.03213947      0.06364121     -0.01150971
 Cl              3.83990994      1.26510005      1.17955003      0.32523491      0.27551802     -0.36871712      17       0       0       0      64      0.28600681      0.33513686     -0.37760995
 Cl             10.97770005     10.45290004      9.36487004     -0.21584960      0.90048123     -0.11218025      17      -1      -1      -1      72     -0.04490141      0.80313521     -0.03943755
 Cl             10.03099997     11.10130012      5.42435003     -1.86208684      1.17039488     -0.22772542      17      -1      -1       0      66     -1.84154650      1.19176051     -0.27107424
 Cl              7.04383001     10.17150000      6.01933998     -0.22441076      0.52658440     -0.36458416      17      -1      -1      -1      68     -0.45858387      0.54637328     -0.40905763
 Cl             11.23139998      7.34269003     10.99579997      0.68344217     -1.39553467      1.69930699      17      -1      -1      -1      64      0.56878131     -1.43744759      1.61008178
 Cl              2.73953005      5.64655002      8.05484997      1.06366426      0.36574582     -0.28420664      17       0       0      -1      66      1.15421775      0.32052154     -0.40865716
 Cl              2.65728003      5.32015005      3.75820998     -1.17533858     -0.03957918     -1.47472020      17       0       0       0      67     -1.10643503     -0.03495197     -1.56866822
 Cl              4.42466000      2.60299999      5.35961996     -2.81769578     -0.29820036     -1.17642194      17       0       0       0      69     -3.01913306     -0.57942618     -1.07104500
 Cl              0.38733102      0.95270197      0.01421995     -0.60564086      0.35207001      0.10394275      17       0       0       0      59     -0.48273660      0.22577896      0.20442029
 Cl              9.05763995      8.19489004      7.71129002     -0.72163843     -0.01891635      0.90809246      17      -1      -1      -1      68     -0.76072950     -0.06505989      0.97307660
 Cl              1.99157004      4.39946999     10.94259997     -1.25594766      0.77360406      0.57061572      17       0       0      -1      69     -1.17254986      0.77173817      0.64968269
 Cl              0.74638998      1.51760999      3.88864001     -1.45434229      0.81811561     -0.57322405      17       0       0       0      66     -1.37650537      0.74778513     -0.52326452
 Cl              3.68947004      8.15904995      1.34583002      0.32359431     -1.09824792     -0.39495995      17       0      -1       0      64      0.24403924     -1.17074346     -0.30517754
 Cl              9.63412001      2.52088995      7.99500998      1.23064091     -3.49722855     -1.13195585      17      -1       0      -1      63      1.16814295     -3.48901644     -1.18999882
 Cl             11.28459997      8.73509999      2.99224004     -1.38386561     -0.63279812      0.20173171      17      -1      -1       0      60     -1.28002110     -0.46942759      0.35363787
 Cl              9.25322996      4.66105999      4.06630999     -1.11055080     -0.26605366     -0.54190629      17      -1       0       0      68     -1.32675571     -0.37093785     -0.53344877
 Cl              3.16999004     11.38039997      6.71255003      0.08847738      0.20889295      0.08851641      17       0      -1      -1      70     -0.03057400     -0.06194591      0.13568514
 Cl              5.35436003      5.37930000      5.02775003      0.88764372      1.56372956      0.21714150      17       0       0       0      64      0.98678176      1.88752022      0.07261211
 Cl              2.22165000     10.35009995      3.03397002      0.43582567      1.91522694     -0.15612126      17       0      -1       0      65      0.35417299      1.80180292      0.03222186
 Cl              6.85903005      3.01256999      6.41798005      2.23634479     -0.86129764      1.16038117      17      -1       0      -1      64      2.34000163     -0.96841792      1.10160606
 Cl              4.19160998      9.50929005      9.21861002     -0.10023068     -0.10351455     -0.13264087      17       0      -1      -1      72     -0.08175672     -0.13162722     -0.10539154
 Cl              7.28775997      1.40436995      2.88358996      0.25596430      0.02094559      0.31068650      17      -1       0       0      69      0.40720790      0.13784673      0.36997743
 Cl              9.14520996      4.85674000      8.63947999      0.04502617      2.46182820      2.74496826      17      -1       0      -1      67      0.23532424      2.52382683      2.78557254
 Cl              6.25136004      6.97759994     10.41660000     -1.86203824     -1.66970818     -0.89912407      17      -1      -1      -1      66     -1.72570428     -1.69092863     -0.98700766
 Cl              4.16883997      8.72331001      4.69641995     -0.42004783     -0.71181531      0.02400401      17       0      -1       0      64     -0.33144582     -0.85388786      0.08034731
 Cl              6.37055003     11.06990003     11.41740001      0.45090322     -0.06383605     -0.60014510      17      -1      -1      -1      64      0.51816261     -0.19141660     -0.76305146
 Cl              0.22412599      8.84122002      6.74284003      1.66749500      1.61640162      1.74763711      17       0      -1      -1      60      1.50491079      1.59317047      1.63341704
 Cl              8.07743999      7.83236005      1.44392998     -0.02510077      0.16779023      0.86821897      17      -1      -1       0      66      0.05257515      0.16445878      0.97982398
 Cl              0.07771991      5.49730997      5.96654995      0.32539823     -0.17741344      0.69842741      17       0       0      -1      65      0.17597642     -0.02075275      0.75053096
 Cl              9.73063996      4.01754002      0.72458595     -0.77344219     -0.55712114     -0.15416559      17      -1       0       0      62     -0.92469016     -0.40656168     -0.21489768
 Cl              5.34135002      3.20813995      8.93891999     -0.97799621     -0.75927744      1.08732820      17       0       0      -1      61     -0.95491656     -0.96249743      0.96726498
 64
 energy=-223.15434520328839 stress="-0.01835673      -0.00230297      -0.00265104      -0.00230297      -0.01668837      -0.00033603      -0.00265104      -0.00033603      -0.02668263" free_energy=-223.15110050 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              1.66765999      9.56685999      9.32966003     -0.93857581      0.77883783     -1.26071013       3       0      -1      -1      62     -0.94369988      0.80198900     -1.22568638
 Li             10.21969996      7.49433999     11.04319995     -0.38369487      0.21103425      0.18183716       3      -1      -1      -1      64     -0.32743771      0.25137166      0.22324263
 Li             10.08279995      1.30335004      4.08132005     -0.58234928      1.24389209     -3.31445135       3      -1       0       0      63     -0.67272504      1.31421031     -3.21733251
 Li              8.44075001     10.38990004      1.52559004     -0.66269113     -0.73121501      0.50826113       3      -1      -1       0      69     -0.47141349     -0.84209222      0.40069550
 Li              3.22843001      1.74790995      2.97866003     -2.16239223     -2.14157465     -1.91426177       3       0       0       0      63     -1.78913604     -2.05617577     -1.97439953
 Li              2.98998995      0.50092805      0.07277491      0.60268911     -0.22491610     -2.20587379       3       0       0       0      67      0.67204779      0.02629580     -2.47383714
 Li              3.81896000     10.03909994      5.86655999      0.22200662     -0.51393165     -0.78670217       3       0      -1      -1      62      0.12573855     -0.78375384     -0.73990628
 Li              8.07365001      0.05991474      6.60760005      0.03839062      0.27567646     -2.81564089       3      -1       0      -1      60     -0.03266966      0.26526661     -2.66180054
 Li              9.08561004      3.46035996      6.17725998      0.03745840     -0.04026500     -2.13305275       3      -1       0      -1      61      0.03042871     -0.11029085     -2.13930294
 Li              3.59566002      8.66419995      0.82546703      0.77159035     -1.22708853      1.53383102       3       0      -1       0      68      0.89035759     -1.32231617      1.53696297
 Li              1.48683997      5.42867000      2.66901005      0.29670862     -0.01674597      0.14977120       3       0       0       0      69      0.17885250      0.12155216      0.09987136
 Li              9.68666000      7.79314005      3.63757996      0.30842819     -0.46494941     -0.45310999       3      -1      -1       0      70      0.34545785     -0.42790650     -0.59234606
 Li              5.98794998      1.91640999      3.78980003     -0.52550309     -0.23590271     -0.41942088       3      -1       0       0      69     -0.70858816     -0.09530354     -0.80966660
 Li              8.79412005      4.52207003      9.80892999      0.83402605      0.76404712      0.44300349       3      -1       0      -1      65      0.92948867      0.71269962      0.30292074
 Li              2.81265003      1.48199998      8.59734004     -1.39884462      0.43853567     -0.25340153       3       0       0      -1      67     -1.09448298      0.24556728     -0.09750184
 Li              0.17062494     10.60969998      1.92771996      1.50460857      0.90209008      0.17380897       3       0      -1       0      69      1.46044402      0.84660549      0.12599502
 Li              6.43800001      2.04038001      8.45381998      0.61707124      0.44299680     -0.35276743       3      -1       0      -1      71      0.50312168      0.32741734     -0.08325860
 Li              4.69301002      4.45416000      0.90464600      0.74150921     -1.66655358     -0.43230770       3       0       0       0      63      0.87063274     -1.55975925     -0.36050609
 Li              4.67933004      6.73582997      9.17694000     -0.20457321      0.08613567      0.39145833       3       0      -1      -1      63     -0.16984902      0.33452852      0.49120969
 Li              4.54913995      5.56787995      4.28467001     -0.11563854     -0.28636187     -0.28744772       3       0       0       0      68     -0.01900085     -0.25100517     -0.29825619
 Li              0.80569103     10.71520002      5.73151994     -0.90863513      1.41011806      1.41458046       3       0      -1       0      65     -1.03296332      1.45179555      1.39800680
 Li              0.12941991      2.00353003      0.72413804      0.16704518     -0.09201190      0.39537275       3       0       0       0      65      0.32741171     -0.17369449      0.24913724
 Li              1.00971005      2.97498997      5.43816002      0.08521785      0.74930510      0.81907769       3       0       0       0      65     -0.06945289      0.71771283      0.75015721
 Li             10.24009996      1.28055000      9.48491997      0.27082393      0.28049323     -0.27238216       3      -1       0      -1      63      0.22888837      0.28307081     -0.34342056
 Li              6.42408994      1.47808000     11.33709995     -0.54860660     -0.31219311     -2.21704564       3      -1       0      -1      68     -0.63776674     -0.41309487     -2.26175950
 Li              9.96167994      7.93332997      7.27230004     -0.16450717     -0.16575041     -0.36862651       3      -1      -1      -1      67     -0.07958751     -0.32704316     -0.23083417
 Li              6.67612996      7.79236003      5.54372002     -2.38982330      0.64122288     -0.33564600       3      -1      -1       0      64     -2.31681677      0.42922467     -0.22683771
 Li              7.53228997      6.46609999      1.27246997     -0.64166863      0.36312232     -0.55400471       3      -1      -1       0      58     -0.73535260      0.35071837     -0.29370939
 Li              1.38470000      4.62948999      9.55297996     -1.71810379     -3.03180293      0.51186850       3       0       0      -1      68     -1.79430140     -3.08290973      0.34829027
 Li              2.18784998      6.71797000      6.88327001     -0.34761658     -0.02848105     -0.21937240       3       0      -1      -1      64     -0.31673553      0.08914728     -0.01084117
 Li              8.53531003      3.38059998      1.93604004     -0.40214036      0.16369353     -0.67950310       3      -1       0       0      63     -0.47025803      0.23367335     -0.38718031
 Li              7.49282005      9.47293005      9.33608002     -0.69634645     -0.48548413      0.04790697       3      -1      -1      -1      64     -0.66336086     -0.48566167      0.17122071
 Cl              5.75704000      8.09883004     10.66280000      0.29704617     -0.55655256     -0.42784237      17      -1      -1      -1      65      0.44141091     -0.61754028     -0.42332847
 Cl             10.25859998      0.65419802      5.80201999      0.31429292     -1.96402077      3.87826552      17      -1       0      -1      63      0.48414626     -2.05793390      3.78016994
 Cl              7.37040997      2.20992995      5.18594999     -0.30653498     -0.46901993      2.18525171      17      -1       0       0      67     -0.41318029     -0.57863351      2.16887401
 Cl              9.85614998      0.34185899      1.66665996      0.21726719      3.38445368     -0.09560389      17      -1       0       0      69      0.05833285      3.66805027      0.04238443
 Cl              8.58321995      7.56748003      5.42278000      2.35047044     -0.50900472      0.70461938      17      -1      -1       0      64      2.12983340     -0.34895206      0.61064932
 Cl              7.95436005      0.03834206      8.54630004     -0.03209745      0.28798939      2.21998582      17      -1       0      -1      62      0.06346106      0.40740024      2.05225350
 Cl              1.64056003      9.51458999      4.47182003      1.11358964     -1.40094337     -0.89877575      17       0      -1       0      66      1.24317098     -1.22321840     -0.65821815
 Cl             10.98259999      3.29683003     10.46879996     -0.91751088      1.31304087      1.17442601      17      -1       0      -1      71     -0.84499176      1.15927275      1.22487683
 Cl              0.96143798      0.77393796     10.53700005     -0.39159387     -1.31399085     -1.22987659      17       0       0      -1      71     -0.38907037     -1.21139685     -0.95081115
 Cl              9.46187000      6.76003003      9.02685996     -0.82237803     -0.64722816      0.67188348      17      -1      -1      -1      65     -0.94129181     -0.54290309      0.50808289
 Cl              4.12684001      3.12450000      3.87281999      1.06175491      2.43084144      1.80624767      17       0       0       0      66      0.98772294      2.35417604      1.86068776
 Cl              4.67947001      1.28981004      9.45858996      1.71290184     -0.03352655      0.78548432      17       0       0      -1      66      1.69551160      0.28081132      0.68824510
 Cl              8.55221996      9.40907997     11.14729997      0.46034930     -0.29274331     -0.39022021      17      -1      -1      -1      71      0.53555672     -0.39674745     -0.51882072
 Cl              8.91922000      3.33483996      8.12435996     -0.34031143     -1.03889112      0.46362498      17      -1       0      -1      66     -0.51485505     -1.09469470      0.68506201
 Cl              4.38531000      7.18862994      5.88927004      0.01870147      0.16022268      0.59551394      17       0      -1      -1      65     -0.06450450      0.16516236      0.62538795
 Cl              6.28829004      6.05484004      2.98116004      0.65150200      0.03128390      0.75951151      17      -1      -1       0      58      0.55118204      0.15078964      0.64868114
 Cl              6.47883005      2.22132006      1.65860000      0.53421639      0.41279351      1.49843464      17      -1       0       0      69      0.58975251      0.43318497      1.53544907
 Cl              0.38900205      8.38342002      8.16211000      0.20780699      0.62449926     -0.92914209      17       0      -1      -1      62      0.23075070      0.69686656     -0.90192420
 Cl              9.41289999      5.63445005      1.72212002      0.91990300      0.67253299     -0.93042435      17      -1       0       0      67      0.84649161      0.57141865     -1.11327435
 Cl              3.29845005      2.52126999      0.41456602      0.05357349      2.06579642      0.85479598      17       0       0       0      63      0.01404413      1.87079589      0.96157090
 Cl              0.78251301      1.76047996      3.75169002      0.95271490     -0.07714687     -0.93315814      17       0       0       0      69      0.90873911     -0.09196833     -0.80475277
 Cl              3.04493996      9.56364002     10.67000003      0.62323314      0.75257478     -0.23255978      17       0      -1      -1      67      0.52433234      0.85143512     -0.12659135
 Cl              9.43953999      3.47103997      3.75819003      1.45162306      0.38391341      0.85500960      17      -1       0       0      68      1.54026824      0.14681755      0.70829474
 Cl              6.64727999     10.30559998      5.09647002     -0.53885989     -0.30836446      0.14862826      17      -1      -1       0      61     -0.57195531     -0.22704804      0.13354020
 Cl              2.30609004     11.29760000      1.74115003     -0.03628823     -1.25654032      2.66121720      17       0      -1       0      65     -0.12961667     -1.19459671      2.69952526
 Cl              1.01780005      3.18152998      7.83058996      0.76888389     -0.55015007     -0.86050528      17       0       0      -1      63      0.97291145     -0.59264932     -0.86774429
 Cl              6.78421004      4.14390998     10.33390001     -1.13542101     -0.13001512      0.62489153      17      -1       0      -1      66     -1.11920240     -0.06209948      0.45498585
 Cl              3.79966998      6.16093003      1.42018000     -2.40270547      1.48077125      0.28823362      17       0      -1       0      64     -2.33961196      1.33454241      0.15806375
 Cl             10.35250000      9.09899000      2.04812998     -0.24177810     -2.88380651      0.61740972      17      -1      -1       0      61     -0.49194395     -2.97272079      0.74626673
 Cl              1.19133004      5.32201998      4.95113998      0.20463834      0.32310819     -0.18821981      17       0       0       0      63      0.33982920      0.27935356     -0.32114261
 Cl              3.14134997     10.98199995      7.61963998     -0.89391446     -0.39347856     -0.50459214      17       0      -1      -1      65     -0.96561449     -0.46884015     -0.72341577
 Cl              2.28373997      6.21643996      9.19159994      2.43906160      2.41562837     -0.46756348      17       0      -1      -1      63      2.41111881      2.44002630     -0.55235419
 64
 energy=-223.09393279097455 stress="-0.01701462       0.00075834       0.00970503       0.00075834      -0.02149124       0.00579903       0.00970503       0.00579903      -0.02428537" free_energy=-223.01405904 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.95016206      9.55537003      9.66556997     -0.60183864      1.05257405     -1.19974446       3       0      -1      -1      63     -0.53309515      0.84985990     -1.31326654
 Li              7.84182003      7.06279995      6.54079998      0.70043097      0.16216357      0.15336311       3      -1      -1      -1      66      0.94472139      0.10568223      0.02213030
 Li             11.25860001      7.97498005      1.29073005     -0.74226898     -0.13222523      1.02190461       3      -1      -1       0      60     -0.75494916     -0.27160678      1.15358983
 Li              5.42448004      4.11893997      5.16241004     -0.07689386      0.11940195      0.40419290       3       0       0       0      67     -0.11283096      0.04757780      0.38558966
 Li             10.78969995      1.25293002      5.73300995     -0.05606094      0.02170107     -0.25552985       3      -1       0      -1      66      0.25644831     -0.03811897     -0.35049702
 Li              5.70644997      1.49351998      6.80976002     -0.39324980      0.08521921      0.77669130       3       0       0      -1      65     -0.40763557      0.21325977      0.83492963
 Li              3.35888996      6.46434000     10.87970005      0.02230129      0.00699431     -0.35460472       3       0      -1      -1      68     -0.00099570     -0.07597309     -0.49027409
 Li              6.88876003      8.85327001      0.38227802      0.15560511     -0.32251595      2.74453276       3      -1      -1       0      64      0.39736043     -0.36435736      2.61897097
 Li              8.39463999      1.66462998     10.93279996     -0.09694868      0.33982042     -0.54485477       3      -1       0      -1      68     -0.08108480      0.45951723     -0.29424491
 Li              4.94813003     10.11390002      8.62264996      0.64555947     -0.56167220      1.00854910       3       0      -1      -1      66      0.48293897     -0.54372866      0.99013393
 Li              9.36091005      5.77089997      9.98122998     -2.30547654      4.84589001     -0.45045197       3      -1      -1      -1      61     -2.64415758      4.55125778     -0.17480055
 Li              2.44807996      6.07484005      2.94851998      2.42976989     -0.07967841     -0.09424347       3       0      -1       0      63      2.45946800      0.04437318      0.12171659
 Li             10.36840004      5.14854995      4.76535994      0.40985101      0.89779272     -1.09773309       3      -1       0       0      67      0.32001671      0.84573932     -1.30305192
 Li             10.57009995      9.28983002      6.49107000      0.10424542      0.73691561      0.51503120       3      -1      -1      -1      65      0.07222810      0.64806281      0.64096663
 Li              2.42678999      2.56624998      4.22026002      0.81726759      1.02985015     -2.22589499       3       0       0       0      63      0.71832425      1.10159985     -2.12155644
 Li              5.12993998      9.34790004      4.99412999     -0.01290875     -0.01461969      0.04274376       3       0      -1       0      67     -0.25460798      0.06614742      0.11870895
 Li              1.16280003     10.07579997      3.84134000     -1.99350456     -0.46046802      1.97768935       3       0      -1       0      69     -2.05715501     -0.28583100      1.92634762
 Li              2.30492997      7.44193997      6.00100997     -0.23777841     -0.03841929      0.09181492       3       0      -1      -1      70     -0.01932534     -0.04614434      0.03224726
 Li              5.31422003      4.46434005      8.61357002      0.78549612      0.10603632     -2.21010482       3       0       0      -1      61      0.72133203      0.15969768     -2.27419064
 Li              2.16222995      0.55559100      7.90820004     -0.33340285     -0.38722602     -0.18226297       3       0       0      -1      67     -0.43445370     -0.32476282     -0.26234233
 Li              8.55258005      3.16962994      7.51957998     -0.92759551     -0.13755114      0.89393803       3      -1       0      -1      68     -0.86129982     -0.09861464      1.11573410
 Li              1.82285997      3.77060000      6.91867997     -1.14763165      1.03373442      0.13260140       3       0       0      -1      67     -0.86604901      1.16085585      0.31012541
 Li              7.16807999      0.53343903      2.93545999     -0.05608638     -0.15667915     -0.17814758       3      -1       0       0      64     -0.14726866      0.07493488     -0.19455011
 Li              7.00603996      3.69521995      2.74507005     -0.05577023     -1.47005470     -0.40952014       3      -1       0       0      66     -0.13242973     -1.66102553     -0.37118515
 Li              7.94216996      7.57465002      2.98309006     -0.35326884      0.54720321      1.23411226       3      -1      -1       0      70     -0.20110801      0.73940222      1.18158384
 Li             10.81699996      1.57065005      2.21242997      0.34831164     -0.07625445      0.63941392       3      -1       0       0      67      0.16622814      0.08770422      0.53677900
 Li              4.17261000      8.96926995      2.22477998      0.08499913     -0.21141556     -0.66012488       3       0      -1       0      66      0.25660239     -0.26708974     -0.51889116
 Li              0.85490696      4.86562997      9.86479004      0.33061494      0.20141545      0.10635943       3       0       0      -1      69      0.45002221      0.36296801      0.19824552
 Li              0.28654303      4.61115001      1.58271999     -0.90375777     -2.17427384     -0.00585625       3       0       0       0      65     -0.86942305     -2.24192107     -0.20017360
 Li              4.09272002      3.70282994      0.77476797     -1.25606244      0.41831194      0.22010150       3       0       0       0      65     -1.26698277      0.31724745      0.08188728
 Li              2.77081997      0.51512301      1.26555002      0.09208085      0.45775224     -1.16935888       3       0       0       0      69      0.03172084      0.67481090     -1.05972203
 Li              8.68379000      9.57042997      9.78064004      0.09171393      0.29193143     -0.12049256       3      -1      -1      -1      63      0.00505857      0.34200239     -0.18006900
 Cl              9.58737005      8.28205996      8.42642998     -0.44564820     -2.45741099      0.27780083      17      -1      -1      -1      61     -0.43217858     -2.45256553      0.37341375
 Cl              1.88875000      5.20568001      0.44430803      1.51932297     -0.86389552     -1.91886740      17       0       0       0      66      1.44970779     -0.92473022     -1.96618351
 Cl              5.99936003     10.31310002      1.83753998      0.26606851      0.42269805      0.34445134      17      -1      -1       0      63      0.23397596      0.32274028      0.15714425
 Cl              1.31822002     10.17669997      6.20832004     -0.91094414     -0.91585976      0.04049849      17       0      -1      -1      66     -1.00191361     -1.11747898     -0.07181045
 Cl              3.80449999      3.59117003      7.04097999      3.03574266     -1.73769671      0.48261061      17       0       0      -1      70      2.99396852     -1.82744163      0.13640483
 Cl             10.53300005     10.92100001      8.56997997      0.04470771      1.55298390      0.22869247      17      -1      -1      -1      65      0.02730822      1.52907755      0.11993138
 Cl              4.59343999      4.29662004     10.37420005     -0.16996575      0.11987134      0.91843357      17       0       0      -1      62     -0.24004311      0.16161752      1.07166903
 Cl             10.19049998      4.20519000     10.03010003      2.01273590     -4.35019459      0.37957315      17      -1       0      -1      64      1.98865573     -4.17349419      0.38003751
 Cl              0.61424604      6.28404998      2.53647002     -3.58135898      3.12178491      2.13889685      17       0      -1       0      61     -3.46198258      3.28618418      2.23789879
 Cl              1.90674996     11.33860005     10.51279999      0.93873986      0.59704665     -0.64624997      17       0      -1      -1      67      0.89046214      0.36324358     -0.55707739
 Cl              7.31491002      2.15028004      8.75818997     -0.97844256     -1.26513745      1.06046210      17      -1       0      -1      65     -1.00503907     -1.40832101      1.04732613
 Cl              3.38173999      7.88764998      3.98564995      0.33900703      1.18000342      0.77721290      17       0      -1       0      67      0.21483716      1.14210343      0.59216538
 Cl              4.03653003     10.48710005      6.80506998      1.20316510      0.72510312      0.03842504      17       0      -1      -1      71      1.37690859      0.44567334      0.12325682
 Cl              6.48724001      1.41801004      4.87967005      0.28285977      0.43233585     -0.16150643      17      -1       0       0      63      0.37144512      0.51402093     -0.26162239
 Cl              1.49899005      2.23564995      1.59577001      0.58286272     -0.37523095     -0.69958536      17       0       0       0      67      0.53093612     -0.45224072     -0.53664326
 Cl              7.32050998      8.85226998      5.34376004     -0.64870330      0.20296163     -0.50124983      17      -1      -1       0      62     -0.79505199      0.10625988     -0.41639001
 Cl              6.48649999      8.70634998     10.00409996     -0.38914738      0.76026699     -3.46736194      17      -1      -1      -1      61     -0.50422183      0.95497725     -3.58514791
 Cl              2.14753996      5.69197001      8.22503995     -0.67281410      1.01341078     -0.02481694      17       0       0      -1      65     -0.69376103      1.03284397     -0.05695569
 Cl              2.59566996     10.52349994      2.68128004      1.61121166      0.49572072     -1.06887045      17       0      -1       0      63      1.66234419      0.34415062     -1.10579801
 Cl              6.97863998      5.05229001      7.08026005     -0.82028234      0.24068740      0.00326861      17      -1       0      -1      64     -0.90071060      0.24564143     -0.04222226
 Cl              8.62304995      1.93025001      1.66005000     -0.05497230     -0.03400473     -0.14403037      17      -1       0       0      65     -0.15107455     -0.24278301     -0.07446042
 Cl              7.77302999      5.48393999      2.93900004      0.50602170      0.52320817      0.61751109      17      -1       0       0      64      0.40572917      0.49301436      0.80197084
 Cl              9.71870003      4.01516004      6.30347001      1.82969632     -0.31520669     -0.44633324      17      -1       0      -1      62      1.95484519     -0.31281699     -0.42897168
 Cl             10.57109998     11.19649996      3.97648999     -0.33519711      0.23093484     -0.36817596      17      -1      -1       0      66     -0.30501950      0.10869171     -0.31807072
 Cl              8.98037998      8.03774996      1.25426000      0.36746579      0.61703809     -1.27425485      17      -1      -1       0      68      0.45329392      0.75355735     -1.16115227
 Cl              5.22463998      2.67354005      2.09170995      0.06939637     -0.85760889      0.73695063      17       0       0       0      74      0.06387751     -0.67053071      0.64820262
 Cl              0.07011989      3.38718002      3.73991998     -1.24438931      0.78887959     -0.25455655      17       0       0       0      65     -1.19225965      0.82785320     -0.32741572
 Cl              4.90329002      7.26478005      0.73456905     -0.15562950      0.01316108      0.76757538      17       0      -1       0      62     -0.21035452      0.13578065      0.89454679
 Cl              1.46197005      2.01880997      5.80442004     -0.79497974     -2.06938902      2.69680365      17       0       0      -1      66     -0.70779551     -2.02330638      2.78861702
 Cl              0.93008902      8.22278998     11.13810000      0.77836098     -0.95336160     -0.24816376      17       0      -1      -1      58      0.84249782     -0.93107266     -0.50898746
 Cl              3.50096999      5.15460997      4.53584998      0.04814259     -1.71464768      0.03123576      17       0       0       0      65      0.01619245     -1.67569054      0.04214017
 Cl             10.24420004      7.44729001      5.54254000      0.29922455     -1.26010631     -1.12049356      17      -1      -1       0      67      0.48680218     -1.18848559     -1.15668721
 64
 energy=-223.88599777134019 stress="-0.01639847      -0.00367854      -0.00072360      -0.00367854      -0.01410282      -0.00203192      -0.00072360      -0.00203192      -0.02342025" free_energy=-223.52125447 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              5.34118998      8.23549996      8.80684999      0.68774240      0.25672027      0.66824018       3       0      -1      -1      69      0.59082673      0.16880583      0.89974350
 Li              9.88828000      6.53671996     10.94680003      0.12136233     -0.59371088     -0.23912578       3      -1      -1      -1      66      0.22858419     -0.77323275     -0.22614831
 Li              3.01152995      0.71731198      1.11701995     -0.61230237      0.36861597      0.10733064       3       0       0       0      62     -0.72504927      0.31985672     -0.02479053
 Li              4.27377001      5.77349996      8.30019003     -0.65664938      0.03513228      0.29302228       3       0      -1      -1      67     -0.93022466     -0.15053531      0.55092267
 Li              6.11280998     10.44949996      5.49431997     -2.31593917      0.82221384     -1.01653899       3      -1      -1       0      63     -2.26067461      0.93261163     -1.09649718
 Li              4.66124995      8.23442003      0.34103700     -0.04129967      0.40188905      0.07641837       3       0      -1       0      67     -0.05219596      0.24908506     -0.03980889
 Li              9.12245004      2.25439003     11.31009997     -0.14786797     -0.82677296      0.19074821       3      -1       0      -1      62     -0.14121945     -0.89717958      0.21397487
 Li              5.69764001      0.58431796      9.85964005      0.24928714     -0.43230926      0.55863000       3       0       0      -1      61      0.29273858     -0.50651908      0.63960873
 Li              0.85958404      0.42011496      9.85082001     -0.48772857      0.54015388      0.26755524       3       0       0      -1      66     -0.30166130      0.79175821      0.30975016
 Li              4.16852000      4.21402999      1.19512002     -1.31622162     -0.61392697      0.60989142       3       0       0       0      65     -1.41849269     -0.70580922      0.43987404
 Li              4.33441995      3.10888004      8.37775001      0.51542628     -1.55467255     -1.70522150       3       0       0      -1      64      0.48497424     -1.14661588     -1.68483961
 Li              9.55230002      0.82059001      4.94045997     -0.50916683     -0.00880538      0.41077661       3      -1       0       0      63     -0.33854002     -0.18060186      0.36069676
 Li              9.38279995      8.32612005      4.07649004     -0.45899070      0.10954123      1.01645265       3      -1      -1       0      61     -0.32597999      0.17225107      0.90770042
 Li              0.07857526      2.95576999      1.95167996     -0.40287176      2.18506743      1.47479816       3       0       0       0      65     -0.47401444      2.05865931      1.34103289
 Li              6.12896005      0.98935201      2.36922005      0.04500302      0.47963384     -1.22673257       3      -1       0       0      66     -0.02699738      0.42968046     -1.21041647
 Li              9.52575000      4.45120003      7.75430997     -0.03636831      0.09781983      0.48627988       3      -1       0      -1      67      0.08580380     -0.08527052      0.44407040
 Li              0.03065365     10.42989994      1.46977000      0.14586037      0.35329144     -0.44361238       3       0      -1       0      67      0.10379337      0.44924279     -0.20341066
 Li              1.60526002      4.42673996     10.16859999     -0.34739353      0.41088597      0.17547263       3       0       0      -1      65     -0.41530087      0.21025218      0.21455446
 Li              2.03132002      9.14810997      6.72033004     -0.55993435     -0.46351392      0.26856831       3       0      -1      -1      65     -0.59545161     -0.27722597      0.13337827
 Li              3.17906000      8.88249005      3.18037003      0.14614501      0.42423523      0.19099706       3       0      -1       0      69      0.37886876      0.29857124      0.11209705
 Li              6.95712004      6.97173000      2.19531999      0.42308628     -0.43355777     -0.67280511       3      -1      -1       0      70      0.37710174     -0.43351460     -0.62111980
 Li              8.45376002     10.12340001     11.23310002     -1.32756801     -0.72401306      0.21333946       3      -1      -1      -1      68     -1.33999610     -0.62391934      0.24014211
 Li              1.37855996      8.46329005     10.50259999      0.84106562      0.11697148     -0.13355965       3       0      -1      -1      62      1.02196979      0.01924921     -0.08517636
 Li              5.83324995      7.25005005      5.17313005     -0.69117965     -0.40557272      0.05238487       3      -1      -1       0      68     -0.80901037     -0.41172918     -0.09103580
 Li              2.55780000      4.14429002      4.38614999      1.13823635     -0.57741987      0.26352837       3       0       0       0      69      1.18850349     -0.51412846      0.25946667
 Li              9.13924005      4.91609998      3.86587998      3.16470454     -4.40769167     -0.37775633       3      -1       0       0      67      2.89586354     -3.93635838     -0.31252445
 Li              0.98220495      2.04843000      6.91216000      0.28054451     -0.05437421     -0.04933481       3       0       0      -1      69      0.39583755     -0.02429530      0.25093931
 Li              6.29508996      2.63477003      5.85377995      0.33696085     -0.16774722      0.16990691       3      -1       0      -1      64      0.41493166     -0.14265408      0.06013462
 Li              0.19494596      6.96083997      2.18467999     -0.19347395     -0.87508731     -0.22136002       3       0      -1       0      67     -0.20143162     -0.84039047     -0.22932880
 Li              3.41271006      0.71796705      4.40842004      0.06173733     -0.07231308      0.11246912       3       0       0       0      64      0.09724075     -0.19710030      0.14603267
 Li             10.04620000      8.80521003      7.32314000     -2.97911207     -2.51417601      4.62963640       3      -1      -1      -1      68     -2.69090572     -2.03795014      4.00382516
 Li              6.49118006      4.36905996     10.56870004      0.77148822     -0.93219579     -2.42107041       3      -1       0      -1      65      0.84286327     -0.85254697     -2.28690849
 Cl              4.00009001      2.56619999      6.22086999     -0.21281356     -0.09633413     -0.43201870      17       0       0      -1      65     -0.08575346     -0.15118908     -0.27681921
 Cl              1.57229999      2.75858002      8.71583003     -0.53891708     -0.34507017      0.73668564      17       0       0      -1      64     -0.51911145     -0.37273127      0.75362325
 Cl              4.14596002      7.61971003      7.24128997     -0.29490007     -0.30082694     -2.14695147      17       0      -1      -1      70     -0.30792386     -0.23148456     -2.15744894
 Cl              4.98661997      7.71351994      2.56922003      0.40845829      1.02069974     -0.39553193      17       0      -1       0      63      0.47940829      1.04262624     -0.22355037
 Cl              3.60345000      9.84028995      5.53735000      0.70186967      1.55945952     -1.87917432      17       0      -1       0      59      0.67949879      1.36069123     -1.72000161
 Cl              5.91232001      5.07577000      0.77413698      1.08717220      1.52265851      2.65885829      17      -1       0       0      64      1.30129651      1.36775231      2.56237995
 Cl             10.03080004     11.31167103     10.81830001      1.23411651      0.41470911     -0.65366395      17      -1      -1      -1      65      1.12797082      0.20225931     -0.59945680
 Cl              7.18768999      1.14772003      0.36190405     -0.25094082      0.29337632      0.19180976      17      -1       0       0      69     -0.20669484      0.37721022      0.18116238
 Cl              9.85731005      3.87920995     10.26149999      0.08986278      0.34021379     -1.29458759      17      -1       0      -1      65      0.14543776      0.33876666     -1.29220579
 Cl              8.92457003      3.45101004      5.84053997     -0.56559991     -0.18518176     -0.28426794      17      -1       0      -1      66     -0.57713821      0.04674320     -0.16762607
 Cl              1.34099003     10.56760005      8.23774994      0.20660562     -0.14007479      0.82396697      17       0      -1      -1      65      0.14567726     -0.11759995      0.83098925
 Cl              3.19216001      2.43976996      2.84135005      0.05160205      1.13778769     -0.55600850      17       0       0       0      69      0.07577073      1.07387690     -0.60534408
 Cl             10.02210002      4.86193997      1.63358001     -0.25002291     -0.14284670      0.62490166      17      -1       0       0      64     -0.34004738     -0.28242857      0.66264793
 Cl              9.87020003      6.62005003      8.40150996      0.21444119      0.67006977      0.03212828      17      -1      -1      -1      69      0.17581863      0.66257122     -0.16850537
 Cl              7.72995995      9.94566996      6.34015995      1.71716437     -1.27603820      1.16943500      17      -1      -1      -1      59      1.62201517     -1.43607195      1.30011312
 Cl              8.17560999      6.40103000      4.00317001     -3.14549580      4.48561221      0.90571150      17      -1      -1       0      64     -2.97198985      4.31505889      0.90766385
 Cl              2.70943001      9.91187005      1.00150002     -2.77535399     -1.73159965     -1.71234597      17       0      -1       0      68     -2.92359939     -1.74937911     -1.63797567
 Cl              1.02382006      6.46587002     11.45824483     -0.42977885     -0.25446594      0.17196382      17       0      -1      -1      60     -0.55125570     -0.02207180     -0.00147089
 Cl              0.16431993      1.34082001      5.23949001     -0.07265827     -0.64513307     -1.38381539      17       0       0       0      61      0.02700227     -0.68844691     -1.32723191
 Cl              3.68702999      7.42433004     10.04580001     -1.50080052      0.00528303      1.09672527      17       0      -1      -1      67     -1.36632336      0.15718945      1.00276391
 Cl              3.88636997      3.99039994     10.04549999     -0.30051659      0.83184272      2.38712597      17       0       0      -1      65     -0.34105704      0.68947745      2.11501439
 Cl              6.17666005      6.02943004      9.09200997      2.10325122     -0.27468035     -0.38075464      17      -1      -1      -1      62      2.21407743     -0.13061746     -0.28739750
 Cl              6.43025004      2.00170996      8.51307999      0.15444332      0.73121208     -0.57605580      17      -1       0      -1      67      0.07807166      0.64067975     -0.53921046
 Cl             11.01305715      8.92294004      2.98408997      1.99904830      0.57213244      0.15235432      17      -1      -1       0      62      1.65078606      0.54768414     -0.08318566
 Cl              4.42457997     11.25860001      2.36352001      1.74060633     -0.23399693      1.64462488      17       0      -1       0      66      1.83752125      0.24303038      1.72610531
 Cl              6.86072000      0.80385400      4.23137005      0.98582484      0.45661449      1.49429591      17      -1       0       0      63      0.70555868      0.40936808      1.42111941
 Cl              3.97749002      5.72494999      4.37107996      0.44271494     -0.11346714      0.59646589      17       0       0       0      70      0.49950012      0.02366297      0.73344212
 Cl              5.76178002      9.88930995     10.37989997      0.52319812     -0.02993008      0.08101241      17      -1      -1      -1      68      0.66592645     -0.16876737     -0.07754385
 Cl              0.64361099      1.33793995      0.99720298      0.84916752     -1.40125313     -0.93779003      17       0       0       0      67      0.71877633     -1.38142954     -1.02953388
 Cl             10.84429996      9.50201998      5.95520994      2.92209506      1.87872207     -4.48616786      17      -1      -1      -1      71      2.51501554      1.38110522     -4.07284740
 Cl              0.62222197      4.53843002      4.09412004     -1.52007380      0.57152159     -0.33747845      17       0       0       0      68     -1.63681968      0.56255914     -0.31256168
 Cl              9.30289002      8.24530995      0.86275701     -1.41835246     -0.26532721     -1.04078223      17      -1      -1       0      62     -1.19017096     -0.07254154     -1.03304714
 64
 energy=-223.50816940987619 stress="-0.02471142       0.00074688      -0.00328830       0.00074688      -0.00709273      -0.00562208      -0.00328830      -0.00562208      -0.02001630" free_energy=-223.30443958 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.20524997      4.34911005      4.17972003     -0.09994323     -0.47029184      0.79178663       3      -1       0       0      66     -0.07722980     -0.21576206      0.63656487
 Li              2.65751000      7.82429997      4.53961004      0.63404430      0.24695822     -0.10633955       3       0      -1       0      68      0.65690612      0.45063576     -0.14467004
 Li              7.82027004      3.35200004      7.96032996     -0.95742314     -0.35933353     -0.43752482       3      -1       0      -1      69     -0.86734832     -0.37470225     -0.22592378
 Li             11.34439307      2.02052995      1.60491002     -0.25251083      0.35366141     -0.00196176       3      -1       0       0      69     -0.21555776      0.28711899     -0.14587994
 Li              8.68166005      4.24582995     11.43529999     -0.21890874      0.38346168     -0.01617752       3      -1       0      -1      64     -0.10410197      0.33314047      0.09521995
 Li              5.54742997      1.61719996      5.56283005     -3.14527909     -0.83069685      0.17683807       3       0       0       0      65     -3.28951461     -0.84704286     -0.02041692
 Li              5.22713002      0.04101587     10.22600004     -0.56757018      0.40729145     -0.16689530       3       0       0      -1      68     -0.50282068      0.51734465     -0.15391006
 Li             11.16420004      4.30789997      8.75501001      3.96110087     -0.44890267     -0.28583663       3      -1       0      -1      63      3.84848253     -0.44254481     -0.22204372
 Li              3.43713998     10.28749994      2.48086001      0.48426866      0.54073131      0.04339599       3       0      -1       0      65      0.64060270      0.43333440      0.09347816
 Li             10.14270001      0.41639205     10.89739999      2.08743097      1.92969464      1.47521675       3      -1       0      -1      70      2.20248744      1.89367489      1.47734721
 Li              9.20601994      0.56638496      5.01706005     -0.08883564      0.46906976     -0.28877515       3      -1       0       0      68     -0.00638684      0.27709499     -0.09746684
 Li             11.06690005      7.67256999      4.84236001      0.49795844     -1.15700148      0.18491585       3      -1      -1       0      63      0.69281346     -1.11567135      0.11708092
 Li              3.44557001      2.32440996      2.51710995      0.12969295     -0.20372910     -0.13858931       3       0       0       0      67      0.07182220     -0.16096154     -0.17422908
 Li              1.59828997      5.21531001      0.22398303     -0.10980933      2.21400540     -0.61586103       3       0       0       0      68     -0.15195237      2.04054625     -0.80422076
 Li              0.80539697      4.32389000      5.00753999      0.41475112     -0.08923824      0.45571443       3       0       0       0      69      0.60143259     -0.06670390      0.49718759
 Li              8.93377000      6.99122994      1.83051994      0.10074480     -0.74660272      0.90340435       3      -1      -1       0      64     -0.13797835     -0.80575390      0.89973488
 Li              8.83841001      6.90913996      7.28739001      0.43159613      0.13700212      0.71135511       3      -1      -1      -1      60      0.42305752      0.30637568      0.70519671
 Li              6.19052002      6.12052005      5.74852995     -0.53817164     -0.11200430     -1.21883483       3      -1      -1      -1      62     -0.38978252      0.00136514     -1.25332175
 Li             10.71730004      7.00653006     10.57560005      0.11910837      0.03010948     -0.57121180       3      -1      -1      -1      71      0.05367276     -0.05342486     -0.61252751
 Li              8.16162999      9.14564996      4.30523005      0.35384254      0.26047866      0.39741552       3      -1      -1       0      69      0.27095214      0.22313500      0.31409335
 Li              2.61124006      5.95214004      7.92404998      0.07814375     -0.10335256     -0.65415891       3       0      -1      -1      66     -0.12057235     -0.12005598     -0.67111818
 Li             10.27850002     10.45599998      7.98408005     -0.24490935      0.73679396     -0.20456276       3      -1      -1      -1      68     -0.13896450      0.67160534     -0.00122778
 Li              2.21228999      0.49890197      6.58673999      0.32674538     -0.01063619      0.36124060       3       0       0      -1      65      0.39820667     -0.07504275      0.42105650
 Li              4.68677998      9.17469999      7.94281999      0.47016670      0.69944558     -0.98661431       3       0      -1      -1      66      0.38778735      0.82375190     -0.92517022
 Li              7.86426995      8.82022995      9.68960002      0.39739198      0.22917999     -0.00330849       3      -1      -1      -1      66      0.50132431      0.35651858      0.02964230
 Li              6.30817002      6.01386005     10.01969998     -0.44334612     -0.07837758     -1.37813677       3      -1      -1      -1      65     -0.36670715     -0.03926688     -1.36735939
 Li              7.38622002      2.00442000      1.86820005      0.77895769      0.09790265     -0.00331118       3      -1       0       0      63      0.79417451      0.06477133     -0.08081403
 Li              5.65947004      7.03625006      1.87239999     -0.55072414     -0.01723531     -0.09944666       3       0      -1       0      68     -0.50374676      0.16822379     -0.00811292
 Li              4.27368001      3.06418998      7.94787000     -0.60020054      0.17090151     -0.59359473       3       0       0      -1      63     -0.60320533      0.09766433     -0.59536298
 Li              1.60316997      9.29630000     11.06010002     -0.04591447     -0.01922186      0.36455750       3       0      -1      -1      64      0.00290713      0.04268213      0.38338012
 Li              0.28641005     10.63599995      3.00132996     -1.76081081      1.30858810     -0.26882782       3       0      -1       0      62     -1.77022913      1.23126786     -0.14511004
 Li              1.79878005      1.36875995     10.21990001      1.96487412      4.48572082      4.35933646       3       0       0      -1      60      1.75117540      3.93883168      4.02847304
 Cl             10.03169998      8.46225998      8.53197003      0.20696040     -1.23687526     -0.10175455      17      -1      -1      -1      67      0.21687344     -1.24095715     -0.20948625
 Cl              8.47831995      6.45664001      5.27471000      1.29401354     -0.59530053     -0.91017288      17      -1      -1       0      65      1.03622821     -0.69511984     -0.90217709
 Cl              8.96735003      4.53091003      2.23444998      0.39181720      0.10696453     -0.27803259      17      -1       0       0      63      0.22924735      0.16537057     -0.15154796
 Cl              2.86609994      0.93472494      4.51187003     -0.15644671      0.21001022     -0.52004867      17       0       0       0      62     -0.19779608      0.13371328     -0.39284156
 Cl              4.47073998      0.80864595      7.80453005      0.17432887     -0.53698593     -0.09213700      17       0       0      -1      69      0.18270841     -0.32784776     -0.09283925
 Cl              3.48200005      1.00177000      0.13021989      1.17299691     -0.84142834      0.20421588      17       0       0       0      66      1.27748011     -0.91723720      0.10105733
 Cl              7.32347005      2.11499001      5.24955003      4.12844701      1.55221276      1.22554035      17      -1       0       0      64      4.03660573      1.53823503      1.36413579
 Cl              9.33500995      4.43771999      8.95470000     -3.44402649      1.39011892     -0.39194394      17      -1       0      -1      63     -3.44074509      1.36547305     -0.29519248
 Cl              5.69308996      1.75598000      3.03475005     -1.48814771     -0.21431565     -1.09311891      17       0       0       0      68     -1.63297305     -0.19263198     -1.25374123
 Cl             10.84880004      2.70397003      5.21746002     -0.31960616     -0.27872627      0.00290295      17      -1       0       0      68     -0.32049797     -0.22140400      0.02143260
 Cl              4.55096002      8.42475001      9.76342998      0.29075625     -0.23872449      1.59310511      17       0      -1      -1      63      0.25922389     -0.27267767      1.37947928
 Cl              1.47415005      6.45813003      5.77102998     -0.98445078     -0.07020509     -0.37001545      17       0      -1      -1      68     -0.97495244     -0.12597688     -0.40239129
 Cl              1.19899999      6.10813003      9.57385000     -0.17880368     -0.00585316     -0.20897066      17       0      -1      -1      68     -0.00162157     -0.02314811     -0.23293228
 Cl              3.91334003      8.20430004      1.91268994      0.29090136     -0.27402464     -0.53718847      17       0      -1       0      63      0.26283971     -0.39855811     -0.33343053
 Cl              8.72419001     11.08719997     10.02690000     -3.05008096     -1.28404747     -1.84180113      17      -1      -1      -1      64     -3.00850673     -1.34782698     -1.88743665
 Cl              4.61782005      4.58433002      5.46155999      0.21881083     -0.04837660     -0.03713596      17       0       0       0      60      0.23832860      0.00392723     -0.01897682
 Cl              8.21666002     10.26650002      6.17945997     -1.49520732      0.74136329      1.46860003      17      -1      -1      -1      70     -1.69705583      0.59771090      1.21654367
 Cl              2.02961001      3.74961005      7.39994998     -0.13249817     -0.58628712      0.50909225      17       0       0      -1      65     -0.20586030     -0.65066534      0.49437533
 Cl              0.30495902     11.38619997      0.70989402      1.12559221     -1.01578732      0.37177839      17       0      -1       0      62      0.98019435     -1.02580337      0.37874151
 Cl              1.22681004      0.20541995      9.09938001     -2.68607426     -4.77142734     -5.10100832      17       0       0      -1      61     -2.47017827     -4.08373661     -4.76041573
 Cl              3.52093997      9.08800997      6.28197999     -0.39806594     -0.06211810     -0.77062151      17       0      -1      -1      67     -0.34194846     -0.05632301     -0.66225503
 Cl              0.43906003      7.10318999      0.91134698      0.19483267      0.45105748      0.88540152      17       0      -1       0      70      0.28545216      0.64447842      0.89884242
 Cl              6.77226999      6.34610005      7.65972002     -0.52553288      0.49221766      2.59899180      17      -1      -1      -1      62     -0.46478932      0.41280822      2.45641765
 Cl              6.54061002      5.71558998      0.53745600     -0.21689079     -1.44250654      0.27448353      17      -1       0       0      62     -0.22326471     -1.25880589      0.32868119
 Cl              1.69680998      9.35724996      3.28144004      0.41915353     -0.99977144      0.52830361      17       0      -1       0      63      0.40820163     -1.36876897      0.60265344
 Cl              8.80573005      7.63564997     11.36890003     -0.37445184      0.69648367     -1.11803023      17      -1      -1      -1      63     -0.56571353      0.57203734     -1.04858599
 Cl              1.59905005      3.40736999      0.86669201      1.46828305     -1.78786600      1.87383448      17       0       0       0      61      1.41946653     -1.65831123      1.96573729
 Cl              7.20169005      7.81612995      2.99498001      0.07116911      0.67916559     -0.04539240      17      -1      -1       0      71      0.09612571      0.73631752      0.10299868
 Cl             10.53240001      3.09303995     11.16750003     -0.50818143     -1.18149485     -0.32259064      17      -1       0      -1      66     -0.67327848     -1.07779792     -0.46709882
 Cl              5.79395006      3.39557004      9.38497002      0.93873488      0.36288421      0.42441094      17      -1       0      -1      66      0.98554593      0.23421155      0.26292435
 Cl             10.47880003      9.59767999      4.76463999      0.48581408      0.94559211     -0.87881311      17      -1      -1       0      69      0.70871709      0.94594235     -1.00499540
 Cl              9.39310003      0.98711200      2.34915996     -0.52060829     -0.21032079      0.47290765      17      -1       0       0      65     -0.45576340     -0.24877745      0.49275417
 64
 energy=-225.52343548546929 stress="-0.01086009       0.00109984       0.00513581       0.00109984      -0.01032845       0.00089339       0.00513581       0.00089339      -0.01882604" free_energy=-225.02505830 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li             10.79869999      5.25281001      9.03178994      0.55808364     -1.38276038      1.36986150       3      -1       0      -1      67      0.68489181     -1.35911533      1.28197319
 Li              6.60384997     10.03829997      5.58972996      0.51449638     -0.05680740     -0.00599521       3      -1      -1       0      68      0.51986630     -0.01826797      0.08173706
 Li              2.42470005      4.68215002      7.51069000      1.06176316     -0.80738275     -1.04732815       3       0       0      -1      70      1.05968485     -0.55358446     -1.03895243
 Li              5.63753004      9.80465003      9.58114999      0.14536233     -0.04397572      0.07391843       3       0      -1      -1      61      0.02767549      0.11261891      0.05877899
 Li              3.32338004      5.38883003      3.30164996      0.77194700     -1.68659901      0.39043332       3       0       0       0      68      0.63139550     -1.43610148      0.34602070
 Li              8.97495004      1.42619003      3.76747002      0.51892396      2.11695917     -2.31042119       3      -1       0       0      64      0.48493100      2.03785938     -2.32886814
 Li             10.30610005      7.51951004     11.15529997     -1.15330003     -1.45678488      0.54117061       3      -1      -1      -1      69     -1.15104713     -1.48610543      0.53190124
 Li              9.81148996      8.03918999      3.64776999     -0.95764753     -1.03067112      0.01460294       3      -1      -1       0      66     -0.90763974     -1.10188039      0.09151810
 Li              6.10189999      3.14797002      2.40146001      0.69215226      1.20065911     -0.93439401       3      -1       0       0      64      0.71195200      1.33363785     -0.90101394
 Li              1.44110999      8.58232998      1.46059996     -2.00438049      0.61884995      2.13830370       3       0      -1       0      71     -1.77735891      0.68926047      1.94885278
 Li              3.95185004      0.84825103      0.16824805      0.11591191      0.33984319     -0.02417023       3       0       0       0      66      0.01094342      0.08940791      0.03699039
 Li             11.31930005      4.07097996      1.02476001     -0.21362078     -0.17403398      0.24752524       3      -1       0       0      67     -0.14968294     -0.13481047      0.13705076
 Li              0.29759506      1.12617005      9.59231001      0.26594275      0.70019871      1.30366017       3       0       0      -1      59      0.12148585      0.63103017      1.33372881
 Li              7.50502000     10.06550000      1.10012997      0.24517274      0.68272003     -0.75667316       3      -1      -1       0      67      0.13204528      0.58304169     -0.67873766
 Li              2.05959002      8.89046999      9.47016005     -0.61196852      0.63689971      1.89589431       3       0      -1      -1      61     -0.54949680      0.65139057      2.08855335
 Li              6.83310003      6.18824998      0.17566304      0.00171051      0.21559604     -0.07894482       3      -1      -1       0      67     -0.01023533      0.18332954      0.09378514
 Li              7.29900998      6.59935001      7.15251998      0.04541405     -0.05034784     -0.26049312       3      -1      -1      -1      68      0.01383929      0.10075947     -0.57264477
 Li              9.89364001      9.91583004      9.06508003     -1.32506234      0.95193172     -1.45642605       3      -1      -1      -1      65     -1.20522095      1.05524760     -1.47189981
 Li              6.29442997      6.87843002      3.83559995      0.40028736      0.47441396      0.51055274       3      -1      -1       0      59      0.26281251      0.60111746      0.48925283
 Li              0.97250903      0.22926004      2.25387999      0.58111967     -0.35712610      0.10746550       3       0       0       0      67      0.70810282     -0.35001386      0.13795063
 Li             10.06129995      4.98419998      5.55112995      0.31598393     -0.65641301      0.28157800       3      -1       0       0      66      0.28469014     -0.52305803      0.16902987
 Li              4.19139996      0.77947394      3.45898000      0.07945956     -0.42675387     -0.24525894       3       0       0       0      64     -0.07406226     -0.53192880     -0.32373494
 Li              5.52180994      3.09011003      5.80777002     -0.48437104     -0.10445851      0.14225893       3       0       0      -1      65     -0.61637509     -0.24025062      0.16874865
 Li              2.05037996      7.43899996      5.39373995      0.43591648      0.19683601      0.29345161       3       0      -1       0      64      0.47077443      0.22475584      0.27690749
 Li              8.61603003      1.15961996      7.90275004      0.04309291      0.74606146     -1.05395462       3      -1       0      -1      63      0.19228476      0.66987210     -0.84178737
 Li              3.25596996      0.36591896      7.61986996      0.06821391      0.27114308     -0.59233059       3       0       0      -1      75      0.03337884      0.13242940     -0.30975919
 Li              4.28892005      6.97336000      7.70247995      0.23886369      0.17503533      1.52517893       3       0      -1      -1      68      0.01242768      0.07787025      1.47427479
 Li              1.61747006      2.89971000      4.38463005      0.08536296      0.40980867      0.58819027       3       0       0       0      61     -0.05563172      0.48727438      0.37310742
 Li              2.87820003      5.85590004     10.92069999     -0.00979740      0.10424832     -0.33220618       3       0      -1      -1      64     -0.07472851      0.24222279     -0.39072131
 Li              4.27633995      8.40795002      1.79726998      0.82343544      0.38767019     -0.23591783       3       0      -1       0      69      0.66301639      0.33607644     -0.36832916
 Li             11.41920002     10.84890000      5.32198995     -0.70460025      0.48244212      0.46332751       3      -1      -1       0      67     -0.75882952      0.31952977      0.48603454
 Li              7.47736001      2.04505996     10.92519995     -0.13343563     -0.26243810      0.17740910       3      -1       0      -1      62      0.03577617     -0.26857392      0.09795553
 Cl              2.64018003      8.37809004      7.67884004     -0.07968958     -0.21722739     -2.21933585      17       0      -1      -1      66     -0.18332478     -0.45718473     -2.16385577
 Cl              6.61913999      9.13886999      2.65105000     -0.16185421     -0.42934833      3.37284707      17      -1      -1       0      67     -0.13414537     -0.48017402      3.26609633
 Cl              9.36841996      5.96842998      0.90221500     -3.39021811     -0.31593240      1.00046664      17      -1      -1       0      68     -3.18856212     -0.47221223      0.95018772
 Cl              1.77945999      5.26793999      5.51555996     -0.32005900     -0.18897953     -0.70161455      17       0       0       0      66     -0.20621812     -0.10113997     -0.60889947
 Cl              6.10797996      8.49901997      0.03942772      0.03475812      0.02219238     -1.87253702      17      -1      -1       0      63      0.21154219     -0.05993438     -1.90650998
 Cl             10.87749994      9.74716996      3.44144000      1.42178335      0.27622090     -0.34470689      17      -1      -1       0      70      1.42442301      0.15829895     -0.10065463
 Cl              7.12560999      1.38039001      2.33995002      1.17136447     -1.49228542     -0.21936530      17      -1       0       0      62      1.00629981     -1.43238262     -0.34027511
 Cl              2.93594997     10.81399998      1.61123005      0.39021545     -0.03057508      0.65751854      17       0      -1       0      67      0.34482940      0.23096344      0.63284267
 Cl              5.78201001      5.73369002      2.12374998     -0.50154510     -0.55153928     -0.12936891      17      -1      -1       0      65     -0.34648122     -0.53254445     -0.02355700
 Cl             10.70100002      1.13037997      1.81106002     -2.35735087      0.24192505     -0.98816323      17      -1       0       0      67     -2.28375617      0.23745911     -0.99727241
 Cl              7.54833996     11.44739997      9.33614996     -0.57536949     -0.70485949      0.71096963      17      -1      -1      -1      66     -0.45420442     -0.57605156      0.70563621
 Cl              9.83029998      1.96820996      9.68621003     -0.24938377      1.22833893      0.42031882      17      -1       0      -1      61     -0.46300860      1.04652604      0.39194895
 Cl              0.32683596      6.09987999      0.00527632      2.76770935     -0.49590461      0.76495371      17       0      -1       0      69      2.53336514     -0.42195283      0.50015521
 Cl              5.26956001      2.81172005      0.37803303     -0.29660533     -0.24898263     -1.32121631      17       0       0       0      69     -0.04508719     -0.39801136     -1.27850028
 Cl              6.56101002      8.60307001      7.88919995      0.29889099      0.18034879     -0.35367236      17      -1      -1      -1      65      0.29072040      0.03092220     -0.54377911
 Cl             10.89150001      2.96244002      4.67423004     -0.40029821      0.18373492      0.30387706      17      -1       0       0      66     -0.26923011      0.27449616      0.46629452
 Cl             11.06609996      9.13200002     10.40679999      1.86166262      1.48803601      0.66644895      17      -1      -1      -1      63      1.81165799      1.41227737      0.70391779
 Cl              3.62548996     11.12640001      9.65462995      0.10416513     -0.16789772      0.35973085      17       0      -1      -1      64      0.22767809     -0.01513762      0.27289537
 Cl              5.04596998      6.61011004      5.87389002      0.76981102     -0.74513455     -1.77356800      17       0      -1      -1      66      1.03519834     -0.86583793     -1.54653206
 Cl              2.72275999      8.16056003      0.17066002      2.16806469     -1.07656466     -3.18492284      17       0      -1       0      62      2.19008495     -1.23630443     -2.95940082
 Cl              3.50900003      2.64476001      7.09237000     -0.04140201     -0.25655918     -0.10783847      17       0       0      -1      68      0.01135342     -0.27481193     -0.05865393
 Cl              4.60362004      2.91537995      3.68135998     -1.37881861      0.74855231      1.77682838      17       0       0       0      63     -1.44101821      0.70241761      1.80191347
 Cl              7.61514002      3.04076995      6.27648000      0.40481470      0.36526985      0.51179832      17      -1       0      -1      65      0.27790110      0.43556711      0.63631729
 Cl             10.36829996      6.69819996      7.82240997     -0.97245619      1.36109426     -1.19874472      17      -1      -1      -1      59     -1.11853269      1.40466756     -1.23346448
 Cl              1.52288998      5.04858005      9.21676003     -0.14330504     -0.75436099      0.27991095      17       0       0      -1      65      0.03539963     -0.68520028      0.38630621
 Cl              1.81015996      2.27691998      2.34215001      1.07166619      1.10850927     -0.43327246      17       0       0       0      70      1.20426833      1.15322669     -0.36508850
 Cl              0.47211900      0.08871989      7.92140999      0.18449705     -1.31377790     -2.03373110      17       0       0      -1      67      0.22215496     -1.19898774     -2.04359493
 Cl              8.78516003      0.17545897      5.14861002     -0.14443395     -2.86822424      3.07836517      17      -1       0       0      63     -0.18920439     -2.80438177      2.97413012
 Cl              4.78997994      5.62989002      9.54804000      0.32669592      0.18345576      0.02727099      17       0       0      -1      64      0.25847489      0.28721746     -0.14248544
 Cl              4.69459002     10.97300003      5.26065995     -0.77375138      0.20624356      0.29745280      17       0      -1       0      65     -0.73024379      0.13100889      0.15757213
 Cl              2.83486001      7.32792003      3.15058995     -0.90531717      1.59750062      0.36643007      17       0      -1       0      66     -0.95542826      1.52861076      0.46499304
 Cl              8.72599002      6.59562997      4.98734005     -0.69467365      0.45196673     -0.44339865      17      -1      -1       0      69     -0.80857183      0.42354929     -0.47638667
 64
 energy=-223.64612140457336 stress="-0.01704620      -0.00133174       0.00557224      -0.00133174      -0.01633794      -0.00009468       0.00557224      -0.00009468      -0.01096216" free_energy=-224.23674198 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              3.94685001      2.03676005      9.93009998     -0.38549534      0.37876033      0.91059543       3       0       0      -1      65     -0.30153892      0.60726734      0.80133476
 Li              0.00771626      4.95117999     10.76599996     -0.45255389     -0.43633045     -0.07479540       3       0       0      -1      63     -0.48349261     -0.41329296     -0.01569465
 Li              9.28264994      3.35796995      8.16335995     -0.24941130     -0.28184060      0.23021261       3      -1       0      -1      63     -0.32073388     -0.00126906      0.21610831
 Li              8.37020996      2.28571996      4.10635999      0.66551601      0.27682943      0.24347175       3      -1       0       0      60      0.72143915      0.39646626      0.19774903
 Li              2.92468998      4.78631000      4.81532999      0.40682876     -0.38389570      0.80337560       3       0       0       0      65      0.27018768     -0.39235441      0.82596594
 Li              6.26121004      5.22354996     10.43950002      0.70640965     -0.23793375     -0.52670805       3      -1       0      -1      67      0.74933465     -0.26254312     -0.53607247
 Li              3.14445003      2.18807995      1.88483002     -0.90759566     -0.10080878      0.57698548       3       0       0       0      71     -0.97767589      0.02852710      0.35507717
 Li              0.34292597      7.12604999      6.58597005      0.61979652     -0.04124206     -0.01185963       3       0      -1      -1      65      0.67514140     -0.20958805     -0.08164476
 Li              4.16175998      8.26013005      4.29800997     -0.55397331     -0.08174168      0.35124290       3       0      -1       0      65     -0.66567875     -0.26146972      0.09135400
 Li              8.31572000      2.09249995      0.61251894     -1.26309748      1.78553361      1.74447356       3      -1       0       0      63     -1.25380111      2.02118649      1.71573174
 Li              6.26544999      5.19232000      6.84134996      3.26778986     -4.50013743      0.54362598       3      -1       0      -1      69      2.99389385     -4.42706802      0.54895207
 Li              3.88069997      7.11193998      9.24603005     -0.03429549      0.28610147     -0.79158049       3       0      -1      -1      66     -0.05606124      0.02396018     -0.81317547
 Li              6.84937002     10.60249995     11.12200002     -0.46619542     -0.31409095      0.02514569       3      -1      -1      -1      63     -0.54210606     -0.05972819     -0.02446222
 Li             10.68460002     10.44930003      7.83185997      0.51441670     -0.05808614      0.18470304       3      -1      -1      -1      67      0.50516246      0.05625922      0.31584977
 Li              1.17269004      3.75723999      7.13461002      0.37174716     -0.46325643     -0.22661865       3       0       0      -1      67      0.42147474     -0.32099774     -0.24216163
 Li              3.12032001     10.38920003      8.53029005     -0.43314530      0.02718671     -0.72431762       3       0      -1      -1      63     -0.46376206     -0.12706016     -0.60453628
 Li              9.45435001      6.80273998      8.55201005      1.37402135     -0.61766958     -1.95679239       3      -1      -1      -1      62      1.57179486     -0.61175530     -2.14319521
 Li             10.87140003      1.35498998     10.94600005      0.04881332      0.06619871      0.12035385       3      -1       0      -1      66      0.29222841      0.09305328      0.24274495
 Li              0.80823805      0.08444187      5.39333996      0.38205725      0.51835526      0.40246442       3       0       0       0      66      0.42918936      0.65909158      0.39969623
 Li              6.05832002      4.66189997      3.22737999      1.33884564     -0.93189173     -0.02211581       3      -1       0       0      65      1.22024844     -1.07901364      0.04454467
 Li              3.00644004      9.15674005      0.24915400     -1.19544967      0.09691824     -3.40329841       3       0      -1       0      61     -1.36977484      0.18339755     -3.44425298
 Li              5.31782005     10.96259998      3.10181001      0.20540081     -0.04220641     -0.72616191       3       0      -1       0      72      0.06369456     -0.24974117     -0.67005468
 Li              7.54044004      9.62590998      5.20842995      0.34586019      0.80780463      0.55757082       3      -1      -1       0      65      0.28418768      0.67234391      0.43177108
 Li              4.67471004      1.83401002      6.13768998      0.91536683     -1.70518583     -1.01610731       3       0       0      -1      63      0.96442221     -1.75788041     -0.95101892
 Li              9.18564998      4.87643999      1.59721004     -2.31124277     -1.62426054      0.49802534       3      -1       0       0      68     -2.37773395     -1.58766450      0.45074505
 Li              9.76483997     10.81130003      2.36268002      0.13236600     -0.72717686     -0.12206542       3      -1      -1       0      67      0.15122359     -0.73363140     -0.03516766
 Li              0.01913285      3.48175001      3.60884004     -0.19814291     -0.18494720      0.13708552       3       0       0       0      64     -0.23468712     -0.08962235      0.17963813
 Li              2.74290995      5.55120997      1.08183997      0.24344367     -0.34809090      0.41679377       3       0       0       0      66      0.31434932     -0.37089347      0.35196245
 Li             10.66469998      7.62561001      2.39353005      0.21262124      2.21468238      0.63019283       3      -1      -1       0      68      0.31004475      2.35602382      0.73886050
 Li              0.05728712      8.76362003     10.72599994     -0.23581111     -1.09350259     -1.45300915       3       0      -1      -1      65     -0.18390009     -1.09417721     -1.60572315
 Li              6.87285002      0.99782503      8.58771005      0.73197231      0.15927763     -0.03661017       3      -1       0      -1      67      0.80298490      0.12158785      0.17330174
 Li              5.88159001      7.41116996      1.47083997      0.20124517      0.28476489      0.40842992       3      -1      -1       0      67      0.23874075      0.09118039      0.47990357
 Cl              4.23561000      5.57313002      3.25350995     -1.38247463      0.87836521     -0.82878040      17       0       0       0      60     -1.13817879      1.04147005     -0.98243944
 Cl              7.01099000      4.76437000      0.99018099     -0.54353925      0.43738936      1.23417875      17      -1       0       0      64     -0.66087199      0.51303056      1.34041820
 Cl              5.86421004     11.17960000      5.22141004     -0.30403127      0.61758459      0.44081530      17      -1      -1       0      64     -0.17484924      0.71205610      0.37838629
 Cl              6.52378997      2.91962002      4.70691000     -0.98570528      0.64028673      0.21142626      17      -1       0       0      67     -0.98730190      0.59695678      0.07912036
 Cl              1.19658997     10.30690002      9.75858002      0.36765392      1.24611239     -0.26884029      17       0      -1      -1      60      0.14419806      1.19931675     -0.42264815
 Cl              7.32538998      9.95541999      1.74111002     -0.07523302     -0.57044817      0.02242626      17      -1      -1       0      66     -0.23569526     -0.77704629      0.03444146
 Cl              8.05844998      6.53837999      9.69185997     -2.98835191     -0.07528494      2.24008483      17      -1      -1      -1      70     -3.07138023     -0.17300166      2.27340895
 Cl              9.61588997      3.49392003     11.31659999      1.58957578      0.23453113     -1.25301455      17      -1       0      -1      61      1.74096939      0.06344274     -1.22431310
 Cl             10.76559997      5.88454997      1.57075999      2.25497392      0.03955578     -0.33672277      17      -1      -1       0      64      2.25546939     -0.10931209     -0.26745261
 Cl              2.29866004      8.67595004      6.86947998      0.22823072      0.06935419     -0.41027213      17       0      -1      -1      61      0.23250647      0.20916385     -0.35908959
 Cl              0.43906806      1.58919994      7.29481004     -0.24487132     -0.51748429      0.35634627      17       0       0      -1      68     -0.37830413     -0.50294778      0.35673344
 Cl              8.58145995      0.45104903     11.19529999      0.84746686     -2.12623925     -2.28955778      17      -1       0      -1      68      0.76571968     -2.18186877     -2.32177670
 Cl              9.45209006      1.43213999      2.52081004      0.49888195      0.48152388      0.04445164      17      -1       0       0      66      0.52797225      0.50959958      0.03196898
 Cl              7.10002997      3.47286004      8.97455005     -0.00088621     -0.42084279     -0.56809772      17      -1       0      -1      64      0.09961580     -0.30992373     -0.65923254
 Cl              1.44422002      6.50448000     11.16050005     -0.07863918      1.51759363     -0.95051137      17       0      -1      -1      65     -0.02918934      1.45650432     -0.82303622
 Cl              9.50487997      4.43821995      4.13361998     -0.90409960     -0.17259382     -0.08405062      17      -1       0       0      67     -1.08287169     -0.47317947     -0.15191131
 Cl             11.02859996      7.98950002      8.51834003      0.55577708      1.26089460     -0.31335178      17      -1      -1      -1      61      0.48688435      1.24233409     -0.25388429
 Cl              1.85960998      2.74553000      0.17031988     -0.27604123      0.21423190     -0.42908817      17       0       0       0      73     -0.13935783      0.08399726     -0.41471003
 Cl              0.19951986      9.45475997      1.09805001     -0.80213584      0.46677808      2.46766141      17       0      -1       0      66     -0.89460244      0.49776907      2.45300316
 Cl              4.75820004      1.07362995      8.22597005     -0.51385553     -0.79687336      0.06173935      17       0       0      -1      67     -0.54114280     -0.69659592      0.05245212
 Cl             10.88869997      4.81528998      8.02277004     -0.23107995      0.31006346      0.81471132      17      -1       0      -1      69     -0.34830409      0.23700658      0.88444673
 Cl              8.60004000     11.02229999      8.04108996     -0.44192591      0.01594036     -0.42415224      17      -1      -1      -1      65     -0.19610737      0.12894884     -0.31942275
 Cl              1.47861997      1.74863002      4.13022002      0.78044405      0.55750605     -0.95933623      17       0       0       0      66      0.75775177      0.55146964     -0.92026650
 Cl              5.09916997      6.48031994      6.70299994     -3.45064493      4.74855315      0.09882478      17       0      -1      -1      65     -3.28541521      4.49001252      0.13685235
 Cl              4.07870998      3.60875005      6.66185005     -1.87797801      1.97864801      0.28773609      17       0       0      -1      66     -1.92507905      2.06155015      0.16482203
 Cl              6.27876002      8.36702999      4.15854001      0.15743666     -1.72208359     -0.78476113      17      -1      -1       0      66      0.31684445     -1.64076573     -0.97662511
 Cl              3.49262996      9.34036996      2.01677999      1.44973874     -0.08203950      3.72289302      17       0      -1       0      61      1.58323576     -0.11968718      3.62256403
 Cl             10.79909997     10.32300000      4.54534000     -0.99443320     -1.03515961     -0.07371823      17      -1      -1       0      67     -0.99774277     -0.98478857      0.15055735
 Cl              0.80124599      5.02695005      5.25795999      0.66907825      0.81544104     -0.26245891      17       0       0       0      70      0.92798049      0.85968566     -0.15331627
 Cl              4.61804004      9.96237995      9.99054998      0.66370713     -1.15142800      1.04097389      17       0      -1      -1      66      0.58349674     -1.30840030      1.07308228
 Cl              4.12939998      5.54676000     10.79310003      1.08647169     -0.14977276     -0.21129001      17       0       0      -1      66      1.10958914      0.04793858     -0.05609573
 Cl              4.96651002      1.45571996      1.29845995      0.94838075     -0.43822117     -0.28897295      17       0       0       0      65      0.80536415     -0.48532976     -0.12016845
 64
 energy=-222.38206123846905 stress="-0.01337482      -0.00119870      -0.00457777      -0.00119870      -0.00944916      -0.00184709      -0.00457777      -0.00184709      -0.01572332" free_energy=-222.56465772 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.76106896      1.13442995      4.54037998      0.21539952     -0.36097152      1.45709839       3       0       0       0      64      0.31257279     -0.31362712      1.46165548
 Li              5.35846998      4.50197006      7.98550001      0.21744316      0.34657171     -0.95906275       3       0       0      -1      64     -0.11191942      0.29033022     -1.09549663
 Li              1.84118998      4.11805000      0.05312100      0.35353204      0.63109561     -0.38375617       3       0       0       0      60      0.31157939      0.46140536     -0.44503342
 Li              9.46619995      8.30428003      4.41092006     -0.62857209     -0.79968273     -3.08930382       3      -1      -1       0      64     -0.72280729     -0.79392540     -3.30664998
 Li              0.60711996      9.44103001      6.16164001      0.10941975     -0.96503144      0.06079955       3       0      -1      -1      62      0.04821325     -1.02665076      0.30366425
 Li              3.52408003      6.82454997      4.41770003      0.74614574      0.16799520     -0.18675506       3       0      -1       0      68      0.70747734      0.23299596     -0.03590347
 Li              5.47988003      1.12455004      5.51356002     -0.43462530      0.38189067     -0.32275232       3       0       0       0      66     -0.37804527      0.62600069     -0.35358818
 Li              7.99017996      3.05086998      6.15008998      0.21801380      0.15040115      0.18770464       3      -1       0      -1      67      0.23364389     -0.03407229      0.15463944
 Li             10.77520005      2.43706004      9.53525997     -0.41188939     -1.18289531      0.27394542       3      -1       0      -1      66     -0.42875874     -1.21165259      0.38372991
 Li             10.42710002      4.45748005      2.77521996      0.07576149      0.41731064     -0.26308304       3      -1       0       0      62      0.14251430      0.30474887     -0.39358583
 Li              2.87149996      3.49823003      6.33437003     -0.28467900      3.33361760     -0.96755960       3       0       0      -1      66     -0.07986450      3.08333862     -0.68711351
 Li              8.79796999      1.12698998      2.07748003      0.43566107      0.16504547     -0.41310010       3      -1       0       0      60      0.26976321      0.09613350     -0.45445943
 Li              1.36034001      8.31137997      2.14027000      0.04572431      0.01761130      0.52038717       3       0      -1       0      64      0.02692648      0.06044293      0.48110483
 Li              5.99440999      8.99860005      6.09669005     -0.10790078     -0.09019324      0.46119300       3      -1      -1      -1      68     -0.15002739     -0.12842745      0.52103129
 Li              6.75679997      4.70937000     10.69779999      1.29444732      0.59403505     -0.45147625       3      -1       0      -1      68      1.36025768      0.47034357     -0.28704697
 Li              0.07822032      0.23160505      1.09335997      0.40352553     -0.09243911     -0.02705698       3       0       0       0      65      0.53023821      0.04335670      0.09232329
 Li              2.37771003      0.28270903      7.81430002      0.99007654     -0.33595428     -0.13490978       3       0       0      -1      69      0.84930945     -0.19648359     -0.23684465
 Li              0.98340102      5.98217003      7.63911997     -0.30149028      0.30260724      0.03565503       3       0      -1      -1      62     -0.07559428      0.22681454      0.16159451
 Li              6.57460000      1.48441000      9.42015000     -0.90635194     -0.16231226      0.12215874       3      -1       0      -1      65     -0.84432317     -0.19870834      0.11820221
 Li              4.03131997     11.04080002      0.39812602     -0.05396277      0.36437139     -0.00503686       3       0      -1       0      68      0.02770303      0.40556998      0.06307995
 Li              6.46473001      4.69380999      3.57781002     -0.10776769     -0.60811579      0.47968442       3      -1       0       0      66     -0.23530563     -0.57596489      0.40345830
 Li              1.16330996      9.18552995      9.90881001      0.00524060      0.94233607      1.46022767       3       0      -1      -1      67     -0.18667728      0.84644941      1.41593315
 Li              5.49531003     10.45599998      3.26554997     -0.02901367     -0.54424971      0.13213509       3       0      -1       0      66      0.02596734     -0.37453946      0.17456965
 Li              9.47377004      8.84057997      0.67229095     -1.78695964     -1.54088896     -1.35156250       3      -1      -1       0      66     -1.86754979     -1.51244564     -1.31148618
 Li              8.63697997      7.59003004      8.19649000      0.72560732      0.28291764     -1.81566870       3      -1      -1      -1      67      0.73060775      0.44319772     -1.84690585
 Li              5.07729005      2.84874004      1.30106005      0.05931223      0.35591031      0.64584958       3       0       0       0      67     -0.03791623      0.39971531      0.44740373
 Li              6.29745998      9.33429997     10.54019996     -0.20476614     -0.04644779     -1.11921772       3      -1      -1      -1      68     -0.16317234     -0.11829296     -0.97145180
 Li              6.22720996      6.90190004      1.92519999      0.18235557     -1.14254479      0.37143637       3      -1      -1       0      60      0.35049326     -1.44052278      0.32334814
 Li              3.78695001      6.38911002      9.22179995     -0.24348340      0.59493751      0.45166234       3       0      -1      -1      65     -0.39042166      0.49878097      0.35484626
 Li              9.88274998     10.86169999      8.64691996     -0.26909542      0.26992747     -0.03691168       3      -1      -1      -1      65     -0.24491838      0.35258539     -0.15094327
 Li              9.01858997     11.03160005      5.74881003     -2.26288398     -0.89682205     -0.36848717       3      -1      -1      -1      62     -2.19708839     -1.02423108     -0.22140451
 Li             10.32639996      5.34501997     10.60569998      0.48944956      0.63103458     -0.37501221       3      -1       0      -1      66      0.47590778      0.51983571     -0.27688364
 Cl              6.75279997      7.23078995      8.72358997     -3.00286912     -1.49715157      0.76511545      17      -1      -1      -1      71     -3.25952209     -1.72237090      0.84439284
 Cl              9.45839002      3.46038002      4.37981001      0.05778819     -0.88310635      0.06065830      17      -1       0       0      72      0.13999711     -0.78602383     -0.11491899
 Cl              7.11127999      5.02082996      5.61320995     -0.29854835      1.22247850      0.63462177      17      -1       0       0      64     -0.29394241      1.10181211      0.45751831
 Cl              7.94627005      9.64593005      7.68312000     -1.50539496      2.48405905      1.13596624      17      -1      -1      -1      66     -1.68006435      2.38683724      1.22729283
 Cl              9.59549994      7.50488999      9.94964004      1.49690003     -0.15409775      1.95620459      17      -1      -1      -1      65      1.58915589     -0.28492975      2.05608159
 Cl              3.07850004      1.70039005      6.35368000     -0.46643670     -4.65284654     -0.37470954      17       0       0      -1      69     -0.52333868     -4.52781507     -0.43502796
 Cl              2.51459996     11.33790004      1.99431000      0.97957682     -0.95849176     -0.49411922      17       0      -1       0      58      0.99286266     -0.95789704     -0.53644937
 Cl              4.40135002      3.66061995      4.34383006     -0.08760793      0.35036519     -1.05535247      17       0       0       0      63     -0.24083663      0.71030221     -1.08727606
 Cl              6.90911004      0.88102901      3.15489995     -0.60242961      0.28521643      0.92068586      17      -1       0       0      61     -0.54446404      0.16130857      1.04301885
 Cl              1.71738997      6.27229003     10.61409997      0.27068628      0.19576293      0.59855068      17       0      -1      -1      68      0.29517710      0.26546031      0.85550912
 Cl              6.69036997      4.59471998      1.29306005      0.20836891      0.06479129      1.30277997      17      -1       0       0      64      0.08384847      0.20438182      1.50577783
 Cl              7.41665000      9.50913001      4.46954999     -0.31558225      0.03011174     -0.57930467      17      -1      -1       0      65     -0.33065121      0.20544162     -0.72735403
 Cl              4.86649003      4.60510994     10.09720000     -1.26904533     -0.70175196      0.50362956      17       0       0      -1      62     -1.10498433     -0.45651322      0.32386740
 Cl             10.74589998      9.63760997      1.88984003      2.05756098      1.26635419      1.43857795      17      -1      -1       0      69      2.10649973      1.20356658      1.38127560
 Cl             11.28319995      3.54519999      0.00321986     -0.67432406      0.12387245      0.97058521      17      -1       0       0      65     -0.78459375      0.25620700      0.68642202
 Cl             11.41943263      3.96796997      8.31115997     -0.07604259      0.95604111     -0.94520167      17      -1       0      -1      66     -0.07458526      1.09460375     -0.96550107
 Cl              3.67163999      9.44257998      5.21522999      1.05513045      0.55089180      0.29392100      17       0      -1       0      62      1.35540757      0.39672447      0.31897296
 Cl              6.97459000      8.39384999      0.86551405      1.17631210      1.72825854     -0.87537939      17      -1      -1       0      61      1.13081623      1.52750585     -0.80537387
 Cl             10.83149998     11.28719995      6.39277996      2.29437284      1.60712003     -0.54391750      17      -1      -1      -1      63      2.24884429      1.65740261     -0.75142281
 Cl              6.00381001      1.29988003      0.20191991     -0.10428600     -0.52822649     -0.78581711      17      -1       0       0      73     -0.07047820     -0.49218280     -0.94741213
 Cl              4.34230003      7.66729998      2.33906005     -1.28928847     -0.03222114      0.43021884      17       0      -1       0      70     -1.27946021     -0.09568004      0.44395991
 Cl              0.42258597      1.75870001      2.67087999     -1.03971140      1.19535809     -0.63101212      17       0       0       0      71     -1.18874509      1.23314379     -0.52989691
 Cl              0.77313798      0.08788299      9.03824995     -0.81224632     -0.05171370      1.61010242      17       0       0      -1      66     -0.59981571     -0.02740232      1.50756560
 Cl              5.87302000      2.49021005      7.22675005      0.09495485     -0.27747705      0.39116245      17      -1       0      -1      65      0.19132416     -0.23484892      0.47556454
 Cl              1.27073004      8.36939003      8.16273996      0.31169548     -0.98283904     -2.11044400      17       0      -1      -1      68      0.27442656     -0.85608787     -1.97664201
 Cl              3.05187000      5.07305996      7.65560997      0.31800702      0.66754961     -0.36064329      17       0       0      -1      62      0.28735047      0.76218810     -0.42687945
 Cl              9.63943003      6.80004003      2.33264005      0.09562479     -0.82885990      0.14081909      17      -1      -1       0      66      0.15113989     -0.88687965      0.26695211
 Cl              8.39475005      1.45391995      8.45998994      1.70257119      0.22457999     -0.56552856      17      -1       0      -1      67      1.64553664      0.27593275     -0.59247908
 Cl              1.51887003      7.07798003      4.82565002     -1.30229477     -0.11014845     -0.27953869      17       0      -1       0      65     -1.29245380     -0.27780947     -0.42629510
 Cl              9.81825996      8.48783003      6.23739001      2.40239121     -1.54176305      1.47405350      17      -1      -1      -1      66      2.67849284     -1.50205170      1.46581100
 Cl              9.84182995      0.71974906     11.17129998     -0.55351266     -0.47204943      0.68784024      17      -1       0      -1      65     -0.54514861     -0.44004747      0.82356674
 Cl              4.06202005     10.58050000      9.72068002      0.34400535     -0.46113438     -0.10374957      17       0      -1      -1      69      0.35341939     -0.30677986     -0.14640751
 64
 energy=-223.14695131140590 stress="-0.01623355      -0.00160567       0.00043110      -0.00160567      -0.01916874       0.00084243       0.00043110       0.00084243      -0.01479657" free_energy=-222.87177812 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.31106005      4.07663002      5.03188003     -0.35938386     -1.79346936      0.45511387       3      -1       0       0      67     -0.43203041     -1.59343400      0.55006935
 Li              2.31999002     11.22000001      2.37964005     -1.12874326      0.24570960      0.28051743       3       0      -1       0      66     -1.01382392      0.46280305      0.26595130
 Li              7.47104996      7.39031002      5.63177004      0.80733490      0.36025455     -0.23879369       3      -1      -1       0      66      0.90869690      0.33505926     -0.15484180
 Li              7.64523995      1.55194000      1.53465003      0.13825795     -0.01772841      0.33354603       3      -1       0       0      69      0.12976940     -0.08757344      0.29606331
 Li              9.52602996      1.78808996      8.30265004     -3.52529418     -4.22836207     -0.71983362       3      -1       0      -1      66     -3.36019545     -3.83772416     -0.67959083
 Li              4.23798001      7.20044996     10.71040004     -0.26448044     -0.19603881     -0.38767771       3       0      -1      -1      71     -0.30102367     -0.25496710     -0.35295300
 Li              8.47997000      8.57876000      0.42868704     -0.10103432     -0.66996725     -0.60238859       3      -1      -1       0      68     -0.28472371     -0.71266596     -0.46485599
 Li              1.70722998      6.03946002      1.43424002      0.57795606      0.66469945      0.15012675       3       0      -1       0      60      0.50533810      0.72450650      0.33439259
 Li              1.73593000      3.60126995      4.29966999      0.05305278      0.03414206     -0.27952419       3       0       0       0      61     -0.06928070      0.13897259     -0.39988319
 Li              5.52410005      5.54325995      8.24407995     -1.02210388     -0.11770972      0.29019759       3       0       0      -1      65     -0.96887150      0.22373048      0.03628258
 Li              6.85493994      0.03721993     10.55200003     -0.30769326     -0.17081071     -0.36332735       3      -1       0      -1      62     -0.13405468     -0.20092367     -0.17428446
 Li             10.62990004      0.81703001      0.27284597      0.21532340      0.33669981     -0.22438704       3      -1       0       0      60      0.30386747      0.34430212     -0.18537897
 Li              3.78638998      6.48086003      4.57713996      1.37309964      0.82469336      0.37471616       3       0      -1       0      69      1.09783409      0.66836060      0.47010750
 Li              3.99003997      2.08264996      0.81288200     -3.03055630      0.17371458      0.57929078       3       0       0       0      67     -3.04558106      0.01506050      0.58229565
 Li              0.67030797      8.73065999      9.44904996      0.42331029      0.39526393      0.16536952       3       0      -1      -1      65      0.38406692      0.31385123     -0.05645869
 Li              6.85605003     11.31999995      7.07739994      0.72672406      0.28463451     -0.12242565       3      -1      -1      -1      67      0.55717024      0.39756490     -0.08103765
 Li              5.74500996      9.51402996      2.16687000      1.20915297      1.88283887     -0.09934616       3      -1      -1       0      68      1.06771641      1.98034942     -0.10860454
 Li              3.58828000      2.44779003      6.68738995      0.53794400      0.00254584     -0.18256240       3       0       0      -1      68      0.33924390      0.04593271     -0.09220069
 Li              7.29271001      4.24382003     11.03909998     -0.82070564      0.32469398     -0.45951459       3      -1       0      -1      66     -0.70579843      0.28515618     -0.45258429
 Li              4.49834998      9.23724005      7.83065003      0.10719968     -0.86952550     -0.57847110       3       0      -1      -1      64     -0.07110267     -0.78580162     -0.59202217
 Li              5.64377005      6.05934997      2.09951002      1.31866365     -3.86298083     -0.73885377       3       0      -1       0      65      1.27720373     -3.62009747     -0.75177816
 Li              1.28942003     11.39740000      5.84097997     -1.13483784     -0.67520669     -0.84632125       3       0      -1      -1      64     -1.00634681     -0.65738156     -0.82841229
 Li              0.57191797      6.67713996      4.98139994     -1.24302003      1.17972023      0.94178471       3       0      -1       0      69     -1.07575612      1.16370974      0.98483968
 Li              9.92749002      9.71282000      2.62625001      0.25537339      0.05577411      0.29475448       3      -1      -1       0      66      0.28540467      0.05025789      0.24550246
 Li              9.96722006      9.39500998      6.14976004      0.30941288      1.38690390      2.43571367       3      -1      -1      -1      66      0.47186587      1.37225143      2.27062871
 Li              2.93713996      0.18424898      9.39237996      0.01873820     -0.39365878      0.68389946       3       0       0      -1      66     -0.03758252     -0.53019092      0.57131371
 Li              9.60338003      5.21488996      8.12314005      0.70654323     -0.00310512     -0.17400524       3      -1       0      -1      67      0.98993060      0.15821385     -0.23053695
 Li              9.59869000      2.19027995      4.39146999     -0.30066446     -0.86772644     -0.17009870       3      -1       0       0      63     -0.12169633     -0.78117647     -0.19643383
 Li              0.92186798      3.23117994      9.94904000      0.02235715      0.67153556      0.02292999       3       0       0      -1      66      0.11009736      0.60017421      0.21823454
 Li              9.92845004      5.52927995      2.59877999     -0.71602698      1.17563319     -1.24976629       3      -1       0       0      68     -0.74079039      1.09125776     -1.25850495
 Li              7.65110003      7.84671000      8.62097996     -1.04515523      0.18408600      0.65465065       3      -1      -1      -1      64     -0.79705285      0.04162220      0.57967071
 Li              4.85871002     11.42866252      4.52860995     -5.19401396      3.79784857     -2.45509805       3       0      -1       0      71     -4.83412640      3.43126659     -1.84681101
 Cl              3.05357004      9.20695004      9.40885000     -1.00519870     -0.00270270      1.03230470      17       0      -1      -1      62     -0.98220285     -0.03871903      0.96164151
 Cl              9.29621001      7.40834998      7.45025995      1.71370494     -0.26546752     -0.07294694      17      -1      -1      -1      68      1.49946725     -0.39050486     -0.21478255
 Cl             10.76779997      0.51024599      2.38541002     -0.04769473     -0.15945829      0.93993774      17      -1       0       0      66     -0.17621603     -0.27328481      1.10889306
 Cl             10.69190001      3.10133998      8.42604994      3.37481631      3.96443793      0.07890653      17      -1       0      -1      64      3.24916870      3.71476128     -0.01063144
 Cl              1.98614995      6.32975004      3.61153002     -0.41655123     -0.39784882     -1.88148818      17       0      -1       0      65     -0.28125482     -0.50770613     -2.03169164
 Cl              6.19663003     10.55809994      5.12269995      5.11681192     -4.13438351      1.50122762      17      -1      -1       0      65      4.70055841     -4.00998846      1.23638441
 Cl              2.60910002      0.47498404      7.28172998     -0.77730280      1.17725664      0.51982630      17       0       0      -1      64     -0.82028508      1.14196134      0.42848923
 Cl              9.95234997      0.05191679      5.88437995      0.13054192      1.43175877      0.15825324      17      -1       0      -1      68      0.18626513      1.32538441      0.04556487
 Cl              8.29269996     10.14370004      8.73843002     -0.15718389      0.73386009      0.37631384      17      -1      -1      -1      63     -0.40493352      0.76863680      0.35778368
 Cl              5.81213000      2.04819005      0.40059301      2.58266942     -0.26917756     -2.26864972      17      -1       0       0      70      2.57067696     -0.20644118     -2.33933775
 Cl              6.80990000      5.85489004      4.21414004      0.61465367      0.50505638     -1.10924563      17      -1      -1       0      66      0.55864811      0.63257727     -0.98587921
 Cl             10.15330000      7.47471005      1.57314995     -0.11668400      0.33247355     -0.59351231      17      -1      -1       0      68     -0.04099872      0.47691005     -0.65142162
 Cl              6.64709002      2.40542000      3.29779005      0.34902469      0.17933773      0.89514300      17      -1       0       0      66      0.29693521      0.13640785      0.83816353
 Cl             10.51490001      4.11532999      3.80779999      1.10784656     -1.14686387      1.62788761      17      -1       0       0      63      1.11418486     -1.15294040      1.79693089
 Cl              5.04657002      7.74096004      2.37863004     -2.40264086      2.09211406      1.10998031      17       0      -1       0      75     -2.27197696      2.01532673      1.17845958
 Cl              3.29346996      6.16850998      8.71682994     -0.05546243     -0.65089519      0.20170188      17       0      -1      -1      63      0.11832587     -0.52837590      0.30363700
 Cl              3.48853996      4.62507006      5.59245994      0.12318324     -1.51800684      0.64397765      17       0       0       0      69      0.09215772     -1.56062764      0.38487549
 Cl              5.74899001      7.19384997      6.87593001     -0.56303065      1.37832914      0.03233773      17      -1      -1      -1      66     -0.57046287      1.28419788      0.13820110
 Cl              4.26197005     10.96839999      1.66063995     -0.02093553      0.35790094     -0.08287267      17       0      -1       0      68      0.07859686      0.36348086      0.01382385
 Cl              1.04667994      4.50963003      0.33947705     -1.38648204      1.04106700     -0.27529336      17       0       0       0      64     -1.51743564      1.08898464     -0.32662730
 Cl              2.33128004      1.26117995      4.30432999      0.29826000      0.48299833     -0.72384488      17       0       0       0      62      0.26194969      0.42546794     -0.72875050
 Cl              8.85165996      2.99766998      0.26501988      1.18744271     -0.39862247     -0.08187431      17      -1       0       0      62      1.02427377     -0.53196205     -0.13020650
 Cl              7.93763997     10.58939995      1.04156997     -0.38666796      0.14348532      0.27195500      17      -1      -1       0      68     -0.31048897     -0.05222742      0.19976656
 Cl              6.37087000      2.20085999      6.66719000     -0.01891880      0.76515274      0.12323078      17      -1       0      -1      68     -0.02520002      0.78339659      0.03980265
 Cl              1.74735003      1.91970998     11.37430005      1.24829336     -2.47444326     -0.15423438      17       0       0      -1      68      1.29472115     -2.58717279     -0.37135058
 Cl              6.51015997      7.30807994     10.66750001      0.77612018      0.79400077      0.41742694      17      -1      -1      -1      70      0.76730649      0.79818868      0.42479695
 Cl              5.10513999     11.21850003      8.23246995      1.02859113      0.36831847      1.80530949      17       0      -1      -1      68      1.12211986      0.26490620      1.80898439
 Cl              9.85961002      8.20414997      4.71545994     -0.56231526     -1.90765032     -3.42517091      17      -1      -1       0      64     -0.66520274     -1.81427440     -3.27826484
 Cl              0.05645459     10.44530002     10.86310001     -0.15779854     -0.60685192     -0.45319896      17       0      -1      -1      66     -0.16272324     -0.77698725     -0.48844707
 Cl              4.35493000      5.16911996      0.43072401      0.07720052     -0.32197349      0.46067819      17       0       0       0      68      0.24765525     -0.24789089      0.44395733
 Cl              7.61562003      5.26481002      8.61534997     -0.49373632     -1.62162270      0.90694684      17      -1       0      -1      64     -0.53046894     -1.42703285      1.06833485
 Cl              1.44441996      9.15456998      5.26385997      0.23271260      0.01331817      0.24877115      17       0      -1       0      65      0.14847106      0.10308072      0.28072148
 64
 energy=-222.03107695475362 stress="-0.01918894       0.00290426      -0.00242413       0.00290426      -0.02220200      -0.00570280      -0.00242413      -0.00570280      -0.01830277" free_energy=-221.69549311 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              1.87959004      3.07995004      2.52103004     -1.13147460     -0.14984032      0.61721115       3       0       0       0      67     -1.17216180     -0.11924301      0.68459080
 Li             10.16979996      9.90135994      4.93749003      0.03112558     -0.18480445      0.42246211       3      -1      -1       0      66      0.28365785     -0.17783383      0.54062725
 Li              9.88955999      3.03099000      8.55387999      0.35213993     -0.10577206      0.00530181       3      -1       0      -1      64      0.18497365     -0.27420880      0.01435565
 Li              7.53749005      1.12759999      3.03318999     -0.22504166     -0.15497979     -1.39303524       3      -1       0       0      69     -0.12764170     -0.36413639     -1.32058203
 Li              9.29941003      6.66267995      6.06856003     -1.99071620     -0.77698429     -1.07439818       3      -1      -1      -1      70     -1.94996307     -0.45051502     -1.18128802
 Li              5.00152996     10.21749996      7.43092005      0.70292464      1.59928293      0.14313376       3       0      -1      -1      66      0.51464914      1.58047707      0.08471028
 Li             10.07050003     11.12909996      8.29596006     -0.02872771     -0.12098528      0.20747104       3      -1      -1      -1      64      0.00309316     -0.13887029     -0.07462289
 Li              8.50743005      6.23089997      2.45275005     -1.07067779     -1.52394446     -1.87324290       3      -1      -1       0      63     -1.18896147     -1.61836034     -2.03488494
 Li             11.16299996      9.03889000     10.70549997     -2.07492612      2.34900033     -0.89202766       3      -1      -1      -1      60     -2.14168912      2.22420723     -0.95340715
 Li              4.63114005      4.36184996      0.77645597      0.33394311     -0.18840266     -0.23327577       3       0       0       0      61      0.47407302     -0.24102990     -0.21136477
 Li              7.45583996      8.71644004      4.01684001     -0.90198799      0.09280340     -0.71995071       3      -1      -1       0      71     -0.91495548      0.10020566     -0.53100157
 Li              4.59153004      5.86084998      6.30615999      0.00258916     -0.05768970     -0.21064006       3       0      -1      -1      71     -0.16991527     -0.16156485     -0.12796514
 Li              1.51817002      0.68282295      5.93791997     -0.67516397      0.06703111      0.04405020       3       0       0      -1      64     -0.64550269      0.12278111      0.09746981
 Li              1.48417006      9.93364003      2.56707999     -0.95983360      3.03907009     -1.55726726       3       0      -1       0      65     -1.08413297      2.82323806     -1.44988317
 Li             11.35770000      1.04174996      0.49624501      0.56476220      2.36620681     -0.64745423       3      -1       0       0      67      0.61138740      2.32745122     -0.63391510
 Li              1.74651004      8.66241004      6.37205999      0.03883763     -1.50581989      1.47026032       3       0      -1      -1      67      0.03426252     -1.55870697      1.15063517
 Li              6.48318005      1.65331003      6.96633996      0.98392702      0.72871929     -0.38365972       3      -1       0      -1      67      0.79168114      0.60483857     -0.62844221
 Li              7.94334001      6.54581996      9.95995996      1.35516784      0.60921402     -1.22498640       3      -1      -1      -1      62      1.39454457      0.40724414     -1.12286873
 Li              1.28688000      6.67038005      1.97077005      0.39578663      0.40981348     -0.40028454       3       0      -1       0      69      0.43653887      0.62097995      0.00215582
 Li              1.10487997      4.74348999     11.06800005      0.35979804     -0.03104066     -0.51993527       3       0       0      -1      66      0.39795423      0.07017386     -0.45904156
 Li              2.75221998     10.89679995     10.16429997     -0.37581974      0.11103068      0.46499733       3       0      -1      -1      68     -0.13604776     -0.01361851      0.54228469
 Li              7.24976998      2.87105997     11.29980000      0.28177362     -0.68299446     -1.29278407       3      -1       0      -1      64      0.33331227     -0.61144293     -1.21584279
 Li              4.04215005      9.24667996      4.20587006     -0.04685229     -0.47224340     -0.18381883       3       0      -1       0      66     -0.02746865     -0.26080805     -0.05885826
 Li              9.83722005      2.04312995      5.15552000      4.28919408      1.63900047      0.09270997       3      -1       0       0      67      4.20534768      1.45983162      0.07457903
 Li             11.36170000      6.72211995      8.46414999      0.05969763     -0.05881327      1.55480729       3      -1      -1      -1      70     -0.10114714      0.19550055      1.50009217
 Li              3.73388003      1.00704999      4.52920001     -1.37019685      2.01208474     -0.82645096       3       0       0       0      64     -1.24649282      2.17835402     -0.58488065
 Li              6.03335002      4.29492997      3.78511997      0.05014963      0.03886876     -0.73774280       3      -1       0       0      64     -0.08672751      0.10126715     -0.53476836
 Li              3.71989005      3.02363004      8.35512996      0.12633079     -0.52503901      0.49709313       3       0       0      -1      64      0.20730473     -0.31472970      0.21152647
 Li              1.11388000      4.28679996      5.89197997     -0.04341938      0.73965453      0.51263867       3       0       0      -1      67      0.02431184      0.61956194      0.41341044
 Li              4.23750001      7.61616000      9.31618996     -0.18077156     -0.46301896      0.34070970       3       0      -1      -1      65     -0.23604368     -0.54161913      0.18679749
 Li              8.40407005     10.95630002      0.15583602     -0.59717895     -1.45514219     -0.58695033       3      -1      -1       0      61     -0.82579888     -1.32380709     -0.45229963
 Li              5.78245998      8.37328995      0.64254699      0.16784853      0.17215210      0.26747196       3      -1      -1       0      69      0.29750759      0.34597343      0.19808323
 Cl              1.06631000     11.04400004      0.61571003      2.20788474     -2.50081440     -0.62432586      17       0      -1       0      66      2.12510171     -2.53978389     -0.65768971
 Cl              5.03294002     11.05729998      4.95729996      1.30321385     -2.09140454     -1.00344615      17       0      -1       0      66      1.19366996     -1.99828311     -1.17743465
 Cl             10.98250002      7.37900004      6.59775005      2.23389835      0.03941806     -1.26852836      17      -1      -1      -1      70      2.34624323     -0.09274954     -1.07021546
 Cl             10.88560003      1.06297997      6.77951002      0.11115767     -0.46919393      0.76070777      17      -1       0      -1      67      0.05453132     -0.41675677      0.90778373
 Cl              7.40747995      3.71846000      1.65639003     -0.08081417      0.46585368      2.02399309      17      -1       0       0      67     -0.16070908      0.38491342      2.10633363
 Cl              8.97697005      8.70221000     11.00409999      0.00475329      0.60450750     -0.39512941      17      -1      -1      -1      64      0.02484535      0.94980455     -0.34357535
 Cl              6.99477000      9.96570001      1.85159003     -0.27472519      0.39532763      0.70346187      17      -1      -1       0      68     -0.36878381      0.49286462      0.67832354
 Cl              2.89455005      4.79390004      7.45555002     -0.63429183      1.89656588      0.45269034      17       0       0      -1      67     -0.69035997      1.66185302      0.52328068
 Cl              6.69863996      6.52748995     11.41209996     -1.94182939     -0.48543883      1.65091300      17      -1      -1      -1      60     -2.07197807     -0.64624910      1.57679567
 Cl              8.69636999      1.23443998      9.55449004     -0.39339472      0.09117928     -1.22156981      17      -1       0      -1      69     -0.22409072      0.21114156     -1.27135859
 Cl              0.52704506      4.64522002      1.65640000     -1.38487016     -0.76797901      0.98669356      17       0       0       0      68     -1.19724277     -0.99856228      0.97709792
 Cl              5.82755003      6.55986004      3.65182995     -0.12907062      0.58221510      0.12949374      17      -1      -1       0      61     -0.03079421      0.23060205     -0.06216548
 Cl              9.16832000      7.46360999      3.78278997      1.92692456      0.48744349      0.42691794      17      -1      -1       0      64      1.68137896      0.41936201      0.35432797
 Cl              3.04378001      5.83667995      0.50644695      1.14039868      0.08786343     -0.49008379      17       0      -1       0      64      1.16796130      0.06982694     -0.66559850
 Cl             10.45920001      3.98184002      5.69475996     -0.78902119      1.43822922      0.30912592      17      -1       0       0      63     -0.71858241      1.45671569      0.39292771
 Cl              9.82762995      5.55050997      9.81403996      0.78346974     -1.03070603     -0.68804391      17      -1       0      -1      67      0.86411069     -1.02776909     -0.91831588
 Cl              5.35497005      3.83631005      5.74144996      0.83190530     -0.56913308      0.39878257      17       0       0      -1      66      0.96039757     -0.32482057      0.19552537
 Cl              4.71864002      9.45892999     10.41339998     -0.46331476      0.66063562     -0.29832593      17       0      -1      -1      67     -0.69537470      0.80350550     -0.22205480
 Cl              0.12579697      9.34259999      8.49323005      0.71099240      1.17197445      0.68090633      17       0      -1      -1      63      0.48912335      1.31448237      1.08050126
 Cl              4.60403001      0.93262297      7.36887995     -1.40376228      0.17523447      1.83378628      17       0       0      -1      67     -1.26708641      0.03058785      1.86162333
 Cl              2.19949998      2.66576004      5.35636995      1.75163266      0.34910783      0.67028657      17       0       0       0      60      1.58501310      0.36374784      0.44431295
 Cl              9.47848003      1.03209004      0.88979196     -1.61479693      1.01018744      2.24524280      17      -1       0       0      64     -1.62822348      0.94331243      2.29507169
 Cl              0.87718102      7.77179001     11.32520003      1.96394481     -2.44057014      1.09387477      17       0      -1      -1      65      2.07507005     -2.33419741      1.10397989
 Cl              5.75790005      3.49683001      9.82317997     -0.46259999      0.04132323     -0.22662052      17      -1       0      -1      62     -0.44730393      0.03204949      0.04065425
 Cl              3.81483997      2.64765004      2.15547003      1.84785545     -0.29406294     -0.16247898      17       0       0       0      60      2.02552699     -0.29962521     -0.44828403
 Cl              1.13529000      1.00498998      3.56540005     -0.88050350     -0.93393034     -1.97209613      17       0       0       0      65     -0.87581746     -0.79424692     -1.93932221
 Cl              1.91177005      8.39289994      3.53278005      2.41184294     -5.47943841     -1.02294795      17       0      -1       0      65      2.33551885     -5.40009932     -1.17092237
 Cl              8.12949000      9.07961995      5.99279994     -0.08985124      0.84602458      1.36439495      17      -1      -1      -1      61      0.07121014      0.57195924      1.39663207
 Cl              1.44326998      2.34570004      9.67332005     -0.04080462      0.16845001      0.24256035      17       0       0      -1      62      0.00565998      0.16721242      0.43289302
 Cl              4.55515996      8.32175996      7.11628002     -0.94254962     -2.15730655     -0.54002537      17       0      -1      -1      65     -1.01363826     -2.33487698     -0.36852955
 Cl              1.12299995     10.05120003      5.16880997     -1.61320672      3.19872245      1.82849777      17       0      -1       0      68     -1.55788820      3.13418701      1.59631016
 Cl              8.24160997      1.28695005      4.95446003     -4.51367515     -2.00670305      0.22887899      17      -1       0       0      65     -4.19743868     -1.64169860      0.22569041
 64
 energy=-225.12034907072174 stress="-0.00731103      -0.00857093       0.00422112      -0.00857093      -0.01674983      -0.00582838       0.00422112      -0.00582838      -0.00986113" free_energy=-225.24525111 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              2.39684999      8.46106999      4.43213998      0.13116829     -0.12846359      0.13526979       3       0      -1       0      65      0.06574299     -0.04214460      0.11897702
 Li              8.52131994      7.67072998      8.86074002      0.05247314     -0.28334088      0.65238304       3      -1      -1      -1      62      0.04237927     -0.24419026      0.72352174
 Li              6.05701997      8.12997000      3.20800995      0.06520549      0.15222922     -0.04784448       3      -1      -1       0      65     -0.14092952      0.40213978     -0.16140492
 Li              8.69192001      3.74027996      3.69439005     -0.61586673     -0.97135427     -1.56200831       3      -1       0       0      74     -0.66571118     -0.96016714     -1.46007298
 Li              0.41647001      8.26093003      9.73668003     -0.12127311      0.14247778      0.02056253       3       0      -1      -1      64     -0.21497326      0.10350063      0.13839280
 Li              7.31865998      5.74924005      5.74715000      0.61093587      0.32855938      0.21675521       3      -1      -1      -1      63      0.64766642      0.27461862      0.23295488
 Li              8.77488999     11.24880000      9.36422002     -0.15043350      0.21873543      0.96916611       3      -1      -1      -1      75     -0.05105785      0.29492515      1.14185979
 Li              5.52920005      9.46658996      5.46327000     -0.12296368      1.25943035      0.34115155       3       0      -1       0      69     -0.09348446      0.94874066      0.12895250
 Li              6.96140000      9.97815996      0.61649499     -0.51788358     -2.72527005     -0.68914896       3      -1      -1       0      63     -0.52756774     -2.67719219     -0.80947612
 Li              0.22871904      0.57829795      3.34508995      0.09016568      0.06031320      0.55198467       3       0       0       0      71      0.05700705     -0.03156145      0.59362853
 Li              2.65109001      8.43648003      1.31236005     -0.02773006     -0.28159921      0.26864400       3       0      -1       0      68     -0.00385053     -0.12612770      0.20922533
 Li             11.17040003      5.64040998      0.78732698     -0.23270613     -0.20862205     -0.41412575       3      -1       0       0      71     -0.14122640     -0.16688634     -0.46954157
 Li              6.92979000      3.34461005      9.95876996      1.23819833      0.89262122     -0.64495650       3      -1       0      -1      61      1.28440332      0.94865963     -0.74606675
 Li              4.82076004      7.06357001      7.75816001      0.06920201     -0.21960485      0.81904737       3       0      -1      -1      64      0.26701236     -0.19265883      0.85376294
 Li              3.42540996      5.56965004      4.42985996      0.31436790     -0.54953324      0.44692581       3       0       0       0      61      0.16428395     -0.63907808      0.43361936
 Li             10.99780002      3.18583000      9.58193002     -0.14768615      0.39160256     -0.54114464       3      -1       0      -1      62     -0.35906030      0.55633847     -0.19301324
 Li              1.73134005      3.10533001      1.36223999      1.27858367     -0.27717093      0.98571887       3       0       0       0      66      1.42474758     -0.28010853      1.15185559
 Li              3.59708996     11.31610003      8.16974005      0.02193328      0.09826875     -0.32466841       3       0      -1      -1      66      0.27780369      0.00140037     -0.36344266
 Li              2.02810005      0.21427702     11.30029996     -1.99073170     -1.85421528     -3.02412772       3       0       0      -1      65     -1.84676334     -1.80599627     -2.83262907
 Li             10.35170002      8.32171995      2.66001999      0.04681249     -2.61363944     -1.52001716       3      -1      -1       0      63      0.14169947     -2.64582774     -1.70427980
 Li              8.85187996      1.79896004      1.23371004      0.81031591      1.34512741      0.12320233       3      -1       0       0      63      0.75605599      1.06319883     -0.04739210
 Li              0.25169804      3.34305997      5.50297000      0.09496270      0.05414366     -0.06401799       3       0       0       0      65      0.05021965     -0.01169226      0.00162397
 Li              2.98973005      3.51506005      8.12298998     -0.82676983      0.35810754      1.25460972       3       0       0      -1      60     -0.60976186      0.54933605      1.07963054
 Li              4.54336000      5.42067997      0.60203199      0.08174044     -0.96824924     -0.11216706       3       0       0       0      64     -0.00074615     -0.90887119      0.00707304
 Li             11.29549998      6.32677001      6.28425003     -0.02330960     -1.73646651     -0.10003621       3      -1      -1      -1      70     -0.06843805     -1.81529732     -0.15292098
 Li              7.97746000      6.14225999      0.47535502      0.52908474     -0.25680207     -0.64261507       3      -1      -1       0      67      0.59494451     -0.21222041     -0.63469900
 Li              8.21276997     11.34010004      3.43220002      0.59232211      0.76823420     -0.53131204       3      -1      -1       0      67      0.73162841      0.92743459     -0.48746379
 Li              9.82914002      9.16515999      5.56522999      0.11401184      0.27150527      0.54170658       3      -1      -1       0      66      0.13142421      0.28070159      0.34277041
 Li              5.39525002      2.51713998      4.87313002     -0.32392017      0.34565429      0.17719232       3       0       0       0      64     -0.29849476      0.43535722      0.23817176
 Li              8.80025998      2.77770003      7.06977998      0.36049032     -0.03336298     -1.11726217       3      -1       0      -1      67      0.25344595     -0.13616360     -0.96272636
 Li              4.92774000      1.60127997      1.29735996      0.88595061      0.56067252      0.02231766       3       0       0       0      64      0.81218041      0.57408434      0.02214020
 Li              0.16340096      0.16558100      7.99821000      0.36856107      0.13432922     -0.34441739       3       0       0      -1      63      0.29261383      0.08596318     -0.26566879
 Cl              9.86050996      5.77832997      9.96175996     -0.25336067      0.91266094      0.14073569      17      -1      -1      -1      64     -0.33769623      1.10112884      0.12446082
 Cl              8.92294004      2.48534999      9.11833998     -0.54399351     -0.38433624      0.85947826      17      -1       0      -1      67     -0.56346244     -0.37821714      0.70706109
 Cl             10.93220004      1.24441997      5.48803996     -0.05811740      0.10419991      0.30680286      17      -1       0       0      68     -0.03038816      0.01128942      0.45116857
 Cl              8.62275005      9.29990002     10.58740001     -0.34321192     -0.58509143     -0.10142771      17      -1      -1      -1      66     -0.35904520     -0.50324681     -0.30317334
 Cl              0.62885703      3.70510996     11.29750004      0.85583989      0.73152897     -1.09798290      17       0       0      -1      64      0.85639106      0.51043524     -1.42351480
 Cl             11.38649564      0.20946696     10.23089999      0.03061026      0.51121664      0.55559398      17      -1       0      -1      63      0.08990402      0.57269245      0.38346309
 Cl              7.21130996      3.62071004      5.76390997     -2.37546878     -0.57092033      1.32504108      17      -1       0      -1      66     -2.25552735     -0.54704551      1.46450168
 Cl              3.96865003      4.22902997      6.53117996      1.70273880      2.69185569     -1.84674320      17       0       0      -1      66      1.78902840      2.80655574     -1.75064233
 Cl              4.82904001      7.39566005      1.37775998      0.28712197     -0.04261680     -0.44457920      17       0      -1       0      66      0.16352180      0.00053251     -0.35961985
 Cl              2.81018005      1.83920001      6.96165004     -0.83237280     -3.31948685      0.26030879      17       0       0      -1      61     -0.98579931     -3.62466537      0.36907903
 Cl              0.79378205      8.05519000      5.97520995      1.25916599      2.04353992     -0.24961941      17       0      -1      -1      65      1.34938298      1.97903901     -0.36497103
 Cl              7.44245999      9.81608003      4.49803999     -0.32915210     -1.40755506      0.49702350      17      -1      -1       0      64     -0.36707266     -1.48862779      0.50714763
 Cl              2.88167004      1.14834002      1.17165997      0.67964321      0.35720800      2.23620380      17       0       0       0      68      0.51579283      0.38457452      2.12119384
 Cl              4.16131998      9.74882999      3.18830996     -0.46146443      0.38434108      0.22024621      17       0      -1       0      60     -0.49206085      0.01178548      0.45842864
 Cl              2.38516996      9.71711005      9.36197004     -0.03239288     -0.20599919      0.35425960      17       0      -1      -1      67     -0.18837813     -0.17115562      0.48412488
 Cl              7.56516001      0.28894102      0.82163796     -0.11969251      1.59969651      0.09931820      17      -1       0       0      65     -0.03878116      1.75701332      0.15539002
 Cl             10.53230004     10.04400001      3.39365998      0.33299498      2.72202728      0.84210087      17      -1      -1       0      71      0.31494643      2.59547860      0.91200047
 Cl              9.61734995     10.98390004      7.53008997     -0.44541371     -1.12513399     -1.12194909      17      -1      -1      -1      63     -0.41618468     -1.02689460     -1.13598793
 Cl              0.29003803      7.91916001      0.61132299      0.54712454      0.23600465      0.13158387      17       0      -1       0      66      0.47410809      0.28618392      0.17186467
 Cl              8.50150004      7.10752005      2.44115003     -0.70899296      0.05401891      0.23487510      17      -1      -1       0      68     -0.66654428     -0.03190128      0.29326746
 Cl              6.20635002      5.92371997      9.60902000     -0.10914086      0.19522185     -0.00021227      17      -1      -1      -1      65     -0.07846656      0.24674894     -0.11190969
 Cl              5.20191996      2.62163002     10.63140003     -1.24143407     -0.45598804      0.39376920      17       0       0      -1      61     -1.25975529     -0.52186306      0.17995378
 Cl              4.55719005      7.64663997      5.70305001     -0.15323086     -1.47527545     -0.84216647      17       0      -1       0      67     -0.23052542     -1.31237583     -0.84151751
 Cl              7.18543003      1.84338000      3.54327995      0.15500596     -0.45123437     -0.90904692      17      -1       0       0      68      0.19417690     -0.25926878     -0.98115896
 Cl              4.24226995      3.61610003      2.45526004      0.21202808      0.91591468      0.29781814      17       0       0       0      63      0.21628620      0.97755323      0.18874353
 Cl              5.45066996     10.12239998      7.63026003      0.20917426      0.09557026      0.20398526      17       0      -1      -1      65      0.22926427      0.09805407      0.14036205
 Cl              9.39258001      4.02414001      1.01007003     -1.58322029     -0.32095619      1.08108730      17      -1       0       0      67     -1.88721098     -0.35433033      1.22716043
 Cl              9.53124002      4.72109005      5.16959000      3.11147566      1.78688528      0.71518861      17      -1       0       0      67      3.08481414      1.47719913      0.75721707
 Cl              9.62303004      7.30937002      6.99988994     -2.19788383      0.71074492      0.22990592      17      -1      -1      -1      64     -2.11772035      0.74800132      0.23222735
 Cl              0.67162396      4.63389996      7.58486997      0.10689264     -0.58259206      0.07616692      17       0       0      -1      65      0.08735084     -0.63522786     -0.05684512
 Cl              0.42571205      2.70454004      2.97114003     -0.32126956      0.41390700      0.35307871      17       0       0       0      68     -0.22762652      0.29604708      0.45352494
 Cl              1.76328997      6.44847997      3.36895995     -0.03521479      0.18632612     -0.64761235      17       0      -1       0      68      0.16408396      0.44429197     -0.58036273
 64
 energy=-224.81700381608636 stress="-0.00469026      -0.00168539      -0.00207157      -0.00168539      -0.01702690       0.00624278      -0.00207157       0.00624278      -0.01411459" free_energy=-225.05530306 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              4.84877003      0.10780103      1.02591997     -0.20248748     -0.63338000     -0.20497658       3       0       0       0      63     -0.11977826     -0.46008828     -0.13779124
 Li              8.56209002      3.33029002     10.27840005     -0.65816102     -0.35072439      0.56627468       3      -1       0      -1      71     -0.47857654     -0.39766826      0.40982091
 Li              6.50677996      0.67233497      8.68295001      0.09191743      0.49976655      0.15126139       3      -1       0      -1      69     -0.01397439      0.44755614     -0.05169717
 Li              4.11726000      4.24813003      5.02636996     -0.22464045     -0.26120503     -0.27447742       3       0       0       0      67     -0.20418339     -0.33488586     -0.16925647
 Li              3.62310998     10.99130001      4.74761003     -0.91654237     -0.32517595      0.91430505       3       0      -1       0      68     -0.77762168     -0.05748135      0.90112392
 Li              9.77344002      6.43871997      9.01673001     -0.01837113     -0.41450472     -1.35076275       3      -1      -1      -1      67      0.06336247     -0.30236136     -1.38806003
 Li              0.60306802      4.41156997     10.95230002     -0.54121303      0.55417907     -0.53349081       3       0       0      -1      72     -0.34837746      0.45814695     -0.50639887
 Li             10.24849995      4.12891997      2.83781000     -0.46520852     -1.58722577     -0.52460082       3      -1       0       0      65     -0.47439128     -1.58902693     -0.69064599
 Li              5.89232000      6.61399998     11.13229999      0.21236744      0.97005079      0.06173709       3      -1      -1      -1      67      0.29258710      0.90519613     -0.00509248
 Li              3.60495996     10.75560002      9.35973003     -0.76731615      0.23373180     -0.19727621       3       0      -1      -1      63     -0.73832130      0.14177154     -0.17685916
 Li              9.10936001     10.47489999     10.96379995      0.21024503     -0.05709766      0.46517439       3      -1      -1      -1      60      0.35362095     -0.24130124      0.49865907
 Li              0.60958902      1.20220001      0.37098800      0.18771564     -0.29552349      0.11031386       3       0       0       0      67      0.24540446     -0.22571078      0.02879763
 Li              9.49245005      7.17691998      1.18484997     -1.24821457      0.16261595      0.35011825       3      -1      -1       0      62     -1.07897854      0.20169295      0.38446708
 Li              7.27636997      5.49971002      3.67585999     -0.26350048      1.21394045     -1.12922063       3      -1       0       0      70     -0.26645649      1.31105623     -0.97044046
 Li              7.25547002      1.71352995      4.19604998     -0.11196720      0.23750685     -0.34477171       3      -1       0       0      64     -0.15551469      0.17187938     -0.30839171
 Li              5.91280002      4.69355996      7.53900001     -0.71201145      0.59381965     -0.27373202       3      -1       0      -1      66     -0.69461969      0.44177762     -0.19275967
 Li              8.93354003      9.98535999      6.46191003     -0.52299053      1.01492948     -0.35070204       3      -1      -1      -1      67     -0.53191718      1.10342429     -0.28521330
 Li              0.91331804      8.40084996      8.79327995     -1.49413488     -2.90713123      1.61912729       3       0      -1      -1      66     -1.49501869     -2.86554991      1.87675540
 Li              2.99366001      3.75921001      1.96943996      0.37850298      1.42091876      1.91929172       3       0       0       0      64      0.23709484      1.35232688      1.75797658
 Li              0.49508195      7.34750996      4.07272998      0.20676877     -0.56349119     -0.49413325       3       0      -1       0      63      0.22946185     -0.60139987     -0.69443294
 Li              6.60458999      9.27633003      2.45221994      0.31923654      0.26078071     -0.07926970       3      -1      -1       0      66      0.32451178      0.26712672     -0.07908295
 Li              9.86881996     10.58220004      3.05542003      0.51752716      1.29682419      0.84753808       3      -1      -1       0      66      0.57982193      1.19089263      0.94479200
 Li              0.34748600      1.52956001      4.77330996      0.29042867     -0.53268461      0.21274889       3       0       0       0      64      0.36280345     -0.44494961      0.27064058
 Li              0.20166999      0.27260098      7.95507003      0.53233446     -0.16954254      0.57230363       3       0       0      -1      59      0.33277307     -0.08813030      0.49915942
 Li              9.02063004      3.46588998      6.76223003      0.04259076     -0.23316545      0.02139605       3      -1       0      -1      63      0.01059401     -0.23711794     -0.04276706
 Li              6.92763999      8.68308999      9.11376998      0.26443932     -0.51992924      0.14786985       3      -1      -1      -1      65      0.28246395     -0.53358811      0.19950301
 Li              3.72689003      3.04488000      9.96864002     -0.43719865      1.14609307     -0.17037711       3       0       0      -1      67     -0.36040305      1.09423289     -0.09329059
 Li              4.17473995      7.84227997      6.77405005      0.32134713     -0.62591523      1.14822980       3       0      -1      -1      63      0.31284589     -0.62424477      1.00128420
 Li              3.96395002      6.97392003      2.68129002     -0.45184835      0.08314398      0.09291419       3       0      -1       0      69     -0.36723812      0.16111587      0.18376528
 Li              2.10539005      9.71844002      1.07805997     -0.03281857     -0.80904429     -0.53067355       3       0      -1       0      65     -0.02470951     -0.62039978     -0.63528648
 Li              1.65785000      4.08433997      6.93569995     -0.41344994      0.36363998     -0.00087891       3       0       0      -1      60     -0.33992908      0.31113191      0.04208200
 Li              6.12202003      2.88770002      0.85676406      0.53811368      0.79304484     -0.09004956       3      -1       0       0      62      0.44648115      0.65951362     -0.00846299
 Cl             10.23700002      6.05992995      2.61428004      0.84423858      1.08651875      1.65389681      17      -1      -1       0      66      0.83518942      0.92709362      1.62693720
 Cl              0.76948202     10.77270003      2.32264996     -0.59698040      1.01164670      0.85491013      17       0      -1       0      63     -0.42169650      0.90405686      0.61615681
 Cl              4.89094998     11.41190002      3.22085005      1.10029748     -0.14135090     -1.06402193      17       0      -1       0      64      1.00481587     -0.28022580     -1.05480570
 Cl              4.80165998      1.68226995     11.02920000      1.06992611     -1.80026658     -0.45954559      17       0       0      -1      67      1.12094616     -2.05333119     -0.46456446
 Cl              5.26472002      4.73644003     10.84759996     -0.84088330     -2.10375806      1.16909612      17       0       0      -1      68     -0.87519889     -1.83958121      1.14684507
 Cl              3.78690003      8.52342994      4.94704998     -0.73070030      2.00186118     -1.79245310      17       0      -1       0      65     -0.89294122      1.96324158     -1.60060450
 Cl             10.12419998      7.22959995     10.83479997      0.71164867      0.67646542     -1.20287973      17      -1      -1      -1      59      0.49332445      0.54755380     -1.34743059
 Cl             10.18219996      1.86722995     10.94580000     -0.23212785     -1.47800734      0.20441031      17      -1       0      -1      70     -0.46521152     -1.20533746      0.31100282
 Cl              3.84195001      9.75773006     11.21429997      0.74352848     -0.35001261      0.51552716      17       0      -1      -1      73      0.79232323     -0.38895239      0.59623650
 Cl              6.54158001      6.98007004      1.83489001     -0.38042182      0.14632351      0.66077730      17      -1      -1       0      65     -0.60764515      0.09067038      0.67718901
 Cl              1.43516003     11.45270002     10.12419998     -0.43117416      1.02375398      0.58182747      17       0      -1      -1      67     -0.35527293      0.96885851      0.53657883
 Cl              9.35767001      9.12937997      1.84321996     -0.89138638      0.23606288     -0.55193545      17      -1      -1       0      70     -1.00458375      0.36967249     -0.69721723
 Cl              0.60538197      6.01375997      8.23850005      1.29710531      0.53861685     -0.51057348      17       0      -1      -1      64      1.30268835      0.47533074     -0.50647476
 Cl              7.53077003      3.89111997      4.79839002      0.26035547     -1.31852583      1.63219832      17      -1       0       0      66      0.34682356     -1.25626942      1.52777846
 Cl              4.87240995      3.22512004      2.57758001      0.49575941      0.22190548      1.43443266      17       0       0       0      65      0.50026984      0.22069375      1.38740030
 Cl             10.88530001      3.41865004      4.65412994      0.32020913      0.07773959      1.21720814      17      -1       0       0      65      0.38981059     -0.01963566      1.32023165
 Cl              2.50426995      1.69439996      5.49937996     -0.23296596     -0.43655478     -0.38985056      17       0       0       0      68     -0.39361001     -0.44710749     -0.31495952
 Cl              9.95755005      0.70817804      6.67709995      0.40010029      0.22528895      0.21709787      17      -1       0      -1      63      0.55000303      0.11477002      0.22409800
 Cl              9.45800998      8.27855006      7.48638997      0.31822526     -0.67194294      0.41675082      17      -1      -1      -1      66      0.23412846     -0.73524522      0.74643350
 Cl              6.66307994     10.22640003      7.62766005     -0.60900470      0.39753005     -0.37712293      17      -1      -1      -1      66     -0.61245966      0.34747944     -0.08537488
 Cl              5.13463999      6.07639002      5.73016005      0.87657968     -0.84374488      0.19922524      17       0      -1       0      64      0.74955172     -0.72073774      0.28122913
 Cl              6.24895002      6.41896999      8.90102997      0.83434577      2.05206654     -0.76314886      17      -1      -1      -1      65      0.85895048      2.10351406     -0.83901567
 Cl              8.07427000     11.13129996      4.43864000      0.09363869     -0.58225206     -0.49929666      17      -1      -1       0      65      0.24916990     -0.54526339     -0.64977176
 Cl              1.88162002      7.39141999      0.80837402      0.32561262     -0.22071136      0.53285908      17       0      -1       0      63      0.39460152     -0.09718289      0.44236351
 Cl              6.90618998      9.96266002     11.14939999      0.54692194      0.25305786     -0.15408154      17      -1      -1      -1      67      0.66824745      0.32620646     -0.29995069
 Cl              2.08981995      3.07267997      0.44737301     -1.71599321     -0.75639377     -1.97962177      17       0       0       0      63     -1.76441774     -0.62258287     -2.03587039
 Cl              8.50199999      3.19735997      1.77318995     -0.89978026     -0.15439485     -0.42164628      17      -1       0       0      64     -0.93776873     -0.21436535     -0.48949129
 Cl             10.06929995      4.15584005      9.15403998     -0.16422108      0.33526014     -1.07192432      17      -1       0      -1      67     -0.11032289      0.16943858     -1.05739930
 Cl              2.29419000      5.79735002      4.01520005     -0.07903528     -0.70507223     -0.21114384      17       0      -1       0      63     -0.19711372     -0.64124998     -0.29289592
 Cl              1.66361000      9.81991999      7.85357997      1.81119293      1.57592962     -2.88216330      17       0      -1      -1      65      1.56764341      1.60349478     -2.78015452
 Cl              6.87700994      2.90218996      8.05570004      0.98586498     -1.19690322      0.46048947      17      -1       0      -1      65      0.92292428     -1.07305619      0.60313885
 Cl              3.57668996      3.46637997      7.82447996      0.13766369      0.34061857     -0.07050870      17       0       0      -1      65      0.05301342      0.41311175     -0.09053598
 64
 energy=-221.98995590598054 stress="-0.02441590      -0.00244874       0.00583308      -0.00244874      -0.01441449       0.00035316       0.00583308       0.00035316      -0.02035415" free_energy=-221.81381562 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.29247996      0.23624797      0.87669895     -1.91223342      0.19826830     -2.73121328       3      -1       0       0      66     -1.72795532      0.19042378     -2.88399019
 Li              8.90790005      7.23376997      6.43570005      0.87210014     -0.21622161     -0.56771518       3      -1      -1      -1      62      0.90940999     -0.13240311     -0.57466380
 Li              3.59056999      2.21389006      1.05761996      0.51814908     -0.03996011      0.13306690       3       0       0       0      68      0.39361617     -0.17994940     -0.09388605
 Li              5.56468004      8.53445996      7.51283004     -3.25092831     -0.08283891      1.95130299       3       0      -1      -1      66     -3.29940497      0.07723463      1.75513281
 Li              3.69756004      7.12295005      1.70638002      3.11712023      1.26703373     -1.64601789       3       0      -1       0      71      3.03760689      1.31518827     -1.73047346
 Li              7.68352996     11.30780000      7.21800005     -0.36597070      0.16308806     -0.58421009       3      -1      -1      -1      66     -0.48991107      0.31436749     -0.35559819
 Li              1.22871001      1.74142002      3.83377002      0.53612071     -0.52083836      0.26074412       3       0       0       0      67      0.59810131     -0.44599045      0.38593298
 Li              9.03151996     10.20090003      3.93054998     -0.46467867     -0.03588078     -0.69504151       3      -1      -1       0      66     -0.45525785     -0.12966198     -0.49071400
 Li             11.19730005      7.69607005      0.21376297     -0.47010111     -1.24789292      0.36268543       3      -1      -1       0      68     -0.37507679     -1.27365190      0.50207667
 Li              1.99835001      1.36773000      9.61636000      0.75267659     -0.07398151      0.34566122       3       0       0      -1      65      0.79574477     -0.15828241      0.32012711
 Li              0.30082901      5.24032002      3.20715998     -0.29843320      0.16411961     -0.07819010       3       0       0       0      70     -0.34772990      0.11230229      0.03442007
 Li              0.23668499     10.54349995      6.26716000      0.07496742     -0.16865075      0.03123078       3       0      -1      -1      71      0.09326544     -0.22746991      0.17899162
 Li              7.48752000      6.85204005      2.63683005      1.89680646     -0.22143653     -0.45370689       3      -1      -1       0      63      1.92380419     -0.13606360     -0.48016973
 Li              6.03331998      3.45310995     10.03370004      0.73590295     -0.66146060     -0.38307706       3      -1       0      -1      64      0.67394938     -0.69334007     -0.46231979
 Li              6.35958995      4.02898997      6.81983999     -0.08758954     -0.31625397      0.51674247       3      -1       0      -1      66     -0.21263819     -0.53836612      0.77764119
 Li              9.75870005      2.57370004      2.51669998      0.14910456      0.33958189     -0.11383308       3      -1       0       0      62      0.10216151      0.59445866      0.03478834
 Li              1.44263004      4.03619997      6.58730002      0.36192851     -0.26983368      0.35200139       3       0       0      -1      67      0.22735374     -0.47403054      0.30220433
 Li              3.99873000      0.62242695      6.63198996      0.42321949      0.00400297     -0.31819012       3       0       0      -1      66      0.35579483     -0.00400920     -0.32585422
 Li              3.83430999     10.67779998      2.36198998     -1.32379335     -0.08597918     -0.61746041       3       0      -1       0      62     -1.28723217     -0.13963189     -0.78089205
 Li              0.77108198     11.10710001      1.10627999      0.37274394      0.46201936      0.79637360       3       0      -1       0      64      0.39483622      0.31991792      0.77648345
 Li              5.76535997      9.19149000      4.41890000      0.62428212     -0.76132446     -1.15736241       3      -1      -1       0      64      0.51511407     -0.62703988     -1.00105771
 Li              0.08989280      6.71725004      8.01224996      1.62730594     -0.73923547     -2.60130537       3       0      -1      -1      61      1.74070489     -0.60159830     -2.48356563
 Li              3.81429003      6.01018002      9.79384999     -0.67992216     -0.12195841      0.47808218       3       0      -1      -1      62     -0.70529746     -0.14651024      0.42220661
 Li             10.03249996      3.60366002     10.58040003      1.41464663      0.02547885      0.19633303       3      -1       0      -1      62      1.39111153      0.01239246      0.50557765
 Li              5.42616001     10.38880004     11.06670000      0.14571895      0.98827721      0.67682993       3       0      -1      -1      67      0.04553891      0.89945791      0.50442081
 Li              6.76158001      1.56147003      3.62565000     -0.54178140     -0.61475519     -0.46158377       3      -1       0       0      64     -0.49175548     -0.60648329     -0.40375185
 Li              9.74200003      3.65045996      5.62546996     -0.52012922      0.29813803      0.67726318       3      -1       0       0      62     -0.32997713      0.33865911      0.50620723
 Li              2.64517994      8.25332004      4.74257996     -1.79818734     -0.21859884     -1.23367456       3       0      -1       0      65     -1.76833918     -0.17096840     -1.17024994
 Li             10.18960003      9.96627998      9.49066002     -0.55165425      0.13008985      0.26317464       3      -1      -1      -1      67     -0.26154003      0.05387812      0.16210290
 Li              8.55647997      5.93827995      9.25595995     -0.38483882     -0.34920060     -0.10894311       3      -1      -1      -1      62     -0.05326934     -0.29977185     -0.10301858
 Li              4.68133995      5.33410001      4.21575995     -0.30140615     -0.20194750      0.21789839       3       0       0       0      68     -0.31541774     -0.32224164      0.25018865
 Li              2.17101995      9.44376997      9.27221000      0.10446130     -0.06285858      0.28774870       3       0      -1      -1      63      0.02910489     -0.23928207      0.39400060
 Cl              8.13349997      4.02722000     10.22949997     -2.94208890      0.14313322      4.49663762      17      -1       0      -1      65     -2.96521099      0.26843945      4.17380779
 Cl              4.28895995      3.96576000     10.95340001     -1.73312661      0.41497158      0.93322315      17       0       0      -1      64     -1.74275192      0.43374066      0.94943982
 Cl              8.84483000      8.21437003      3.33868004      0.50209110     -0.37550445     -0.17393614      17      -1      -1       0      65      0.49637522     -0.31405526     -0.17629961
 Cl              8.16545998      3.21459996      4.01404995     -0.16562844      0.56832491      0.60638893      17      -1       0       0      65     -0.10963854      0.55016974      0.76991251
 Cl              5.97920996      1.65073997      7.86974002     -0.16944039     -0.00758779     -0.17712036      17      -1       0      -1      62     -0.17463010      0.13892533     -0.43327300
 Cl              7.13274995      8.29287995      6.61166001      3.02052287     -0.62870728     -0.94166257      17      -1      -1      -1      62      3.01689654     -0.88252878     -0.74124709
 Cl              0.07878368      8.92050996      8.22871999      0.39574426      1.18906986     -2.19945673      17       0      -1      -1      66      0.25378722      0.90225714     -2.18332071
 Cl              2.07788002      5.62619003      7.85773004     -0.31395624      0.64854122      0.57789013      17       0       0      -1      62     -0.47530844      0.47340159      0.46572368
 Cl              4.25626004      8.75643995     10.66319999     -1.21181806     -1.60447154     -1.25899798      17       0      -1      -1      64     -0.97237470     -1.41369610     -1.26177816
 Cl              8.99750005      4.07470001      7.98730999      1.10346220     -0.12611030     -5.01706762      17      -1       0      -1      63      1.01204897      0.00377495     -4.89913945
 Cl              8.98645995      0.34794801      2.58418997      1.85731375      0.68811972      2.29183554      17      -1       0       0      72      1.72398635      0.53247736      2.13502914
 Cl              3.76295000      3.61829005      5.08311000      0.04693451     -0.06747324      0.50236183      17       0       0       0      65      0.12571324     -0.26281537      0.48228525
 Cl              5.06155005      9.08425003      2.21887003      0.30824869      0.49046620     -0.40962488      17       0      -1       0      63      0.34798352      0.41286393     -0.33864317
 Cl              2.89273995      0.32110795     11.30359995      0.39817649     -0.33062922      0.12952462      17       0       0      -1      65      0.37857811     -0.16292655      0.03273620
 Cl              0.32423896      3.55886002      4.81224002      0.54213079     -1.64764539     -1.06776863      17       0       0       0      64      0.49372354     -1.59974865     -1.10051195
 Cl              0.31417504      9.58759005     11.08459999      0.15333953      0.84027213      0.55310906      17       0      -1      -1      59      0.06248242      0.97691793      0.60900993
 Cl              2.31226000     10.51670002      7.30748999      1.03722709      1.40010219     -0.12347384      17       0      -1      -1      68      1.12264605      1.41553503     -0.15908285
 Cl             10.48219999      6.90103002      9.55673004     -2.48742148     -1.33433511      3.88443423      17      -1      -1      -1      63     -2.65947567     -1.35574019      3.59424999
 Cl              0.50429499      1.95064003      8.40492001     -0.90419982      0.45828426     -0.56710421      17       0       0      -1      69     -0.85524644      0.55054002     -0.71949972
 Cl              5.11208999      5.66260999      8.27001994      2.07432746     -0.04583774     -1.27672928      17       0       0      -1      68      2.25663614     -0.16032190     -1.52027428
 Cl              6.37327005      1.66419995      0.93256496     -0.12162520      0.10707133      0.11852044      17      -1       0       0      64     -0.21236101      0.18590100      0.34681315
 Cl             10.05930001      4.95257003      1.56521999      0.44306609     -0.09287426     -0.09887906      17      -1       0       0      66      0.35555326     -0.19452228     -0.16128808
 Cl              5.61665003      6.44118995      2.68863002     -1.41601975     -2.08852611      0.18563900      17       0      -1       0      67     -1.46291884     -2.00642464      0.18159456
 Cl              6.47067000     10.98669996      4.98586998      1.43992288      1.41878910      1.19185030      17      -1      -1       0      64      1.47756815      1.47390922      1.21268374
 Cl              7.49068002     10.74589998     10.58110004      1.22668382     -0.76575584     -1.32695855      17      -1      -1      -1      66      0.96239762     -0.82119469     -1.14085144
 Cl              2.12010995      6.64719997      2.53450997     -3.13997358     -0.76680845      1.76977044      17       0      -1       0      68     -2.92496661     -0.86371929      1.86831714
 Cl              1.19591999     10.47080002      3.57210000      0.11807579     -0.12692479      0.15566875      17       0      -1       0      68      0.16273072     -0.01947421      0.04689653
 Cl              9.47396000     10.38560001      5.85865995      1.02680077      0.66641695      2.23110886      17      -1      -1      -1      68      1.04319100      0.86285565      2.11185518
 Cl             10.54449998      5.84752000      5.75462001     -0.27515118      1.79431794      0.25799668      17      -1      -1      -1      60     -0.40894444      1.78727112      0.35956750
 Cl              4.25679003      8.75725999      5.71527999     -0.08491274     -0.47991664      1.22928863      17       0      -1       0      67     -0.12380811     -0.40855972      1.24688123
 Cl              0.83136001      1.91714003      1.73804998     -0.51142994      0.44575616     -0.63458038      17       0       0       0      66     -0.32659707      0.52728789     -0.50361722
 Cl              4.42343997      0.72154402      3.47123005     -0.99288313      2.18648146      0.36249793      17       0       0       0      63     -0.98448131      2.28792527      0.27972557
 64
 energy=-224.74598697703456 stress="-0.00198369       0.00340976       0.00145781       0.00340976      -0.00571920      -0.00551690       0.00145781      -0.00551690      -0.02423259" free_energy=-225.13194654 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.02105997      9.71655002      7.91308004     -0.24786797      0.06520546     -1.05962567       3      -1      -1      -1      63     -0.30072166     -0.00260231     -1.12931135
 Li              1.08076004      3.99792005      0.58184202     -0.16969059     -0.89499151      1.21727805       3       0       0       0      65     -0.10145307     -0.70889894      1.09005801
 Li              2.48333996      9.81508000      6.21273998     -0.94610952     -0.52821027     -2.04698897       3       0      -1      -1      66     -0.93295141     -0.53301371     -1.94116199
 Li              8.61256002      5.39515005      2.75968999      1.26661767     -3.58643527     -0.09994491       3      -1       0       0      64      1.16089228     -3.54271183     -0.06686173
 Li              4.05993000      5.02363997      1.15891995      0.40461056      1.62758384     -0.64296451       3       0       0       0      62      0.15027704      1.59259956     -0.71160712
 Li             10.77249998      3.94175001      5.50999004      0.38346004      0.43955829     -1.36207214       3      -1       0       0      70      0.34100024      0.36529735     -1.23878196
 Li              4.09422001      3.70295995      9.28187003      0.13658465     -0.42063336     -0.11990160       3       0       0      -1      65      0.15229418     -0.40863628     -0.02499249
 Li              9.87723004      9.69242000      8.73347000      0.45816185     -0.11695439      0.13413491       3      -1      -1      -1      68      0.44227228     -0.18817327      0.26711430
 Li              7.39122005      2.77407995     11.28899996      0.52061477     -0.10720808      0.05173765       3      -1       0      -1      67      0.53095415      0.00762655     -0.08712893
 Li              1.51435998      1.45551004      7.83690999     -0.52687098     -1.29765303     -2.65341251       3       0       0      -1      68     -0.60511677     -1.30965887     -2.43137343
 Li              7.39339998      1.39309002      3.94891003      0.05266311      0.10652570     -0.81827404       3      -1       0       0      65      0.03999508      0.15703802     -0.75013167
 Li              4.88848998      5.91338000      6.53025995     -1.05887601      0.89283724      0.76229174       3       0      -1      -1      65     -1.00062301      0.98824526      0.78194193
 Li              2.74679003      3.77300005      4.09483999     -0.74214362      0.43257335      1.64820398       3       0       0       0      67     -0.61370709      0.56161328      1.58633094
 Li              4.52618995      1.32021996      1.62830002     -0.10286305      0.37386186     -0.03869134       3       0       0       0      63     -0.21333389      0.44388670     -0.24559654
 Li              0.82238199      6.55619995      3.89311005      0.05448916      0.26900408     -0.38835394       3       0      -1       0      66      0.10113436      0.27377212     -0.62306806
 Li              5.38676004      9.15548998      0.15691986     -0.08811351      0.67284159     -0.40335568       3       0      -1       0      70      0.02206468      0.66610850     -0.47867188
 Li              2.05864995      8.98129002      1.23442003      0.13640127      0.39283561      0.36022328       3       0      -1       0      66      0.16685468      0.49063393      0.42344684
 Li              9.61280998      1.36948002      1.81695999      1.01971835     -0.64057321     -0.16352679       3      -1       0       0      70      0.85122387     -0.59299777     -0.19672941
 Li             10.86950006      7.13114002     11.24199997      0.16753452     -0.27010965     -0.07166447       3      -1      -1      -1      66      0.10691707     -0.29756599      0.04334360
 Li              6.16000005      9.39236001      4.26753000      0.32223099      0.95112138     -2.26253166       3      -1      -1       0      65      0.39733415      0.93550172     -2.08440850
 Li              9.88335002      0.58262297      6.60721003     -0.07933060     -0.24239628     -0.11136869       3      -1       0      -1      65     -0.09753254     -0.33592820      0.01299367
 Li              1.23039996      0.44225501      3.52642001      0.27774653      0.41826350     -0.50433883       3       0       0       0      69      0.10728183      0.44949087     -0.38888693
 Li              7.89129997      6.83192999      5.87165002      0.02763469     -0.04864190     -0.40912153       3      -1      -1      -1      65     -0.02126639      0.07664723     -0.47741805
 Li              8.53893997      9.38853002      1.42078004      0.07372036     -0.56971645      0.27921750       3      -1      -1       0      61      0.25803314     -0.58348465      0.37623010
 Li              3.91436998      0.16860505      9.45831000      0.67330457      0.73391594      0.94022873       3       0       0      -1      73      0.68218889      0.67751026      0.99659012
 Li              4.47776002      1.61847994      5.79405002      0.27504458      0.39861623      1.17297829       3       0       0      -1      68      0.33188932      0.22431435      1.13712755
 Li              0.48801996      0.66148804     10.95810002      0.41280317      0.18469546      1.21430245       3       0       0      -1      64      0.52641640      0.25047128      0.96771529
 Li              6.79293000      5.67123995     10.00500002     -1.39726353      1.32170161      1.53003960       3      -1       0      -1      65     -1.34697202      1.38313567      1.54947134
 Li              1.96516998      6.74716998      8.88668999     -0.09105180      0.05516277      0.10423509       3       0      -1      -1      65     -0.14527757      0.19128953      0.09416529
 Li              7.72498995      3.03878995      7.51183998     -0.48670700     -0.74204306     -0.49730842       3      -1       0      -1      71     -0.37208816     -0.86666292     -0.33162018
 Li             10.43819997      9.27793996      4.61321003      0.24703865     -0.22677152     -0.60990489       3      -1      -1       0      64      0.14601026     -0.12772422     -0.53794661
 Li             10.86950006      4.08921000      9.14770001     -0.76056935     -0.75120787      0.10914927       3      -1       0      -1      69     -0.68941983     -0.75370917     -0.05861944
 Cl              7.20891002      1.01237997      6.01943995      0.56859586     -0.01644705      0.36929302      17      -1       0      -1      68      0.37533007      0.06844044      0.20540631
 Cl              7.84389002      7.04701994      2.73501003     -2.68679333      4.05489130     -0.51652654      17      -1      -1       0      68     -2.72496461      4.00286860     -0.56645659
 Cl              1.65587001      5.78874000      1.77449000     -0.60709850      1.16335420      0.33267710      17       0      -1       0      66     -0.49038664      1.07484529      0.30829493
 Cl              3.51965001     11.16469999      0.39681989     -0.02166050     -0.63091662     -0.05259720      17       0      -1       0      66      0.09575305     -0.57926195      0.03665717
 Cl              0.28131991     10.97930000      1.54960003     -0.39407222      0.26242403     -0.89489686      17       0      -1       0      67     -0.54383444      0.15918694     -0.99124397
 Cl              9.85228996      6.09546005      4.44642998      1.56073010     -0.61519976      1.57791472      17      -1      -1       0      63      1.47843599     -0.62031175      1.67135542
 Cl              2.23539005      6.03648997      5.50471005      0.37768697     -0.43734657      0.67951094      17       0      -1       0      65      0.39614065     -0.61051740      0.61852845
 Cl              4.85265998      6.22821997      8.91111005     -0.93818136     -0.23457255     -0.18165662      17       0      -1      -1      58     -0.84346875     -0.15676812     -0.15366968
 Cl              0.10911599      8.08483995      9.35401004      0.51910955      0.20996058     -0.44870180      17       0      -1      -1      67      0.66243593      0.30580183     -0.43847824
 Cl             11.30810002     11.21260005      4.97059004     -0.10183987      0.62271898      0.80223310      17      -1      -1       0      64     -0.16197108      0.75545702      0.75281259
 Cl              1.56707996      8.97005995      3.53870995      0.25222402     -0.67303688      0.52915628      17       0      -1       0      69      0.56759502     -0.78131658      0.35400163
 Cl              7.88844995      4.77121005      8.73581995      1.57753262     -0.23749954     -1.25918231      17      -1       0      -1      64      1.49354747     -0.33054159     -1.33671258
 Cl             10.18920004      2.90073995      7.20501996     -0.20479629     -0.37337069      0.48636120      17      -1       0      -1      72     -0.06589685     -0.29429921      0.45805495
 Cl              8.03048000      2.68302995      1.98040004     -2.14655924      0.74936248      1.58274469      17      -1       0       0      65     -2.18276801      0.54096893      1.82205274
 Cl              6.07834995     10.28339997      9.78821002      0.50990392      0.27065303      1.65903338      17      -1      -1      -1      66      0.45607169      0.04557477      1.62304233
 Cl              5.34851004      2.61627001     10.89108007     -0.69012824      1.16529187      2.61458991      17       0       0      -1      65     -0.68494675      1.15652495      2.84087144
 Cl              0.85243595      5.13965997     10.34709998      0.20442678      1.04095211     -1.21295958      17       0       0      -1      65      0.29917217      0.96019623     -1.32501732
 Cl              3.15312000     10.43110002      7.93719000      0.16377228     -0.13660687      0.51061281      17       0      -1      -1      61      0.24261530     -0.11535476      0.57284112
 Cl              5.96654995      4.73878998      5.35734006      1.09316559     -0.77975612     -0.66789539      17      -1       0       0      67      1.06244154     -0.84336365     -0.63655590
 Cl              4.23111004      0.71056903      3.93019000      0.56186174     -1.11344158     -1.00766593      17       0       0       0      63      0.75976422     -1.05348513     -0.91616551
 Cl              3.46746999      3.48566999      2.26221005      0.52952323     -2.15613845     -0.68926334      17       0       0       0      66      0.64854811     -2.01866462     -0.73154628
 Cl              6.15415005      8.68459995      6.06316001     -0.33635495     -1.60728787      1.33151440      17      -1      -1      -1      62     -0.30621268     -1.69156729      1.41247152
 Cl              5.32615997      1.86845995      8.39322003     -0.74147251     -0.17116626     -2.72186947      17       0       0      -1      62     -0.82641882     -0.03901721     -2.94273532
 Cl              9.33983996      9.45351002      6.43860005     -0.68246284     -0.50812075      1.20062486      17      -1      -1      -1      64     -0.65945155     -0.45907965      1.20897998
 Cl              8.24076001     10.79289998      2.78496001     -0.61773699      1.04107435      1.27382783      17      -1      -1       0      64     -0.79473007      1.16160837      1.17701201
 Cl             11.06759995      2.72921002      2.86823001      0.81283674      0.38729876      0.44710100      17      -1       0       0      67      0.58420775      0.41363585      0.30325371
 Cl              1.73576996      2.17882002      9.55811000      1.85222197      2.23615855      2.94412095      17       0       0      -1      65      1.86096009      2.33361128      2.78707797
 Cl              8.92877995      8.20694003     11.34380002      0.07583290     -0.76173663     -1.62458644      17      -1      -1      -1      68      0.08108681     -0.93476022     -1.60628208
 Cl              9.54808001      2.96258997     11.02489998      1.31787006     -0.00981510     -1.03512894      17      -1       0      -1      69      1.21255070     -0.08596414     -0.85389504
 Cl             11.32630003      0.17579201      9.10088000     -1.89083577     -1.62485272     -1.85793263      17      -1       0      -1      63     -2.03944065     -1.84299051     -1.71033986
 Cl              4.75306003      7.33469003      0.95695097     -0.35232782     -0.56691647      0.12393473      17       0      -1       0      60     -0.36412952     -0.64380975      0.03954706
 Cl              1.97759004      2.09331999      5.60966003      0.22210417      0.55733015      0.44494218      17       0       0       0      63      0.33739334      0.63893896      0.49462438
 64
 energy=-224.01682674243969 stress="-0.01069338      -0.00031073       0.00097272      -0.00031073      -0.02028300      -0.00187960       0.00097272      -0.00187960      -0.01979695" free_energy=-224.12764085 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.62933994      1.81094996      8.12967996     -0.21732946      0.21771513      0.92007248       3      -1       0      -1      70     -0.12928888      0.14348692      0.94753473
 Li              0.91998704      9.72784004     10.94320001      0.10415947      0.29648537     -0.26169732       3       0      -1      -1      66      0.06640053      0.17688864     -0.45233598
 Li              0.77104403      0.62100595      2.62307005     -0.17960027      0.29624737     -1.43342529       3       0       0       0      65     -0.30682245      0.22335379     -1.32201310
 Li              4.48348998      1.53536002      7.72926005     -0.17351490      0.17466614      0.70233898       3       0       0      -1      66     -0.20265253      0.10467691      0.51748773
 Li              5.07162004      5.43539002      3.09008997     -0.46149593     -0.57488120     -0.04236266       3       0       0       0      67     -0.27066406     -0.45211814     -0.02427815
 Li              9.13593995     10.29249997      9.77300002     -0.02228497      0.12549543      0.21168610       3      -1      -1      -1      70     -0.10990547      0.19068074      0.16772815
 Li              8.21856997      6.30843003      1.75228002      0.09912044     -0.26765004     -0.43627352       3      -1      -1       0      65     -0.20207592     -0.09667853     -0.45601658
 Li              3.52629000      9.46561000      2.68899997      0.06866586      1.04739398      7.06373469       3       0      -1       0      65      0.23760042      0.85498994      6.24183577
 Li             11.25050004      5.22906004      2.76825999     -0.24156039      0.50196484      0.32192128       3      -1       0       0      67     -0.32010352      0.55528591      0.32584539
 Li              5.10714005     11.35940004      5.17376999      0.61833490      3.78079550      1.36078980       3       0      -1       0      59      0.45911228      3.54315654      1.22084390
 Li              0.84006805      1.11426004      7.06088003     -0.05472619     -3.95341884      0.34117266       3       0       0      -1      66     -0.33627996     -3.85181337      0.21082795
 Li              4.54300003     11.11309996      0.04141987     -0.09696788     -0.31835087     -0.25704449       3       0      -1       0      66     -0.02920112     -0.62333153     -0.21210266
 Li              8.14625994      7.16658000      7.77988998      0.08914806     -0.40279741      0.68111983       3      -1      -1      -1      67     -0.04215424     -0.12647555      0.65816022
 Li             10.55329996      6.41430002     10.49950005     -0.23210907     -0.09770129     -0.32600146       3      -1      -1      -1      65     -0.25947768     -0.03422796     -0.34995213
 Li              6.60074005      1.67886999      2.14493000      0.43971944      0.17203941     -0.17116964       3      -1       0       0      67      0.27432649      0.32557349     -0.23519233
 Li              2.11934999      4.37229002      0.99673501      0.46885182     -0.03686608     -0.88021959       3       0       0       0      68      0.46773743      0.05342776     -0.97392996
 Li              6.88996997      8.70687000      4.40987004      0.24456982     -0.20418940     -0.44076940       3      -1      -1       0      60      0.09816259     -0.11534471     -0.49766033
 Li              2.44565997      3.40357004      5.43434001     -0.25632273      0.69018746     -0.53572614       3       0       0       0      64     -0.16592960      0.72196598     -0.56530083
 Li              2.41060002      5.26891996      9.30220995      0.16858935     -0.30909000     -0.13697053       3       0       0      -1      65      0.00576907     -0.34794236     -0.15612299
 Li             10.41280005      4.67366003      5.90962006      0.53158680      0.14929277      0.01317638       3      -1       0      -1      64      0.52558759      0.15108140      0.21030711
 Li              7.36163006      3.15462996      5.52025997     -0.08676511     -0.04899481      0.86302996       3      -1       0       0      69      0.19865063     -0.18084902      0.79175242
 Li              1.25457996      2.29587995     10.13109999      1.96500787     -1.52328270      0.61891384       3       0       0      -1      62      2.04607911     -1.72988057      0.51628782
 Li              9.82264001      0.72629505      5.06693998     -2.20297771      0.51263769      0.83996388       3      -1       0       0      65     -2.16893469      0.49045402      1.06190084
 Li             10.15589998      3.09960004      0.20821987     -0.58716772     -2.38499909     -0.17330688       3      -1       0       0      63     -0.77899598     -2.30644860     -0.23894413
 Li              9.17239005     10.48259998      2.09876002     -0.57547198      0.07492243      0.01516346       3      -1      -1       0      65     -0.59436614      0.02869772     -0.02549793
 Li             10.03279998      8.31162003      5.43684002      1.02441370      0.02870256      0.83741010       3      -1      -1       0      70      1.18900416      0.06901697      0.82205816
 Li              4.77174004      6.16580006      6.66129002      0.97873655      0.03491939      1.97195105       3       0      -1      -1      66      0.87800916      0.32077981      1.80995355
 Li              6.51147997      8.50727001      0.20758005      0.23982729     -1.14916696      1.59669396       3      -1      -1       0      64      0.12409131     -0.95846401      1.59516002
 Li              5.76324000      4.22617995     10.62670002      0.10165699     -0.13859869     -0.24011069       3      -1       0      -1      69      0.00973593     -0.34819762     -0.24975143
 Li              4.66535003      8.65955004      8.84390002      0.55941712      0.90349815      0.34930274       3       0      -1      -1      61      0.54760740      0.84122223      0.56095316
 Li              0.63000598      7.85678997      7.92716999      1.77000175     -1.35871719     -1.35443982       3       0      -1      -1      70      1.81772964     -1.37528337     -1.40602830
 Li              3.09732003      8.45153997      6.21831999     -0.26898157      0.30781064     -0.08521733       3       0      -1      -1      66     -0.14686402      0.26729944     -0.18782216
 Cl              3.48398005      1.61322999      5.81327000      0.74172732     -1.20992550     -0.45259097      17       0       0      -1      64      0.86976249     -1.05810884     -0.31999210
 Cl              5.78975000      4.47152001      8.29098995     -0.00675866      0.64667212     -0.20234903      17      -1       0      -1      65     -0.15784317      0.54748921     -0.18224996
 Cl              4.86034001      9.64866004      4.50675995     -1.33147222     -2.63274983     -1.18622118      17       0      -1       0      65     -1.05939218     -2.68988708     -0.90845637
 Cl              3.14828001      7.31368999      8.24226997     -0.47597979     -1.23925858     -0.45049489      17       0      -1      -1      67     -0.35390807     -1.25952538     -0.45257438
 Cl              0.85874600      8.83590999      6.00104998      0.36955367      0.27045377     -0.67141037      17       0      -1      -1      66      0.39633438      0.26968224     -0.60375927
 Cl             11.04370002      3.06821004      9.80909003     -2.03597353      1.16345190     -1.11728227      17      -1       0      -1      63     -2.07930862      1.01622662     -1.05091909
 Cl             10.27770004      6.49312004      4.35875001     -0.16286825     -1.58463608     -0.86823312      17      -1      -1       0      67     -0.19048310     -1.72575018     -0.80369340
 Cl              2.19301005      0.83621995      1.15982001      0.94502707     -0.01743930     -1.00319538      17       0       0       0      65      0.91821790     -0.12731401     -0.91519398
 Cl              3.85216996      5.39955004      5.09976004     -0.74738379     -0.55825426     -1.55970779      17       0       0       0      63     -0.66045341     -0.46836535     -1.45162523
 Cl             10.82300002      8.75056003      8.99818000     -1.60621236      1.68029472      3.08235379      17      -1      -1      -1      69     -1.55569207      1.55751330      3.04478798
 Cl              0.78810506      2.91624998      6.80224002      0.65806410      4.43360930     -0.30973305      17       0       0      -1      67      0.72530002      4.38049405     -0.25091313
 Cl              6.07313004      7.16292003      2.34271004      0.84637917      0.38117139      0.11496743      17      -1      -1       0      59      1.05253392      0.12321943      0.04199108
 Cl              3.09004996     10.43529996      8.78939001     -0.05953608      0.67080138      0.12434825      17       0      -1      -1      63      0.03588029      0.73955902      0.22149870
 Cl              5.26481002      3.89091006      1.36561003     -0.74948583      0.06901548      0.55115063      17       0       0       0      70     -0.55133231      0.13872679      0.54995035
 Cl              0.18451805      0.45828804      4.47307996      1.15227761     -0.50953000      1.18884741      17       0       0       0      66      1.16804805     -0.37015076      1.03011388
 Cl              7.99900998      7.02769002     10.50299998      0.48287357     -0.51161248      0.31115185      17      -1      -1      -1      65      0.56871654     -0.42990043      0.42196361
 Cl             10.44930003      6.22372998      7.48805997     -0.61006165     -0.25062016      0.39425109      17      -1      -1      -1      63     -0.55034068     -0.18195163      0.44040506
 Cl              3.17400001      3.19307004     10.10789996      0.55893632      0.30367416     -0.11565933      17       0       0      -1      67      0.37027352      0.39979328     -0.06547459
 Cl              9.40360005      2.85135998      6.51339003     -0.95320441      0.66663993     -1.49595949      17      -1       0      -1      72     -1.06001597      0.50028365     -1.62174561
 Cl              7.09892997     10.41730001      1.32681995     -0.57966615      0.75751004      0.99301237      17      -1      -1       0      60     -0.33480913      0.90793624      0.84729292
 Cl              6.32638000      9.64228005     10.10150002     -0.76004540      1.41912620     -2.72122189      17      -1      -1      -1      67     -0.59390542      1.43571394     -2.82108111
 Cl              7.18083996      1.31084998      4.45871005     -0.22113046     -0.66768390     -1.03837320      17      -1       0       0      69     -0.12609857     -0.67088968     -1.00220317
 Cl              8.13783003      2.87606997      0.88984504     -0.74086318     -0.56861629      0.14638277      17      -1       0       0      65     -0.64834051     -0.52259419      0.29086855
 Cl              9.14366997      9.25092003      3.80010998     -0.81487655      0.46177178      0.34420595      17      -1      -1       0      66     -0.83106386      0.36941731      0.16192062
 Cl             10.09160004      0.31802498      8.33105004      0.56543784     -0.80602116     -0.28386260      17      -1       0      -1      66      0.34164623     -0.99005458     -0.10496465
 Cl              3.51556001      9.23555996      1.02595998     -0.29039425     -1.28661476     -7.48580776      17       0      -1       0      68     -0.40570987     -0.93181140     -6.75075060
 Cl              6.61742001      1.33757000      7.65303004     -0.45029039     -0.64778850      0.05948974      17      -1       0      -1      68     -0.63030359     -0.43267168      0.12392395
 Cl              6.27295003      7.88345004      6.56182994      0.73656966     -0.14104456      0.34384216      17      -1      -1      -1      65      0.54661893     -0.23922292      0.35367052
 Cl             10.21470004      0.01071990      0.64974598      1.23725189     -0.01668643     -0.87453434      17      -1       0       0      68      1.41883893      0.07166869     -0.88879825
 Cl              1.37406000      6.12732994     11.04450000      0.52718876      0.69598084     -0.04373723      17       0      -1      -1      66      0.49905465      0.54799880      0.02618720
 Cl              1.35295002      3.85839002      2.88296000      0.52699830     -0.66626857      1.09260305      17       0       0       0      63      0.41026838     -0.61834969      0.97303983
 Cl             10.41449997      4.88650001      0.83563000     -0.56661368      3.14850771      1.20006095      17      -1       0       0      65     -0.41438117      3.19584238      1.36109275
 64
 energy=-221.69079581656226 stress="-0.01245134      -0.00545324       0.00357785      -0.00545324      -0.01424417       0.01372981       0.00357785       0.01372981      -0.01380016" free_energy=-221.62021499 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              2.87591004      7.37545999      6.08347002     -0.22869656     -0.28504754     -0.48020586       3       0      -1      -1      65     -0.17817673     -0.46088905     -0.40703219
 Li              2.13738995      2.04872005     11.37370001     -1.61478922     -1.65822153      0.70059706       3       0       0      -1      64     -1.50817416     -1.64108838      0.76657513
 Li              0.60746595      3.90852997      5.38154998      0.63025244      0.02628673      0.02514083       3       0       0       0      60      0.79280509      0.15064053      0.22038106
 Li              4.69731004     11.24540004      1.12908003     -0.08277651      0.28756078     -0.34445220       3       0      -1       0      64     -0.08792871      0.22479613     -0.28720599
 Li              6.11309005      7.82397003      3.89532002      0.28808656      0.38729284      0.46855125       3      -1      -1       0      66      0.15736130      0.45436350      0.57330230
 Li              9.20207004     10.49429996      5.75705995      0.03145125     -0.38874745     -0.87155858       3      -1      -1      -1      68      0.21104252     -0.31619681     -0.83237498
 Li              9.84990997      9.50745003      8.93742000      0.80113652      0.21076933     -0.67854386       3      -1      -1      -1      67      0.86590077      0.19715009     -0.71328873
 Li              5.62071997     10.87610004      4.32915005     -0.61516221     -0.98740018      0.87367615       3       0      -1       0      63     -0.62371818     -1.06671519      0.83900104
 Li             10.59039998      1.80491998      8.16466997     -0.52252293     -0.04788460      0.06241218       3      -1       0      -1      62     -0.57261261     -0.31094929      0.21004454
 Li              7.57303000      9.35051997      0.98814998      0.27397850      0.16365723     -0.27791988       3      -1      -1       0      69      0.36669647      0.12229192     -0.24204160
 Li              0.62711102     10.71979994     11.25640002     -0.17037723      0.04625870      0.67811325       3       0      -1      -1      66     -0.36072526      0.01807396      0.59688660
 Li             10.06779997      7.45743005      4.28942998      0.84389063      0.35520025      0.12034121       3      -1      -1       0      58      0.65600258      0.44943921      0.19882540
 Li              3.22311998      8.33945003      2.51168001      0.21101436      0.63678324     -0.10272358       3       0      -1       0      65      0.15256979      0.36555309     -0.09852794
 Li              4.60007999      2.63605002      2.68886000     -0.19010715     -0.20532982     -0.32622854       3       0       0       0      65     -0.25868434     -0.19548797     -0.16061682
 Li              0.08935134     11.16090004      3.06008003     -0.17466931     -0.21451562      0.23578364       3       0      -1       0      73     -0.33713849     -0.32002262      0.27897840
 Li              9.29533001      5.86322996      6.83241000     -3.41531992      1.20774362     -0.74247264       3      -1      -1      -1      66     -3.36968560      1.39056089     -0.85411689
 Li              6.96633996      3.12987996      9.75692996     -0.07142375     -1.67615923      0.56232347       3      -1       0      -1      65     -0.11172992     -1.79490242      0.52912015
 Li              6.61378996      0.11058502      8.76762003     -0.36485668     -0.22793362      0.30350048       3      -1       0      -1      65     -0.26058682     -0.29424459      0.48439815
 Li              2.56014995      1.38096998      8.38477005     -2.35715031     -0.97651289      0.32171676       3       0       0      -1      65     -2.27258585     -0.93238840      0.21133033
 Li              2.15561001     11.18629996      5.89006004     -1.00303114      0.58254490      0.26379042       3       0      -1      -1      63     -1.03294877      0.49765657      0.33994894
 Li             11.40710004      6.85557999      8.62628999      0.41124910     -0.01658395      0.35751543       3      -1      -1      -1      65      0.40058226      0.05289467      0.29604544
 Li              7.99639005      5.52318004      2.69611001      0.08477023     -0.77317674      0.03891419       3      -1       0       0      64      0.04296849     -0.70357455      0.20674592
 Li              4.57748997      3.03274999      5.91509998     -0.31792552      0.07101884      0.03328502       3       0       0      -1      64     -0.19890702      0.28644325      0.10632687
 Li             10.19480000      4.19956998      0.08533150     -0.55244781     -0.26835745      0.69835551       3      -1       0       0      66     -0.37785724     -0.08126836      0.50927965
 Li              7.82102004      2.58193002      4.73011003     -0.47890801      0.62949643     -2.48789056       3      -1       0       0      64     -0.41537180      0.66708357     -2.64527374
 Li              2.59678004      5.80563995      0.59370801     -0.41815849     -0.14370635      0.19340205       3       0      -1       0      66     -0.50049484      0.02372344      0.17792677
 Li              8.03301005      1.36580996      1.12157001      1.48529270     -0.35810311      0.85182156       3      -1       0       0      62      1.43849422     -0.49766391      0.91528025
 Li              3.31939001      4.75334996      9.31147000      0.00067386      1.49086158     -1.31346562       3       0       0      -1      60     -0.06084951      1.54241603     -1.40054148
 Li              3.50304996      8.67709005      9.37442002      0.09695556     -0.47142388      0.17821035       3       0      -1      -1      71      0.31191287     -0.41926454     -0.03111344
 Li             11.43399995      7.79853996      1.09709996     -0.85716666     -0.14376701      0.28682966       3      -1      -1       0      63     -0.87519945     -0.01414944      0.37268263
 Li              6.84725005      6.54976998     10.88549995     -0.50354688     -0.21279609     -0.47990229       3      -1      -1      -1      66     -0.33407276     -0.17582016     -0.39277392
 Li              6.87264996      8.46519003      7.60833001     -0.02649176      0.30000504      0.37280805       3      -1      -1      -1      69     -0.01504063      0.26368119      0.34790071
 Cl              5.47615998      9.41620995      2.30525005     -0.10279930     -1.62924874     -0.51418218      17       0      -1       0      70      0.01137458     -1.67554898     -0.46966657
 Cl              2.02557000      6.52055005      7.87587994      0.02963740     -0.54816504      0.89492846      17       0      -1      -1      65      0.07075857     -0.50898233      0.76832911
 Cl              5.89183001      9.16380996      5.82136998      2.71901238      2.25404814     -3.63897090      17      -1      -1      -1      66      2.67486569      2.01402247     -3.52353318
 Cl              8.31571003     10.69719995      7.63397996     -0.00935829      1.09881071     -2.44837215      17      -1      -1      -1      70     -0.13000294      1.05514329     -2.59845080
 Cl             10.95510005      5.20745996      7.25300004      2.21123284     -3.00256284     -0.33520186      17      -1       0      -1      62      2.37620566     -2.72703537     -0.36563695
 Cl              6.48364000      0.62265406      2.96543999      0.90486419      1.39567481     -0.46811521      17      -1       0       0      67      0.84863279      1.47520431     -0.34847248
 Cl              3.25211005     10.49780001      4.29871995     -0.02370608     -0.71831405     -0.37626694      17       0      -1       0      61     -0.11724956     -0.58942127     -0.48089852
 Cl              7.30731000      4.95781001      9.20578997      0.12374985      2.76543540     -0.75509756      17      -1       0      -1      66      0.17141231      2.82656778     -0.91202195
 Cl             10.29039995     10.50259999      1.07828995     -0.21522167      0.92245050     -0.92689907      17      -1      -1       0      68     -0.00845072      0.88928119     -0.84821663
 Cl              2.81840006      4.95491000      3.81623001      0.01191726     -0.64780801      0.46663379      17       0       0       0      66     -0.11860375     -0.72103220      0.51675558
 Cl              9.99291002      9.48565002      3.67968001     -0.56736898     -0.48584485      0.65171490      17      -1      -1       0      67     -0.45922468     -0.43803471      0.64018843
 Cl              0.08541966      5.47458995     10.71279997      0.89835967      0.96196385      0.12287510      17       0       0      -1      58      0.97183415      0.98635783      0.18026080
 Cl             10.60279997      8.39684996      7.10538998     -0.24837558     -0.32669744      0.21090806      17      -1      -1      -1      65     -0.22165073     -0.43727445      0.30985412
 Cl              9.40134995      2.70116002     10.32520000      0.01019444     -1.10715970     -0.56054889      17      -1       0      -1      65      0.19435040     -1.05848943     -0.41467062
 Cl             11.10590005     11.45439994      5.71152005      1.31182703      1.04566230      0.31987211      17      -1      -1       0      67      1.29580505      1.08410651      0.01616020
 Cl              9.17523996      3.34221998      2.92134000      0.19867800      0.37265333     -0.41286775      17      -1       0       0      64      0.17358757      0.31998624     -0.35451426
 Cl              4.27993997      6.81527995     10.98809998      0.33615275     -0.10418072      0.03387482      17       0      -1      -1      64      0.26046233     -0.16791632      0.01102783
 Cl              0.85322595      0.71782799      9.77054999      0.06173207      0.72510471     -0.99019903      17       0       0      -1      65      0.06534398      0.65177057     -0.94763874
 Cl              8.19820001      7.14271000      1.07624999      0.23504371     -0.35374146      0.22238627      17      -1      -1       0      64      0.14923919     -0.26674775      0.06320209
 Cl              6.43592005      2.17894005      0.27774603     -1.71952149      0.58291346     -0.92063834      17      -1       0       0      63     -1.82191967      0.57851327     -0.93009800
 Cl              4.21508000      2.19737003      8.08131996      4.29984995      1.14332279     -0.19229198      17       0       0      -1      61      3.99702255      1.07427451     -0.22004858
 Cl              1.36579002      7.25503002      2.69800001     -0.65192411      0.18146309      0.11346285      17       0      -1       0      64     -0.70499504      0.40957861     -0.02173146
 Cl              4.67266000     10.46299996     10.26910000      0.03467067      0.39081470     -0.13649596      17       0      -1      -1      61     -0.17266080      0.33387666     -0.24118451
 Cl              8.13318998      2.07159002      6.53617999      0.44781590      0.02156001      2.36170031      17      -1       0      -1      65      0.46260185     -0.01818188      2.30735294
 Cl              4.48248995      7.93875005      7.34156000     -0.97440129     -1.41067458      3.30775238      17       0      -1      -1      69     -1.12729028     -1.49979533      3.06243210
 Cl              2.60915000      0.86139803      1.70433995      0.01367375      0.02193857      0.05047821      17       0       0       0      59      0.03549951      0.17402994      0.04676162
 Cl              3.35761995      3.34424996     10.71709999      1.08995866      1.26297457      0.96637795      17       0       0      -1      66      0.89345626      1.35315570      0.92747414
 Cl              8.06301998      9.67445994      9.87289001     -1.84523450     -1.89323651      4.47344915      17      -1      -1      -1      71     -1.62761268     -1.98439130      4.37703254
 Cl              2.23045995      2.09669003      6.02249002     -0.91054656      0.15252682     -0.55011393      17       0       0      -1      65     -1.07167389      0.02184062     -0.28252929
 Cl              8.10988997      6.71352002      4.59387002     -0.48796468     -0.58184784      0.58884054      17      -1      -1       0      67     -0.39647275     -0.58899042      0.66352112
 Cl              1.27571998      8.72554004     11.27409995      1.19810497     -0.06261174     -1.45565023      17       0      -1      -1      67      1.14304354     -0.20080569     -1.33616549
 Cl              5.82367005      3.76286998      4.11582994      0.42672339      0.23296331      0.37493219      17      -1       0       0      63      0.53846387      0.15279555      0.28905289
 64
 energy=-223.70799874375822 stress="-0.01364891       0.00217621       0.00298898       0.00217621      -0.01475495      -0.00089644       0.00298898      -0.00089644      -0.01797080" free_energy=-223.93496748 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.81237998     11.13480000      7.56869995     -0.06341839      0.16484214     -0.02041595       3      -1      -1      -1      65      0.02999061      0.06169174     -0.11729019
 Li              0.48717401      8.11666995      0.34003605     -0.13374699     -0.18412167     -0.38060492       3       0      -1       0      62     -0.20232935     -0.17417138     -0.32140353
 Li              9.97386005      8.15453005      8.42825005      0.44214763     -0.17486860     -0.19948275       3      -1      -1      -1      68      0.50783007     -0.10539212     -0.17255338
 Li              4.61581999      7.88284002      0.89540900      0.09602087      0.05064250      0.41286677       3       0      -1       0      65      0.19126145      0.16572792      0.60521490
 Li              4.57453001      2.75886995      2.17543003      0.10923781      0.26756132      0.01221927       3       0       0       0      65      0.21935010      0.30432211     -0.05683824
 Li              6.49194002      4.38191004     10.90270004      0.24028206      0.15234563     -0.80890140       3      -1       0      -1      66     -0.05359453      0.05378683     -0.78923655
 Li              1.83326002      4.94373004      2.63720000     -0.09588990      0.49153130     -0.07545380       3       0       0       0      64     -0.29198612      0.64036024     -0.22874425
 Li              5.36471996      7.68870998      8.82957999     -0.04913292     -0.50971064     -0.08887094       3       0      -1      -1      69     -0.15980119     -0.61155567     -0.11624264
 Li              2.41732004      1.88835999     10.06189999     -2.17758022     -0.35797588     -0.99812098       3       0       0      -1      69     -2.31531393     -0.24004674     -0.80049458
 Li              3.70262003      4.78306996     10.49710000      0.19870538      0.22645768     -1.29540229       3       0       0      -1      67      0.23919034     -0.03890342     -1.27655257
 Li              3.03472002      3.79623001      6.54294999     -0.05995442      0.44217697     -1.44433957       3       0       0      -1      62     -0.05804532      0.50338412     -1.50715603
 Li              1.74478994      7.69242005      7.80697996     -0.12960789     -0.26031995     -0.88646008       3       0      -1      -1      68     -0.24748122     -0.49427021     -0.93949255
 Li             10.18450003      6.64721005      2.98110995     -1.07262378     -0.21527762      1.05080792       3      -1      -1       0      63     -0.97748632     -0.16127897      1.20056021
 Li             11.11229998      0.21852603      0.81721802     -0.33975993      0.38411673     -0.73734366       3      -1       0       0      64     -0.32449286      0.43092942     -0.82558708
 Li              9.32326995      3.20341002      2.30629995     -0.49335142     -0.16495543      0.01589307       3      -1       0       0      67     -0.32681089     -0.08699299     -0.01123667
 Li              7.13862997      0.72348595      3.82234002     -0.97672664      0.24783130      1.54768337       3      -1       0       0      70     -1.24482677      0.06555803      1.42444475
 Li              5.56316000      2.64217000      8.91732002     -0.47289394     -0.14893677     -0.39801384       3       0       0      -1      64     -0.45223537      0.18312997     -0.38189282
 Li              6.85015005      5.27344996      3.41149003     -1.64572992     -1.77621527      0.51327476       3      -1       0       0      69     -1.77765409     -1.75678117      0.40874633
 Li              3.85768004      0.73921804      5.99097001      1.90484951     -0.00971409     -0.67147438       3       0       0      -1      62      2.00599657      0.26657961     -0.75343086
 Li              9.62373005     10.50699998      3.32413003     -0.71360765      1.66039994      0.27696610       3      -1      -1       0      63     -0.73734179      1.60779051      0.13501393
 Li              9.00594005      1.65594005     10.24350003      0.58675391     -0.97588144      0.10000160       3      -1       0      -1      67      0.66038654     -0.89738927      0.01754065
 Li              8.07278996      8.93509000      0.32358297     -2.55298511      0.60581515      2.30538786       3      -1      -1       0      59     -2.55530370      0.71037039      2.43505758
 Li              1.69340005      8.84364999      4.68034004     -0.75196957      0.84060620     -0.65981571       3       0      -1       0      66     -0.88934650      0.81206661     -0.84312598
 Li              0.42946500     11.03109997      7.44808999     -1.18892804     -0.46404088      0.67741908       3       0      -1      -1      63     -1.15553422     -0.28728116      0.63900465
 Li              6.75677005      3.82560000      6.62381994     -0.11323194      0.17919949     -0.22256499       3      -1       0      -1      60     -0.20491756      0.29793466     -0.18771158
 Li              7.18818994      8.84294000      5.21522001      0.15613673      0.08123232     -0.23991198       3      -1      -1       0      64      0.11122106      0.12979600     -0.17215087
 Li              9.58202999      2.62431002      6.98574004     -0.20387147      1.71656546     -0.44774030       3      -1       0      -1      73     -0.00402006      1.63801157     -0.45249945
 Li              3.69257996     10.38389998      2.65478999      0.74789947     -0.31542701      0.34682909       3       0      -1       0      68      0.79187700     -0.30158519      0.32318464
 Li             10.89169995      4.94146997     10.33329997      0.55816111     -0.15413009     -0.37777052       3      -1       0      -1      62      0.75301744     -0.23426834     -0.41738719
 Li              1.41032003      1.82258999      3.72091003      1.30732362      1.47857507      1.60672597       3       0       0       0      65      1.04903224      1.42035634      1.67404192
 Li              4.83207999     11.00800002     10.35509999      0.96339131      0.31095957      0.39554045       3       0      -1      -1      66      0.89626329      0.22873255      0.52675886
 Li              4.34370005      7.04059995      5.21320001      1.17014738      0.12400052     -0.59862985       3       0      -1       0      66      0.92333239      0.08208449     -0.63554603
 Cl              6.59351996      8.30419003      7.32838995      0.94866886      0.12856713     -0.11494389      17      -1      -1      -1      68      1.00573731      0.09512859     -0.18745561
 Cl              5.67521004      1.84650000      6.57156002      0.22725913     -0.46449345      0.82707942      17       0       0      -1      64      0.06367122     -0.25319508      1.05888068
 Cl              0.92918896      0.24931989     10.51839994      0.35739591     -0.52059173     -0.08454632      17       0       0      -1      62      0.42269380     -0.71308640      0.01360189
 Cl              7.73411002      2.98949996      9.41140000     -0.04981254      0.59518485     -0.15243892      17      -1       0      -1      65     -0.16266835      0.61047007     -0.16608510
 Cl             10.28259999      8.64849997      3.46333998      1.54479523      0.41839163      0.04228184      17      -1      -1       0      65      1.48126953      0.43218471      0.01683920
 Cl              8.71118997      3.34215005      5.28916003     -0.53715193      0.51512368     -1.38019315      17      -1       0       0      66     -0.45881234      0.51252337     -1.25315808
 Cl             11.42479998      8.77972000      6.75837001     -0.79088588      0.95916597     -0.07181320      17      -1      -1      -1      62     -0.83812349      1.22729698      0.36986963
 Cl              5.17173004      6.71609995     10.68380004     -0.38760073     -0.17583427      0.97485588      17       0      -1      -1      63     -0.35406654     -0.21621969      0.92477856
 Cl              2.92064000      3.33973005      8.48985004      0.42159300     -0.49239349      0.50230855      17       0       0      -1      61      0.80373852     -0.62550229      0.38173197
 Cl              3.36278002      8.04204998      2.66024997     -1.12890979      0.00518025     -0.17589992      17       0      -1       0      63     -0.96713259      0.11276636     -0.24066675
 Cl              0.02440000      6.23437995      1.54851998      0.89847017     -0.65973142     -1.24086724      17       0      -1       0      63      0.87246149     -0.59439231     -1.30555861
 Cl              4.04907998      2.40132003     10.95510005      4.01175397     -1.80907690      1.32592021      17       0       0      -1      64      4.12582077     -1.92099250      1.13817083
 Cl              5.07647998      9.48702997      4.86764001     -0.30491783     -0.16893770     -0.09997700      17       0      -1       0      67     -0.53534365     -0.31205088      0.07020624
 Cl              4.42087002      0.82301104      3.69480002     -0.36741045      0.75225558     -1.03683474      17       0       0       0      68     -0.36341616      0.72577293     -1.07240255
 Cl              2.01207998      0.40283302      6.50562998     -0.76118019      0.05904671     -0.32796251      17       0       0      -1      65     -0.66499954     -0.12265834     -0.36088413
 Cl              1.61353001      3.84658995      4.53544002     -0.22267372     -0.05900103      0.10279225      17       0       0       0      68     -0.02098459     -0.26037132     -0.13251044
 Cl              2.42357999      7.38776002      5.85358999      0.64373706     -1.61648863      0.35752756      17       0      -1      -1      67      0.98887922     -1.45655167      0.49076200
 Cl              5.01905002      4.27729997      4.55298003      0.00877813      0.89624228      0.05286503      17       0       0       0      62      0.15778591      0.81400608      0.16343076
 Cl              7.21239998     11.17220004      9.68746995     -0.68870301      0.10186707      0.15820368      17      -1      -1      -1      64     -0.64870322      0.28462151     -0.13285755
 Cl              5.97880997      9.61231999      0.97004502     -0.79930444      0.26695171     -0.28017686      17      -1      -1       0      67     -0.67163187      0.03773116     -0.34289620
 Cl              0.89205100      7.63686002      9.57043995     -0.18940725      0.62739733      2.88790804      17       0      -1      -1      64     -0.20704942      0.68303387      2.92782385
 Cl              9.34682996      8.70536004     10.47649995      2.38544086     -0.53492588     -1.72425054      17      -1      -1      -1      65      2.47888696     -0.70284050     -1.83073291
 Cl              5.83631000      4.93823005      8.52081999     -0.48545403      0.42820750     -1.04843856      17      -1       0      -1      66     -0.36664316      0.15921144     -1.11264361
 Cl             10.26240005      1.20740995      8.03958000      0.74707226     -2.33005191      1.48803111      17      -1       0      -1      66      0.53859689     -2.36241518      1.26904011
 Cl              2.61782995      4.32692001      0.71062601     -1.05648078      0.76014234      1.74617827      17       0       0       0      67     -0.99760213      0.86664103      1.92264924
 Cl              0.55245403      4.99470997      8.17599003     -1.46004503     -0.02435955      0.06150912      17       0       0      -1      66     -1.66946673      0.11586442      0.11975412
 Cl              8.02002997      6.77588995      3.49401003      0.51400699      1.59499762      0.35541769      17      -1      -1       0      69      0.46795366      1.51195738      0.30634653
 Cl              7.95086998      0.36504297      2.03582995      1.56132008      0.10873800     -1.27577069      17      -1       0       0      66      1.66028604      0.26142867     -1.08332493
 Cl              0.52316199      0.49492203      2.68688997     -0.98780418     -1.90050112     -0.50633068      17       0       0       0      65     -1.15101907     -1.94144342     -0.37548635
 Cl              8.32208004     11.03839997      5.40159000      0.27819725     -0.33671891     -0.28547911      17      -1      -1       0      62      0.36759249     -0.33180374     -0.15624291
 Cl              6.76818997      4.23226003      1.55312002      0.09630166     -0.80035311     -0.05622397      17      -1       0       0      69      0.13399404     -0.83040854     -0.08906969
 Cl             10.18340004      3.01594003      0.23465203      0.32690456     -0.03728454      0.26897123      17      -1       0       0      64      0.10806768     -0.01940316      0.28509445
 64
 energy=-226.04848165277616 stress="-0.01971436      -0.00117848       0.00144109      -0.00117848      -0.00562605       0.00330953       0.00144109       0.00330953      -0.01852833" free_energy=-226.14522177 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              3.04848002      7.05621005      5.88500006     -0.28351371     -1.50136308      1.10887426       3       0      -1      -1      65     -0.26306911     -1.56374211      1.29998055
 Li              1.27187005      0.70931702      0.34799295      0.11232126     -0.21276554     -0.12171485       3       0       0       0      64      0.11062586      0.02959706     -0.36214382
 Li              9.81548996      2.01726000      3.14859998      0.03099928     -0.10585155      0.32554302       3      -1       0       0      59      0.04671491      0.04760370      0.58723477
 Li              0.23830799      9.96435995      2.14100005     -0.82795216     -0.32717249      2.24192320       3       0      -1       0      62     -0.67619693     -0.11202905      2.10389485
 Li             11.43939997      5.61467004      4.70062998     -0.09309010      0.55570801      0.29393704       3      -1       0       0      68      0.21874904      0.46868282      0.28459235
 Li             10.67730002      6.82749996      9.06751998     -0.75354410     -0.24301278     -0.72615482       3      -1      -1      -1      67     -0.57937914     -0.27943336     -0.86223896
 Li              4.14821997     10.42219996      1.24353000     -0.28577664      0.12174875      0.16937350       3       0      -1       0      61     -0.42084551      0.02711093      0.16830006
 Li              9.53832001      8.89632996      5.81990003     -0.44489704     -0.06436374      0.96913364       3      -1      -1      -1      64     -0.39940244     -0.04022927      1.00008561
 Li              7.93129999      9.57977004      2.03083004     -0.53632435     -2.01702437      2.97383327       3      -1      -1       0      69     -0.61487096     -2.15857968      3.02874667
 Li              4.28022004      7.71372997      2.98650997      0.58340712     -0.53971291     -1.38323918       3       0      -1       0      62      0.49633391     -0.54431352     -1.37585971
 Li              1.38137995      4.45912999      7.87326001     -0.95986386      1.26646314      0.11682989       3       0       0      -1      60     -0.95583509      1.17329081      0.09882145
 Li              6.41281998     10.11119995      4.79008003      0.54095274     -0.67055920     -0.80689370       3      -1      -1       0      63      0.48227202     -0.74577659     -0.90901126
 Li              1.53739000      8.77422999      8.74577003      0.22803357      0.33212808      0.11049281       3       0      -1      -1      63      0.07895217      0.17256728      0.03506988
 Li              3.64502005      5.37556001     10.12459997     -0.37487178      0.19078907     -0.05225594       3       0       0      -1      63     -0.49734101     -0.01386414     -0.24839479
 Li              8.58614001      5.08294996      0.86118296     -0.49013360      0.13843503     -1.10828479       3      -1       0       0      65     -0.38765296      0.21202231     -1.15301538
 Li              3.39677001      1.28190003      9.16626996     -0.40518237      0.15731988     -0.47261919       3       0       0      -1      67     -0.72067980      0.20693486     -0.31539633
 Li             11.26760005      0.89710995      6.27323996     -0.18132742      0.00717084      0.25100044       3      -1       0      -1      70     -0.32027560      0.13362130      0.29917358
 Li              1.01073003      7.36735004      0.25238005      0.10327934      0.61702806      1.14280784       3       0      -1       0      63      0.16305552      0.28818971      0.96598159
 Li              5.22093003      9.05282002      7.68369000      0.05917281      0.75582307      0.21657900       3       0      -1      -1      66     -0.02924185      0.79377057      0.34729757
 Li              1.72156996      2.96130999      4.00291000      0.08147376      0.01314427      0.08832739       3       0       0       0      72      0.00392490      0.07155891     -0.00744920
 Li              9.69577995     11.29430001     10.11210001      0.31777721     -0.01091255      0.41260688       3      -1      -1      -1      64      0.58786457      0.06506505      0.27726752
 Li              6.12949004      2.85504001     10.39159996     -0.02249209     -0.11622123      0.23706716       3      -1       0      -1      61     -0.15379385     -0.02555693      0.18417989
 Li              3.32546998      4.44945998      1.99637002     -0.08478567      0.03984607     -0.12796634       3       0       0       0      68     -0.06350156      0.03595959     -0.26746046
 Li              8.23249999      0.04917351      7.37704997     -2.21192133      1.43421375     -0.24502602       3      -1       0      -1      70     -2.32747095      1.56067618     -0.24414514
 Li              6.77011998      1.13728995      2.57503999     -0.34668817     -0.59416143      0.17341484       3      -1       0       0      62     -0.22287734     -0.44843615      0.10104423
 Li              4.49108002      4.32719997      6.47888003      0.52220428      0.10795399     -0.03489308       3       0       0      -1      65      0.51262828      0.17389303      0.03593400
 Li              0.29681594      3.73195002      0.37915596     -1.91290992     -0.10506568      0.96685950       3       0       0       0      68     -1.67602743     -0.17639271      0.93014086
 Li              6.62539995      5.38070002      3.93070005     -0.79655738      0.51780974      0.56545861       3      -1       0       0      68     -0.83540628      0.48465503      0.53283013
 Li              9.82752998      3.78445000      9.49186996     -0.71117590     -0.97953976      1.29362464       3      -1       0      -1      64     -0.45659781     -0.82417647      1.02165195
 Li              6.94676000      6.49738005      8.44335000      0.95960382      0.98984896     -1.70570301       3      -1      -1      -1      64      1.04587298      0.81485371     -1.84725640
 Li              2.37850004     10.66979998      4.55813998      0.56124370     -0.46298642     -0.09431193       3       0      -1       0      67      0.59790435     -0.43434561      0.05463027
 Li              8.53395003      3.52246999      6.73340000     -0.73308469      1.07960245      0.40061999       3      -1       0      -1      66     -0.67367570      0.99792040      0.44386503
 Cl              6.39165004     10.58480002      6.83178003     -0.24617449      0.30851015      0.65915259      17      -1      -1      -1      60     -0.25784212      0.11678419      0.54187129
 Cl             10.00710004      5.85468999     11.02379998      0.07718316     -0.36502373      0.03544435      17      -1      -1      -1      64      0.16126533     -0.33264962      0.22747161
 Cl              8.26085998     10.58470005      0.52881996      0.54550523      2.10290482     -3.68542477      17      -1      -1       0      63      0.43587713      2.02116707     -3.57906405
 Cl              2.07264004      3.84709002     11.12649998      3.40542884      0.88262322     -0.29291324      17       0       0      -1      69      3.41596963      0.92863299      0.00352942
 Cl              3.25236995      8.41719998      4.52920999     -0.95781396      2.34381448      0.04423058      17       0      -1       0      61     -0.93381460      2.29976258      0.17721043
 Cl              3.31820999      7.88789004      0.73800397      0.39580037     -0.10955286      0.30916917      17       0      -1       0      65      0.53039221      0.10782539      0.47885996
 Cl              7.51570001      2.48943999      8.35722998      0.11576944     -0.67765008      1.04779751      17      -1       0      -1      65      0.29611979     -0.76353072      1.04381947
 Cl             10.48739996      8.97536998      4.01482998      0.98600315     -0.44959630     -0.83584849      17      -1      -1       0      65      0.84552275     -0.43835152     -0.81677199
 Cl              6.49454001      7.97965999      3.18824002      0.34043913     -0.11387482      0.05771572      17      -1      -1       0      63      0.37706448      0.15198053      0.18850972
 Cl             11.26370001      2.02291005     10.38740002     -1.25583361     -0.54447642     -0.28049530      17      -1       0      -1      67     -1.40647050     -0.66242475      0.06871101
 Cl              4.00711005      4.99418995      4.29166002      1.20072251     -0.37882716      0.24915853      17       0       0       0      68      1.14775481     -0.32794864      0.23391125
 Cl              6.53416996      3.08483004      1.61001002     -1.64735907     -1.33835988     -1.77834519      17      -1       0       0      65     -1.68520194     -1.41707966     -1.88576605
 Cl              0.98594804      6.63782998      6.80575004      0.37055386      0.52226805     -1.35811143      17       0      -1      -1      65      0.34117636      0.64139962     -1.41103993
 Cl              5.03682997     11.14100000      3.63276003     -0.79557062      0.88128642     -1.03489166      17       0      -1       0      65     -0.76072501      0.88367098     -1.04716866
 Cl              5.81973001      5.37814004      9.49867000     -1.04917200     -2.44233702      2.69578394      17      -1       0      -1      64     -1.12483384     -2.38585093      2.63974745
 Cl              0.64228595      2.21820005      2.17648005     -1.13465093      0.38878407      0.10862822      17       0       0       0      68     -1.28082985      0.55086785      0.15263752
 Cl             10.74669996      4.59907996      7.95610996     -0.81822334      0.03819839     -1.15268007      17      -1       0      -1      62     -0.89574504     -0.14601555     -1.27999079
 Cl              1.98020997     11.01410005      2.44811997      1.13835851      0.09579898     -0.60147788      17       0      -1       0      66      1.07934103     -0.05608034     -0.67809599
 Cl              8.30033001     11.15520000      3.67265997      0.18370967      1.03265900      0.38093878      17      -1      -1       0      62      0.21007539      1.03357821      0.46561156
 Cl              8.60474998      7.56680994      7.57377002      0.78869348      0.46809591      0.09994328      17      -1      -1      -1      62      0.67170347      0.71182324      0.04226512
 Cl              8.18914002      4.77899005      2.72605998      2.55237091      0.84311270      2.54546691      17      -1       0       0      70      2.43463624      0.84173932      2.59555800
 Cl              4.39779002      0.83969604     10.98320003      0.69049627      0.10421824      0.65531872      17       0       0      -1      67      0.96307036      0.04128992      0.63654148
 Cl              9.80369001      2.43276002      5.60189998      0.81772559     -0.54252652     -1.57658105      17      -1       0       0      66      0.68496112     -0.47861842     -1.67225851
 Cl             10.04879999     10.98929995      7.56872001      2.29596108     -1.18013245      0.68979557      17      -1      -1      -1      62      2.26612561     -1.21024659      0.85309866
 Cl              0.14801991      9.61811003      0.24896897     -0.53409547     -0.57187150     -2.58747441      17       0      -1       0      62     -0.64175575     -0.73249442     -2.57633975
 Cl              1.48591996      5.32226005      3.12347005     -1.50709086     -0.00377630     -0.60068330      17       0       0       0      70     -1.57939657     -0.03297543     -0.46747975
 Cl              6.78972000      4.94047006      6.15455004      0.14348177     -0.14337468      0.09053068      17      -1       0      -1      67      0.21691689     -0.26530277     -0.03853867
 Cl              2.96825000      3.31035994      7.89832001      1.81092019     -0.92901586     -0.09339936      17       0       0      -1      64      1.96380174     -0.92044336     -0.11233481
 Cl              1.25457996      6.74016003      9.76732004      1.14176684      0.09998531     -0.53273080      17       0      -1      -1      69      1.18838349      0.18394075     -0.38218512
 Cl              1.96868997     11.05970003      9.17516005     -0.23085525     -0.74330710     -0.50753262      17       0      -1      -1      65     -0.09706652     -0.74874392     -0.52715145
 Cl              4.57110998      7.15998002      7.55387996     -0.79765588     -0.47533129     -0.21350994      17       0      -1      -1      69     -0.77213564     -0.46227590     -0.32222987
 Cl              1.74012994      1.10636998      5.40018998      0.32922893      0.52245380      0.28378086      17       0       0       0      70      0.13490235      0.47547222      0.23871005
 64
 energy=-223.73375644237501 stress="-0.00902019       0.00211219      -0.00381669       0.00211219      -0.00702781      -0.00354953      -0.00381669      -0.00354953      -0.02357110" free_energy=-223.41368218 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.07643201      9.04592999     10.68420003      1.08065914      1.12759833      2.90512428       3       0      -1      -1      65      1.06613393      1.05256485      2.88659929
 Li              9.64212999      0.15902000      9.05221998      0.73788438      0.85519290     -1.74645388       3      -1       0      -1      66      0.64654610      0.98337897     -1.94539093
 Li              5.10413997      6.05682004      6.46744005     -0.01982576      0.26883629     -0.48778642       3       0      -1      -1      61      0.02781444      0.16392971     -0.40963999
 Li              2.44117996      7.77213004      8.06997995      0.15870267     -0.10340510      0.23454669       3       0      -1      -1      66      0.08963719     -0.14265987      0.15513609
 Li              6.03413005      5.91399998      2.70124004     -0.23552065      1.07225723      0.33619513       3      -1      -1       0      62     -0.11709428      0.85787492      0.35584784
 Li              4.44154000     10.18480005      1.82589995      0.23304478      0.13488822      0.08718558       3       0      -1       0      64     -0.00099285      0.10611865     -0.02163573
 Li              0.00862733      3.25520999      2.67396996     -0.13471982      0.25605644     -0.02625714       3       0       0       0      64     -0.06773032      0.18185587      0.07242428
 Li             10.74189998      2.90165996     10.73710000     -1.26723387      1.48373475     -1.28238242       3      -1       0      -1      70     -1.19065109      1.51173132     -1.23063427
 Li             11.25509997      6.30048998      8.60741004      0.52234332     -0.29546221      0.73934317       3      -1      -1      -1      63      0.34469817     -0.33163655      0.54372723
 Li              6.78637999      3.39649005      4.92616997     -0.30939454     -0.43838430     -0.25352629       3      -1       0       0      66     -0.29055741     -0.33163996     -0.31505815
 Li              2.27414998      3.92127996      5.81530996     -0.60114641      0.06242696     -0.01660215       3       0       0      -1      63     -0.62895979      0.05146570      0.07476958
 Li              7.89687001      2.45673997      1.96018004     -0.13758131      0.00247649     -0.60012099       3      -1       0       0      66     -0.30932130      0.06712089     -0.56103579
 Li              6.56163001      0.36256004     10.11210001      2.18426401      0.19267705     -0.55164327       3      -1       0      -1      67      2.35625115      0.20206516     -0.68486110
 Li              0.74194895      6.59645998      1.04616004      0.25919236      0.66217341      0.35893035       3       0      -1       0      67      0.27719950      0.48017248      0.32639000
 Li              2.49861004     11.42375478      7.82816997     -0.17811100     -0.04328005      0.42501767       3       0      -1      -1      64     -0.11186172     -0.03867948      0.24130231
 Li              8.50749001      7.37777004      8.69214001     -0.54452758      1.48939645     -0.13903770       3      -1      -1      -1      65     -0.38809498      1.43651167     -0.15265954
 Li              8.47984000      7.64916005      4.46000999     -0.51853267     -0.54072394     -3.06281420       3      -1      -1       0      62     -0.59826270     -0.65593835     -2.91544358
 Li              9.03947995      5.70429996      1.09944005      5.38933120     -3.33928308     -1.09215814       3      -1       0       0      65      4.94937229     -3.09404475     -1.12146225
 Li              5.27919001      2.56968995      7.57135003     -0.02766056      0.31518531     -0.65241245       3       0       0      -1      68     -0.10791394      0.22810848     -0.87571463
 Li              1.96308004      0.06563209      4.13897999     -0.15066027      0.13038753     -0.50422000       3       0       0       0      61     -0.11200318      0.07903196     -0.49338842
 Li             10.51020000      0.80827600      5.75488002     -1.21245374     -1.14475100     -0.01247369       3      -1       0      -1      71     -1.12409205     -1.29942257      0.14336676
 Li              4.80016997      8.96103997     10.63589999      0.17354572      0.03268126      0.28997661       3       0      -1      -1      59      0.13294143      0.26693766      0.05153168
 Li              4.24676005      2.82497001      1.67920005      0.06161316     -0.55056089      0.24556899       3       0       0       0      60      0.02846294     -0.28525932      0.15548934
 Li              7.86720997      8.94033995      0.45610398      0.07711568     -0.35068165     -0.54084432       3      -1      -1       0      68      0.03857039     -0.24202547     -0.61662976
 Li              7.85164996      3.91050996      9.32791000     -0.24777061      0.24531601     -0.27011250       3      -1       0      -1      67      0.06187533      0.19509399     -0.56734732
 Li              9.81118994      0.08150943      1.37393000      0.22929545     -0.42489572     -0.01942095       3      -1       0       0      68      0.25496979     -0.45156551     -0.23239156
 Li             11.25329996      9.21571001      7.02545002     -0.54146754     -1.41879886     -1.50345026       3      -1      -1      -1      62     -0.52542684     -1.43323805     -1.44913654
 Li              3.13317995      4.14372002      9.32426998      0.20503275      0.00679122     -0.23415345       3       0       0      -1      64      0.15581837      0.02368668     -0.15747761
 Li              9.96435995      5.04490999      6.06000000     -0.00002706      0.13021526      0.19898598       3      -1       0      -1      64      0.10300236      0.03325536      0.55654894
 Li              0.85982296      7.72129995      3.74146995     -0.36751145      0.10186012     -0.39976738       3       0      -1       0      66     -0.32549381      0.22492523     -0.31022319
 Li              5.26415999     10.55100000      6.57856997      0.59139164      0.54534333      0.05622931       3       0      -1      -1      66      0.61476890      0.54674112      0.21024931
 Li              2.10232003      0.50658304     10.82129998      0.34228008     -0.25173437      0.26900922       3       0       0      -1      70      0.27366767     -0.04625763      0.31831508
 Cl              1.01245001      6.19862000      6.79846002     -0.09105708     -0.04756052     -1.42960602      17       0      -1      -1      65     -0.23283720     -0.07037489     -1.28147462
 Cl              8.98560999     10.97219994     10.77530001     -0.32661806     -0.90581757      1.66787002      17      -1      -1      -1      67     -0.39710468     -0.90677333      1.72530734
 Cl              6.93659004      8.68537998      9.78175001     -0.21928596     -0.42641856     -0.27847281      17      -1      -1      -1      67     -0.24895772     -0.66298960     -0.13426680
 Cl              0.13821795     10.41980003      4.81317998      0.40751909     -0.91359718     -1.47276980      17       0      -1       0      64      0.35511690     -0.72970065     -1.42095760
 Cl              5.51532001      0.65577597      8.42769002     -0.73287515     -0.72862322     -0.63791059      17       0       0      -1      67     -0.77565337     -0.53286819     -0.63175350
 Cl              2.38870004      1.96739004      9.06457996      0.18907002      0.25511131     -0.25335771      17       0       0      -1      62      0.35257623      0.19963795     -0.26723914
 Cl              2.97971004      0.74732604      1.85076002     -0.02986703      0.30852339      0.93235734      17       0       0       0      64     -0.03576720      0.34574748      1.08095810
 Cl              7.56683998      6.55851000      1.31405997     -7.04505430      2.89541597     -0.92012683      17      -1      -1       0      59     -6.50563878      2.63333770     -1.12171022
 Cl              9.03652996      2.29397000      8.38478002      0.54457847     -0.79148718     -2.07003296      17      -1       0      -1      66      0.48613169     -0.73754108     -2.03663092
 Cl              5.53158003     11.38210000      0.19272704     -1.36879709     -0.53824629      1.75867510      17       0      -1       0      63     -1.35988234     -0.61419940      1.86528225
 Cl              0.34294695      2.28249999      5.73941998      2.13582503      2.28855810     -0.43439071      17       0       0      -1      72      2.27088379      2.30443795     -0.53110928
 Cl              7.02651998      5.58655997      5.27549003      0.66485751      0.54179293     -0.56401627      17      -1       0       0      59      0.77590833      0.66517460     -0.50495564
 Cl              9.32550996      2.35274003      3.63093996      0.20642007      0.00593635     -0.30742816      17      -1       0       0      64      0.22098580      0.05708207     -0.44409700
 Cl              6.20112001      3.88230004      2.31897004     -0.72287491     -1.46711089     -0.06531914      17      -1       0       0      66     -0.54835777     -1.68781556     -0.08234989
 Cl             11.24690003      5.02799995     11.46220173     -1.16376078     -0.57598939     -0.31399617      17      -1       0      -1      65     -1.32659605     -0.62794591     -0.20232565
 Cl              3.85149001      8.84325000      6.39883998     -0.13453816     -0.25126261     -0.31377582      17       0      -1      -1      62      0.08129753     -0.30500196     -0.31680328
 Cl              4.46668999      3.86882997      5.79836002     -1.90185450      0.19861664     -1.93506901      17       0       0      -1      59     -2.00693351      0.06036001     -1.85518882
 Cl              3.03381995      9.69746004      9.46071005     -0.75465946      0.33572636      0.14469843      17       0      -1      -1      65     -0.67499739      0.26565648      0.19656085
 Cl              3.66354999      8.08735005      1.80872004      0.37288676     -0.13438625     -0.08356343      17       0      -1       0      60      0.26361633      0.00960350     -0.09799989
 Cl              5.84580001      1.34570998      5.47378997      0.45076866     -1.08088408     -0.64039140      17      -1       0       0      63      0.56260840     -0.77710914     -0.63235251
 Cl             10.95110005      8.51790003      9.00197995     -1.29766889     -1.71301329     -1.73094428      17      -1      -1      -1      67     -1.37099579     -1.76436379     -1.53471407
 Cl             11.43569998     11.10310001      7.53661005      0.32714171      2.32277602      2.05135653      17      -1      -1      -1      65      0.12466252      2.14736220      1.99395450
 Cl              5.27233001      4.81290002      8.18321998      0.80828046      0.09150276      3.13160638      17       0       0      -1      67      0.60272583      0.07870357      3.16248814
 Cl              9.22137004      5.50524005      8.32999005      0.14897379     -1.18216910     -0.22004229      17      -1       0      -1      68      0.45243811     -1.12203025     -0.25644726
 Cl              9.88485001      6.99622997      2.52609003      1.85527240      0.97240059      2.00666490      17      -1      -1       0      66      2.05229499      1.02190959      1.95429786
 Cl              8.86101998      8.10390000      6.25014999      0.97788445      1.06320015      2.72645265      17      -1      -1      -1      67      0.92185319      0.92326187      2.64237044
 Cl              0.34039901      1.59616002      0.23074604      0.41855720     -1.41991618      1.61106793      17       0       0       0      64      0.24389234     -1.42095238      1.65559587
 Cl              1.05475000      5.47778000      3.00103005      0.88536679     -0.85475123      0.74389997      17       0       0       0      69      0.67240352     -0.59298817      0.75933216
 Cl              2.07951998      6.01301995      9.68368995      0.44459878      0.57244951      0.27092925      17       0      -1      -1      67      0.55477645      0.53208599      0.21377169
 Cl              0.52304299      9.38685005      1.33300997     -0.13089991     -0.07635077     -0.15678691      17       0      -1       0      65     -0.36569729     -0.21258322     -0.26735564
 Cl              7.50173995      9.77133999      2.31016995      0.07513626      0.65816740      1.27452014      17      -1      -1       0      61      0.02751083      0.62227126      1.44887867
 Cl              8.45443997      2.68556998     11.01949996     -0.74487770      0.38387343      2.75742627      17      -1       0      -1      71     -0.69553740      0.55840218      2.88936649
 64
 energy=-225.90393891261181 stress="-0.00321854      -0.00204175       0.00529549      -0.00204175      -0.00165582       0.00295444       0.00529549       0.00295444      -0.00923978" free_energy=-226.30791539 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.77504999      4.04533001      5.34005995      0.26209008      0.63568410     -2.09951969       3      -1       0       0      66      0.27491426      0.79613193     -1.80641580
 Li              3.05392005      3.23404005      9.70451000      0.61557569      0.28540215     -0.25000928       3       0       0      -1      63      0.67672206      0.15223218     -0.22127074
 Li              1.68422002      4.39290004      5.59937004     -0.20174262     -0.00040490     -0.49309775       3       0       0       0      67     -0.04525200     -0.05707417     -0.12787166
 Li              1.57177000     10.84230002      1.48714997      1.58942049      0.09768168      0.89987171       3       0      -1       0      64      1.41668041      0.13598096      0.89051462
 Li              9.46245995      9.51357998      6.49669999     -0.23932804      0.06829650      0.52779578       3      -1      -1      -1      66     -0.18615581      0.05956941      0.61927795
 Li              5.70564999     10.70980000      9.14317998      0.02605124     -0.00142804     -0.31949900       3       0      -1      -1      65      0.20213882      0.14780210     -0.30004288
 Li             10.79589995      1.44576002      0.12986301     -0.26013614      0.03888206      1.29059993       3      -1       0       0      63     -0.26399881     -0.12967191      1.26356623
 Li              7.65059996      0.32786695      4.01412000     -0.29569833     -0.23199310      0.29923387       3      -1       0       0      71     -0.20994567     -0.36904058      0.23180105
 Li              4.90840997      9.87332003      6.42638005      0.63170652     -0.11631018     -0.18764415       3       0      -1      -1      68      0.56239700     -0.04250772     -0.03352584
 Li              7.25486000      7.45318999      4.22826002      0.17045933      1.89275638      0.82113107       3      -1      -1       0      67      0.21786963      1.87510635      0.72890125
 Li              5.25742003      5.72951002      0.77606103     -0.14263237      0.04253439      0.04947521       3       0       0       0      64     -0.26802715      0.07619828     -0.12099358
 Li              5.28481003      2.83694995      7.31169005     -0.26604702      0.23439386      0.04029452       3       0       0      -1      69     -0.49103889      0.14387128      0.18904598
 Li              4.84289000      4.15943995      3.62675000     -0.05925628     -0.08649896     -0.02850721       3       0       0       0      70     -0.17236909     -0.24370359      0.05397854
 Li              1.39275996      8.02457005      3.42200999     -0.02187569     -0.28531182     -0.17629069       3       0      -1       0      61     -0.03564043     -0.27486309     -0.33457338
 Li             10.75450003      1.47249999      3.77210996      1.44906677      1.20207489      0.97240612       3      -1       0       0      64      1.42099332      1.17801326      0.90197180
 Li              1.82505997     10.06749995      6.86991000      1.67494007      0.36281917     -1.43776544       3       0      -1      -1      67      1.54105228      0.35548164     -1.27979140
 Li             10.96919997      8.74434995     10.26180001      0.08310804      0.11113974     -0.07102781       3      -1      -1      -1      65     -0.14495866      0.09567522     -0.10236571
 Li             10.29329995      5.26020997      0.24355703      0.02365132     -0.56688333      1.87673981       3      -1       0       0      65     -0.02352168     -0.58729627      1.67224423
 Li              1.71963995      3.62278003      1.94304002      0.21037907      0.47744768      1.14453539       3       0       0       0      65      0.20041165      0.38928684      1.05450117
 Li              0.94640395      1.04755994      8.14106995      0.66159783     -0.10794486     -1.43551529       3       0       0      -1      65      0.69694035     -0.17536255     -1.48205285
 Li              2.55028998      0.89875301      4.80037002      0.01668069     -0.66582846      0.80645990       3       0       0       0      63      0.02854966     -0.65770924      0.78912210
 Li              7.24734998      9.07202005      0.35644797     -0.10356397      0.21419155      0.29017935       3      -1      -1       0      60     -0.10910533      0.33734268     -0.03048751
 Li              5.11554005      9.23114999      2.84497001      0.32353477      1.08003659     -2.96846533       3       0      -1       0      65      0.40345465      1.14397640     -2.83257835
 Li              6.04475996      1.43587001      0.14877403     -0.51337674     -0.56254260      0.23335061       3      -1       0       0      66     -0.30837984     -0.62383362      0.10694402
 Li              7.31980997      5.56932996      8.77813999     -0.47652670      0.02907845     -0.32813393       3      -1       0      -1      64     -0.43725711     -0.11880532     -0.38895584
 Li              0.27491986      4.56029997      8.85779003     -0.99017787      0.63181842      1.20282497       3       0       0      -1      68     -0.86593345      0.56642125      1.19002412
 Li              8.03320002      1.71329000      8.45060998     -0.07719721     -0.63036852      0.07890731       3      -1       0      -1      69     -0.07356595     -0.72385277      0.19968537
 Li              9.89034999      9.90156997      2.28452997     -1.43468532     -1.81733327      2.06251216       3      -1      -1       0      64     -1.58995977     -1.73917039      2.01132120
 Li             10.20359998      5.66369004      4.10156001      0.90547940      0.27677128     -1.04940097       3      -1       0       0      67      0.87870735      0.18944602     -0.99550546
 Li              7.69323997      3.20074996      1.95052998      0.52976635      0.33092074      0.67714640       3      -1       0       0      66      0.74542277      0.11821983      0.53299428
 Li              2.85525003      7.97395995     10.68500001      0.54708334     -0.13487416      0.80941488       3       0      -1      -1      60      0.54853786     -0.08069046      0.54168100
 Li              4.36953997      6.98123997      6.82241005      0.31609608     -0.32152746      0.20470591       3       0      -1      -1      66      0.25588829     -0.26406086      0.25289335
 Cl              5.61808995      7.71824002     11.34426111      0.23079543     -0.25436596     -0.15059796      17       0      -1      -1      67      0.22758265     -0.19958294     -0.03829118
 Cl              4.66880995      8.56702998      4.52515003     -0.34644424     -1.65284156      3.60638438      17       0      -1       0      63     -0.13570297     -1.71287077      3.80609994
 Cl              8.60405995      3.84284996     11.43179995     -0.74953084     -0.50576627     -0.58216542      17      -1       0      -1      64     -0.57937636     -0.48732666     -0.38667521
 Cl              1.79040998      1.66062000      3.00092997     -0.52484530      0.10275370     -1.06889005      17       0       0       0      66     -0.60925607      0.17816363     -0.86696000
 Cl              7.83254003      9.62620003      3.20727004     -0.86394442     -1.50697936      0.21137624      17      -1      -1       0      70     -0.74386430     -1.55692742      0.04622503
 Cl             10.65210005      6.33025997     10.06390005      0.36482446      1.10526739     -1.64794913      17      -1      -1      -1      64      0.46840040      1.04819020     -1.56677318
 Cl              3.70025999      0.20448802      6.83658999     -0.79523538      0.70342650      0.08723114      17       0       0      -1      63     -0.89335376      0.70829950     -0.05859254
 Cl              4.86140997      4.91880004      8.67605998      0.25623917      0.75588145      0.49310396      17       0       0      -1      63      0.23659861      0.78313166      0.35886344
 Cl              4.18162001      3.83260995      1.16295996      1.56533988      0.08241218      0.99577906      17       0       0       0      70      1.65196573      0.19112629      1.22647477
 Cl             11.08104308     10.45220003      0.95046701      2.11108414      0.50903824     -4.10048200      17      -1      -1       0      67      2.15478300      0.36050518     -3.95926803
 Cl              6.90674003      8.38756997      7.48721998     -0.05814718     -1.41565087      0.11111205      17      -1      -1      -1      67     -0.20752703     -1.33648930     -0.04799010
 Cl              7.57167000     10.81179999     10.49880004      0.18144024      0.50305541      0.07692479      17      -1      -1      -1      63     -0.06473610      0.41451322      0.12968505
 Cl              3.83637000      4.37190998      5.81354996      1.38705879     -0.10357289     -0.97933141      17       0       0      -1      64      1.33990657      0.20786444     -0.86808428
 Cl             10.05380002      3.84579995      2.89456999     -0.15687220     -0.67658408     -0.12988100      17      -1       0       0      64     -0.17153324     -0.61242553     -0.03511205
 Cl              3.15115996      8.91099002      8.73944002      1.09007272     -0.34171320     -0.33222909      17       0      -1      -1      62      1.19671227     -0.33787095     -0.28889959
 Cl             11.05669994      1.31931004      9.59622002     -1.10844948      0.28826617     -0.12568944      17      -1       0      -1      61     -0.82502884      0.39761612     -0.08599850
 Cl             10.81799999      7.52342005      2.04706002     -0.67108282     -0.15168421      0.31562995      17      -1      -1       0      64     -0.91101377      0.02313178      0.33865799
 Cl              6.46223000      2.13636997      3.67722998     -0.08719115      0.71023702     -0.05336735      17      -1       0       0      66      0.00624222      0.80439477     -0.05340558
 Cl              6.86121996      5.62199995      3.65058000     -0.77990969     -1.87674505     -1.04229502      17      -1       0       0      67     -0.73122000     -1.81118984     -1.07462422
 Cl              1.52489003      3.65955997      7.59957004      0.45054810     -1.00554666      0.52284181      17       0       0      -1      66      0.51196882     -0.98221458      0.39928619
 Cl              0.37141986      9.67263002      8.08952001     -3.18184135     -0.43326874      1.28860458      17       0      -1      -1      67     -3.07738335     -0.29504463      1.26817989
 Cl              1.66019995      3.69700001     11.35129995     -1.84507697      0.08924620     -1.67387901      17       0       0      -1      64     -2.11504704      0.11097652     -1.87986423
 Cl              2.90147000      8.02730004      1.75189000     -0.14851907      0.18638892     -0.99766254      17       0      -1       0      66     -0.00073947      0.28417572     -0.92159993
 Cl              0.14898795      1.08762004      5.90721003     -0.38020008      0.14268286      0.21403851      17       0       0      -1      66     -0.38949922      0.04764578      0.07065466
 Cl              5.19395996      1.84814994      9.54892000      0.02819693     -0.54006030      0.07208963      17       0       0      -1      68     -0.01001910     -0.57283800      0.09759928
 Cl              1.42768005      5.54358004      3.77107004     -0.20297599      0.08700158     -0.04699905      17       0       0       0      64     -0.15555180     -0.05582958      0.08988894
 Cl              9.25813003      5.72601995      5.92889002      0.11377557      0.80785048      0.82569304      17      -1       0      -1      64     -0.01800489      0.70882338      0.67027102
 Cl              4.66834003     11.10139997      1.75707002      0.15077727      0.55709081     -0.61901631      17       0      -1       0      71      0.06140521      0.29442141     -0.76498525
 Cl              9.44983996      0.48109095      2.64598003     -1.19312131      1.39197989     -0.32434830      17      -1       0       0      69     -1.09832087      1.54050098     -0.23963264
 Cl              1.69034000     10.06989999      4.54217001     -0.35434475     -0.58792822     -0.27072756      17       0      -1       0      70     -0.43066256     -0.44513532     -0.11622243
 Cl              7.59432995      3.48576996      7.21225003     -0.36276355     -0.78333261      2.09551563      17      -1       0      -1      57     -0.37124358     -0.78486720      1.69117976
 Cl              6.86013005     11.20441513      6.79942004      0.92590031      1.33078123     -0.21352247      17      -1      -1      -1      68      0.83794810      1.41401906     -0.11412428
 64
 energy=-222.96065189890882 stress="-0.01348423       0.00462982      -0.00134419       0.00462982      -0.02064734       0.00089465      -0.00134419       0.00089465      -0.01566169" free_energy=-222.90075168 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              2.29505005      6.53090000      0.31861103     -0.35764703      2.18956608      0.24659681       3       0      -1       0      67     -0.39139453      2.10356464      0.37125887
 Li              8.43754002      4.13079003      9.29916000     -0.43528077      0.86020136      0.50241355       3      -1       0      -1      65     -0.52567205      0.83966494      0.36540342
 Li              7.42367004      2.75234998      6.04642996     -0.07989192      0.40124576      0.35678020       3      -1       0      -1      65      0.14820796      0.30647743      0.51587791
 Li              3.71973998      2.63465000      5.54654000     -1.10563249      0.70690278     -0.46360230       3       0       0       0      63     -0.99271389      0.77811730     -0.42297995
 Li              2.59816997     10.96919997      6.77964003     -0.14388096      1.20917138      0.31102850       3       0      -1      -1      66     -0.22335624      0.98316564     -0.03770655
 Li              7.83084997      1.77668002     11.28010001      0.77655687     -0.03182435     -1.43572080       3      -1       0      -1      70      0.64395575     -0.02519301     -1.45723597
 Li             10.92259996      1.36677996      8.13062003      0.73072186     -0.59732528      0.34287860       3      -1       0      -1      71      0.45618615     -0.72704447      0.29181955
 Li              8.51747001      9.49163999      9.11292002     -0.20639679      0.00587579      0.80535139       3      -1      -1      -1      62     -0.25623145      0.18624252      0.68650076
 Li              6.08207000      9.97295002      6.61008000      0.43887680      0.30192345      0.39166373       3      -1      -1      -1      66      0.58589211      0.32040086      0.33968380
 Li              2.30895003      5.38132998      8.14064004     -0.20907985      0.00279590     -0.15543471       3       0       0      -1      66     -0.27285381      0.24127275     -0.27082152
 Li              1.65166995      0.68533501      3.42395995      0.25337022      0.68282024      1.40956351       3       0       0       0      65      0.42355362      0.36658324      1.27298291
 Li              9.49509005     10.68689998      5.97449997      0.39277043     -0.80698218      0.07922103       3      -1      -1      -1      64      0.32740991     -0.83544555      0.23752720
 Li              0.80319996      8.94602005      1.85832002     -3.60050008      2.94270416     -2.60913845       3       0      -1       0      68     -3.26638164      2.40064670     -2.43850168
 Li              9.34495005      6.80576002      0.10206603     -0.06512465     -0.40530086     -0.40100595       3      -1      -1       0      66     -0.20273712     -0.54911347     -0.31647555
 Li              1.16641999     11.05619998      0.07808596      0.05456416      0.47415058     -0.34161074       3       0      -1       0      68      0.17662732      0.46048748     -0.23276556
 Li              1.71118000      4.69152998      3.43058000      0.66262851     -0.33193257     -0.02246786       3       0       0       0      65      0.68361156     -0.13753310     -0.10394489
 Li              5.72789001     10.86520003      0.38731096      0.64402679     -0.00490163     -0.43804648       3       0      -1       0      69      0.57272858      0.07124360     -0.51353119
 Li              6.15182005      5.84333003      5.23077005     -3.48454756      1.09714340      0.57452961       3      -1      -1       0      65     -3.21779001      1.07554773      0.61632282
 Li              9.61785002      6.52003003      6.26575001     -0.52108672      0.43342259     -0.02374377       3      -1      -1      -1      63     -0.49214995      0.39691383     -0.14476802
 Li              2.64823999      2.84197004     10.66909997      0.50884944     -1.07023468     -0.80029854       3       0       0      -1      66      0.58054217     -1.10973744     -0.65172555
 Li              5.29519002      2.28469999      8.60373000     -0.64290785     -0.91188459     -0.78364250       3       0       0      -1      63     -0.40337320     -0.70574793     -0.80764831
 Li              6.12968001      0.15941299      3.83684004      2.17892895     -0.44821950      0.85581941       3      -1       0       0      69      1.94280772     -0.53314336      0.84804355
 Li              0.83283203      8.20278997      5.08811004      0.23170688      1.76034981     -2.44857078       3       0      -1       0      65      0.38061042      1.52732966     -2.40845756
 Li              0.08063264      8.21738996      9.43266005     -0.28131403      0.01584877     -0.27611464       3       0      -1      -1      64     -0.26469792      0.23305217     -0.17064929
 Li              3.73302995      9.22715996      9.92789998      0.19796370     -0.06501113      0.34140012       3       0      -1      -1      68     -0.00363947     -0.01888430      0.43680049
 Li             11.24290003      3.75824999      0.33376601      0.34140376     -0.07864315      0.12070204       3      -1       0       0      65      0.25249614      0.04871726      0.11870730
 Li              9.51327996      3.80888004      3.19245005     -0.63991113      0.06728906      0.10128551       3      -1       0       0      66     -0.51918775      0.07883531     -0.09915750
 Li              7.75821000      8.52320994      2.73008004      0.16639150      1.45006264      1.52774678       3      -1      -1       0      67      0.19731323      1.28796477      1.65350852
 Li              5.91852001      6.09995003      9.30961003      0.01331690      0.75661653      1.90107092       3      -1      -1      -1      64      0.24872539      0.77794691      1.80512908
 Li              4.38390998      2.05137999      1.51258003     -0.32405812      0.28177026     -1.48183195       3       0       0       0      64     -0.14788121      0.28831692     -1.46676023
 Li              6.36886994      4.96653994      0.86240597      0.24283789      0.13269726     -0.34490949       3      -1       0       0      66      0.31956873      0.23865196     -0.24535820
 Li              3.62345001      9.60410996      3.18262000     -0.74186333      0.03259599     -0.13673305       3       0      -1       0      60     -0.80414344      0.04609422     -0.00098569
 Cl              1.00613996      1.42915000     10.45899995     -1.10614371      0.52317963     -1.08633082      17       0       0      -1      71     -1.11599587      0.41835399     -1.04673388
 Cl             11.14001912     10.41040000      8.02261000      0.43255525      0.07149407     -0.18433969      17      -1      -1      -1      68      0.38802653      0.09753745     -0.19508295
 Cl              2.38361998      9.70261003      5.13796005      0.08972765     -0.28363970      0.05466287      17       0      -1       0      64      0.13224214     -0.24231021      0.18473941
 Cl              1.48327997      7.51415004      2.49669000      2.80548861     -5.80751828      2.69738195      17       0      -1       0      64      2.50294163     -5.39122847      2.61023839
 Cl              2.59005005      4.62382996      0.18318601      0.76942554     -1.32756760      0.45166528      17       0       0       0      68      0.75493642     -1.24378003      0.26687701
 Cl             11.31958804      5.98834997     10.66719999      0.36591312      0.40351866     -0.31413566      17      -1      -1      -1      63      0.12000745      0.34143423     -0.39846666
 Cl              7.57020005      7.08529000      1.44465005     -0.56610283     -1.60231680     -1.17169936      17      -1      -1       0      71     -0.32733201     -1.54228306     -1.33487231
 Cl              5.48213001      9.60030004      4.25034000      1.20076305     -1.06869466      0.11993950      17       0      -1       0      60      1.00133316     -0.81763360      0.23634165
 Cl              1.33748001      2.23237999      2.10176997      0.33697397      0.65008566     -0.52155470      17       0       0       0      68      0.27347711      0.45656501     -0.37717518
 Cl              1.68729004      9.01426003     10.83519996     -0.60744656     -0.32121899     -0.51291530      17       0      -1      -1      67     -0.56494651     -0.06611259     -0.63989583
 Cl              7.88526002      0.62731497      6.08177995     -0.22827112     -0.05131689     -1.21621161      17      -1       0      -1      67     -0.20299249     -0.07840197     -1.32829183
 Cl              9.47963998      8.68726998      4.08252999      0.58970154      0.25227434      0.04956270      17      -1      -1       0      60      0.54577023      0.37719257     -0.05049284
 Cl              3.55869998      3.64623996      8.13301996     -1.16345376      0.03681378      0.20027816      17       0       0      -1      66     -1.23478722      0.04857095      0.16797829
 Cl              4.00072995      4.61893999      4.51751000     -0.02037929      0.48798082     -0.41604131      17       0       0       0      66     -0.31341915      0.48409946     -0.53342653
 Cl              6.07195999      5.48552997      7.47490001     -0.12212367     -0.27721896     -1.75747925      17      -1       0      -1      69     -0.33349024     -0.29706096     -1.74657393
 Cl              8.48300999      3.93857005      0.28062299      1.19457279      0.23978143      0.65114350      17      -1       0       0      64      1.12181832      0.04158196      0.53004320
 Cl              8.62782998     10.82249995     10.79329997      0.15443255      0.29381791      0.62877241      17      -1      -1      -1      63      0.12664855      0.44573437      0.64038887
 Cl              1.71424004     10.59470000      2.11078995      1.27226292      1.15972772     -0.02701306      17       0      -1       0      63      1.27994227      1.39317592     -0.08663356
 Cl              4.57447005      1.08669005      3.24537994     -3.16986541      0.50588109      1.08440426      17       0       0       0      62     -3.14097345      0.54138694      0.85171227
 Cl              8.51171998      6.77089003      9.27382004     -0.07024624     -0.19046359      0.46414325      17      -1      -1      -1      61     -0.15933039     -0.18865990      0.62496141
 Cl              6.04689999      3.36784001     10.16069996      0.42801308      0.97461027      0.91592651      17      -1       0      -1      66      0.36510705      0.95427945      1.02768989
 Cl             11.23050003      4.71332999      2.45514998     -0.80294070      0.94531482      0.15006778      17      -1       0       0      61     -0.59574550      0.76012949      0.42651313
 Cl              7.83312001      5.09630998      5.03022998      4.05301538     -2.00536093     -1.14868728      17      -1       0       0      63      3.83193308     -1.93323626     -1.00766383
 Cl              9.12523002      2.52759002      8.10562996     -0.05530524      0.48124820     -0.07284001      17      -1       0      -1      65      0.05784767      0.48850061     -0.10499747
 Cl              6.70912003      1.29651000      1.38597001      0.20692021     -0.41747939      1.35250576      17      -1       0       0      71      0.04404908     -0.51970789      1.27535395
 Cl              8.29941997      9.10954998      7.13347002     -0.71122673     -0.69319839     -1.48620909      17      -1      -1      -1      65     -0.57499418     -0.76359428     -1.35832025
 Cl              4.86818995      1.23733998      6.44208003      0.80012616     -1.31594013      1.13169278      17       0       0      -1      62      0.90207672     -1.34260177      1.00722126
 Cl              5.50622001     10.24259997      9.29955001      1.03410347     -1.36565720     -1.96649881      17       0      -1      -1      71      1.17085152     -1.56790465     -1.80580173
 Cl              1.47302001      1.71842004      5.46973998     -0.18494917     -0.17589979      0.62891369      17       0       0       0      66     -0.17513938     -0.03513123      0.56823004
 Cl              4.28132004      0.59216905     10.83889994     -1.84862226      1.78184258      1.13209459      17       0       0      -1      62     -1.85182673      1.77472211      1.43272745
 Cl              4.46641004      7.44223999     11.19689995      0.38748685     -0.45148209     -0.20196367      17       0      -1      -1      68      0.61566179     -0.50510145     -0.18472944
 Cl              0.39428101      6.93947995      6.39483998     -0.46019689     -2.50549143      2.66558493      17       0      -1      -1      64     -0.59973070     -2.50391140      2.57804900
 64
 energy=-221.00758966236370 stress="-0.02338820      -0.00266867       0.00496652      -0.00266867      -0.01991624      -0.00150432       0.00496652      -0.00150432      -0.02806337" free_energy=-220.48421211 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li             11.38289998      0.72651998      0.93048305      0.38466427      0.09511538      0.70139282       3      -1       0       0      66      0.34658674     -0.04100949      0.60733313
 Li              3.30923002      6.16643002      9.82540003     -0.37003825      0.24854145      0.47471364       3       0      -1      -1      63     -0.37870411      0.03849788      0.50290758
 Li              4.99131001      3.25529001      0.15272702      0.21862780     -0.87679353     -0.29341669       3       0       0       0      68      0.29317013     -0.66756845     -0.40268000
 Li              6.37500001      0.68113897      9.82339997      0.23326280     -2.27908919     -1.21153102       3      -1       0      -1      63      0.28011770     -2.18642742     -1.08836373
 Li             10.23609996      0.57162700      7.56227995      2.55013178      0.38951887     -1.26467763       3      -1       0      -1      63      2.36652422      0.43129795     -1.17575259
 Li              4.38548999      9.40287000      0.51978496     -0.23076772      0.28983019     -0.22058936       3       0      -1       0      67     -0.23212365      0.35307516     -0.09832539
 Li              7.85314994      3.38513995      3.35694997     -0.28949791     -0.13400698      0.38543165       3      -1       0       0      63     -0.00898103     -0.14288805      0.36571697
 Li              1.05989001      8.06159005      7.19019997      1.37785340      0.15775511     -0.58661608       3       0      -1      -1      60      1.14322520      0.30799779     -0.44081569
 Li              9.84924000      0.81832799      4.15375997      0.30330453      0.28073190     -0.17567356       3      -1       0       0      63      0.17770479      0.39315688     -0.31012064
 Li              6.34431002      0.21141898      2.19932996      0.27971568     -0.03555877      0.59685828       3      -1       0       0      62      0.17131800     -0.14278004      0.62181117
 Li              2.22374005      6.07086997      4.07602998      0.71398062      0.74181939      2.33653591       3       0      -1       0      62      0.73101748      0.63586731      2.28895876
 Li              1.44537000      4.13304998      6.79556002     -0.73385565      0.60713369      1.57154927       3       0       0      -1      65     -0.74528273      0.56856007      1.70817673
 Li             10.74919998      5.00521997      1.44400002      0.30173055      0.95253193      0.00385005       3      -1       0       0      66      0.29754522      0.91008309     -0.07588099
 Li              8.31247997      3.86084005      7.15691997     -0.84488347      1.92717606      1.86264082       3      -1       0      -1      66     -1.08659608      1.87906193      1.87139426
 Li              7.37536999     11.02440002      5.95764003      0.20058669     -0.01773002     -0.08641268       3      -1      -1      -1      64      0.26720918      0.15637259     -0.00855164
 Li              2.06425002     10.53460000      9.89812002      0.07312775      2.91388775     -0.70908709       3       0      -1      -1      69     -0.09083512      2.74134300     -0.85428252
 Li              5.40123999      5.95936999      6.26891999     -0.37536990      0.01226976     -0.27883549       3       0      -1      -1      69     -0.29136445     -0.21228232     -0.16417579
 Li              4.74477995      9.06273995      8.33304001     -0.01598062      0.11099000      0.16900713       3       0      -1      -1      71     -0.00463222      0.11053805      0.30669223
 Li              4.51706003      2.72060998      5.20290004      0.20287950     -0.45503659     -0.28727161       3       0       0       0      64      0.08519831     -0.31728640     -0.13997928
 Li              1.90935005      9.78263001      2.94893006      0.37032469      0.35060718      1.20521909       3       0      -1       0      65      0.61365619      0.49500067      0.93098122
 Li              1.63643003      3.79257003      0.15080997     -1.56871063      0.07499727      1.15052194       3       0       0       0      73     -1.62007505      0.12102424      1.13130750
 Li              2.82013999     11.39920001      6.55908998     -0.09851775      0.20212706      0.35116030       3       0      -1      -1      68     -0.07808395      0.17899113      0.35048403
 Li              6.77138999      6.19593999      0.18620100      0.39826467     -0.02275824      0.02632438       3      -1      -1       0      64      0.37111719     -0.09940677      0.07715338
 Li             10.07799997      5.72028002      9.13117998      3.56736238      2.88190026     -2.67668837       3      -1       0      -1      60      3.22637468      2.79807682     -2.43797082
 Li              1.73312997      2.30672998      3.70299996     -0.00110851      0.01823135     -0.29843078       3       0       0       0      62      0.07173284      0.05790862     -0.44979271
 Li              5.69883998      8.26929001      3.66942005      2.19232861     -1.83182394      2.29467515       3       0      -1       0      64      2.15003608     -1.72838393      2.16624026
 Li              9.37759998      9.05231995      2.03444002      0.26564169     -0.40206250      0.50059657       3      -1      -1       0      66      0.20040024     -0.57971606      0.26758578
 Li              9.47138994      9.40281004      9.90618996      0.31126915      0.41111437     -0.07790298       3      -1      -1      -1      63      0.46475630      0.22428694     -0.03319188
 Li              1.45021997      7.85309996      0.58206901     -0.17212519     -0.35540913      0.23402364       3       0      -1       0      63     -0.22163685     -0.36431317      0.27807206
 Li              8.42383997      2.95238998     11.31110000     -0.15411294      0.02654564      0.31543994       3      -1       0      -1      61     -0.12779461      0.03543592      0.26263894
 Li              4.69821996      2.82611001      8.41108997     -1.87993409      0.29967047     -0.89197141       3       0       0      -1      63     -1.72408301      0.47855915     -0.88397401
 Li              9.60273998      8.16101998      6.53629005      0.27865969      0.53582580     -0.36716025       3      -1      -1      -1      63      0.23698571      0.57450378     -0.31995241
 Cl              3.03321005      9.25846994      6.95775998     -0.35189631     -1.24826048     -0.87109793      17       0      -1      -1      65     -0.38929796     -1.30105143     -0.78708475
 Cl              0.84779899      0.39295001      3.34410998     -2.50589786     -0.48018852     -0.78673277      17       0       0       0      66     -2.24245926     -0.52710124     -0.62795590
 Cl              9.50756995      6.15698001      7.28070003     -1.06737215     -1.62579242     -1.43455406      17      -1      -1      -1      68     -1.01011401     -1.40420515     -1.63596532
 Cl              9.68838996     10.36099996      5.25730997      0.38700680      0.48670197     -0.15049626      17      -1      -1       0      63      0.49556092      0.59720380     -0.09070298
 Cl              0.02461060      3.03723998      1.30780999      1.07121073     -1.27399702     -0.85543488      17       0       0       0      68      0.88526060     -1.23257787     -0.94086534
 Cl              6.03643999      0.84820597      4.18134005      1.67666071      0.21637448      0.54068038      17      -1       0       0      60      1.82900850      0.22769486      0.51367030
 Cl              9.03138995      2.70845004      5.85649997      2.15268829     -2.28122028     -2.26588218      17      -1       0      -1      68      2.08972060     -2.46614163     -2.39645913
 Cl              1.31632004      0.86039502      8.50547998     -0.87173052      0.19630123     -0.27171685      17       0       0      -1      67     -0.79681707      0.00608658     -0.35087096
 Cl              1.65763998      9.96829999      0.89802205     -0.36031942      1.76846870      1.03837635      17       0      -1       0      63     -0.47672454      1.63325454      1.09752323
 Cl              2.45035001      3.73239001      5.18594001      0.78471482      0.24772940     -0.97540403      17       0       0       0      67      0.72299303      0.17814383     -1.03641083
 Cl              4.33071996      6.57850004      4.09157004      1.10063252     -0.82099192      0.95721721      17       0      -1       0      65      0.96138007     -0.75234456      1.03470435
 Cl              7.40179998      8.65634004      6.17167000     -1.54025239     -0.40746950      0.09018960      17      -1      -1      -1      69     -1.58744760     -0.49299913      0.10173851
 Cl              4.33809998     11.29036409      8.60501996      1.03948666      0.78765975      0.59044026      17       0      -1      -1      64      1.13282807      0.70477569      0.50666312
 Cl              9.72341999     10.74970005      0.81378997     -0.55111034     -0.56852740     -1.11308001      17      -1      -1       0      64     -0.47447635     -0.73696445     -1.16997186
 Cl             11.05570003      8.37322999      8.52553994     -1.81827406      1.02656319      1.27770011      17      -1      -1      -1      60     -1.88487556      0.94634246      1.26169699
 Cl              6.34663004      4.30279000      1.31572998      0.86048937      0.15046632      0.73449693      17      -1       0       0      62      0.85671368      0.19584688      0.62380335
 Cl              1.41766004      5.46182000      2.49566005     -0.88681020     -0.78234936     -0.52233151      17       0       0       0      63     -0.78830815     -0.78191754     -0.41632791
 Cl              9.18221001      4.88546994     10.35380005     -3.24932356     -3.13427554      4.25936161      17      -1       0      -1      59     -3.00026369     -2.86690321      4.08494865
 Cl              5.40770998      7.76589003     10.78569995      0.16814302     -0.19284668     -0.48697956      17       0      -1      -1      60      0.14259620     -0.21197734     -0.53535551
 Cl              1.21253999      5.88156994     11.33680005     -1.06295363      0.49471373     -2.70321019      17       0      -1      -1      59     -0.94664982      0.60378879     -2.61006588
 Cl              9.44740002      6.87275005      1.68866003     -0.61567630      0.31745921      0.02178513      17      -1      -1       0      66     -0.39570289      0.33289215      0.24279439
 Cl              3.95059000      4.94458997      8.04988994     -0.45072243      1.07063936     -0.96884440      17       0       0      -1      62     -0.42670218      1.00153682     -0.84360734
 Cl              6.36388998      2.51853003      9.32869003      2.26985895      2.61346538      1.11273954      17      -1       0      -1      59      2.18206341      2.56753737      1.20610728
 Cl              6.26528994      3.85396997      6.30527002     -0.64925100      0.11741058     -0.65446780      17      -1       0      -1      61     -0.65791325      0.24715924     -0.53776508
 Cl              3.23974995      0.75204703      4.54942002      0.67348223      0.27180543      1.07997408      17       0       0       0      66      0.38222784      0.31810793      1.06333813
 Cl              0.65135396      7.20469002      5.28780003     -0.23967572     -0.08014241     -0.24447624      17       0      -1       0      65     -0.02955972     -0.19053034     -0.32056044
 Cl              9.13786996      2.02406004      2.22033000     -1.86345557     -0.24900849      0.32087909      17      -1       0       0      62     -1.76757156     -0.09277582      0.37504680
 Cl              5.84725999      0.16110695      0.20703504     -0.69677131     -0.56498547      0.88316196      17      -1       0       0      64     -0.73321018     -0.61807467      0.90981943
 Cl              3.28444998      3.89118004     10.65730001      1.88089154     -0.90059136     -0.89185118      17       0       0      -1      72      1.83188195     -0.82975964     -1.00559782
 Cl              8.53572997      0.23881104      8.33761001     -2.32225748     -1.01649153      1.54972354      17      -1       0      -1      67     -2.21632320     -1.04014355      1.34290623
 Cl              2.10154997      8.67028004     10.13090005      1.69559302     -3.94510634     -1.87332418      17       0      -1      -1      63      1.53336544     -3.62068087     -1.68827583
 Cl              4.43332997      9.18671994      2.71610004     -2.14592205      2.68843400     -2.14051733      17       0      -1       0      68     -2.10566665      2.59820063     -2.22456177
 64
 energy=-222.73664308919061 stress="-0.00879101      -0.00094166       0.00107813      -0.00094166      -0.01203733       0.00500074       0.00107813       0.00500074      -0.01825194" free_energy=-222.87346842 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li             10.88839995      2.28885005      3.90079995     -0.22262463     -0.19302910      0.21255169       3      -1       0       0      64      0.00362126     -0.15597565      0.14738787
 Li              9.68362002      8.72378005     11.16849994     -0.42389936      0.39222601     -0.01550685       3      -1      -1      -1      64     -0.25323966      0.26163776      0.01181753
 Li              5.98470994      6.23465005      1.22720005      0.64470734      0.62245146      0.07819798       3      -1      -1       0      60      0.45941394      0.69547412     -0.06226668
 Li              6.09590005      4.66215001      5.27466001      0.33470690      0.11221471      0.31976102       3      -1       0       0      61      0.36552647      0.29376529      0.36987733
 Li              7.66852001      7.27816998      8.94128002      0.01010377      0.02743598     -0.43365327       3      -1      -1      -1      70      0.08600267      0.01821731     -0.35274370
 Li              3.90165002      0.51045005     11.04139994      0.79416637     -0.45658545     -0.17487170       3       0       0      -1      66      0.75023411     -0.37819777     -0.01070772
 Li              6.54514999      2.76125005      1.30605000     -0.02293535     -0.30759062      0.20256227       3      -1       0       0      71     -0.00964842     -0.23697616      0.20471830
 Li              1.42629000     11.03369996      5.48387005     -0.35308642      0.10622134     -0.52371796       3       0      -1       0      66     -0.09481044      0.07189273     -0.32426670
 Li              8.54068999      1.00235996      6.32515997      1.40039417      0.38196028     -0.25497588       3      -1       0      -1      67      1.18047670      0.64230901     -0.28041194
 Li              2.63947004      3.68301004      5.34144999      0.12543427      0.29801748     -1.24813415       3       0       0       0      66      0.39643117      0.16486323     -1.26158464
 Li              3.88680997      8.27501000      5.57414002      0.22845327     -0.95446615      0.92222746       3       0      -1       0      62      0.39444202     -0.89709345      0.87313012
 Li              0.50971003      0.07071993      0.72958999      0.91684793      0.53852294      0.03863930       3       0       0       0      68      0.88465735      0.50855203      0.21124747
 Li              9.88740998      5.63108998      0.21086996     -0.13858802     -0.32314593     -0.64955682       3      -1       0       0      62     -0.03066948     -0.29020595     -0.68560093
 Li              6.70145994     10.51099998      8.67169003     -1.71730448      0.16267232     -0.76809330       3      -1      -1      -1      70     -1.69833409      0.32773649     -0.87726564
 Li              2.21856003      8.27330996      1.02064995     -0.17783303     -2.49549250     -0.32108741       3       0      -1       0      67     -0.09192236     -2.44330625     -0.46184408
 Li              0.40406600      6.57552001      8.56504998     -0.63340521     -0.82765849     -0.97680736       3       0      -1      -1      63     -0.61409377     -0.76777515     -0.63457764
 Li              4.60003000      9.19304995      2.37894004      0.10864189      0.90561861      1.30498688       3       0      -1       0      64      0.12455741      0.81333714      1.02836829
 Li              9.88643999      1.10852997     10.39330000     -0.62689847      0.44895817     -0.28750112       3      -1       0      -1      68     -0.60914562      0.52644789     -0.24185136
 Li              7.31896998      8.62501997      5.28078996     -0.07503029      0.69964401      0.39844518       3      -1      -1       0      63     -0.17108248      0.57182164      0.23256073
 Li             10.30210005     10.33879996      8.16333003     -0.12064311     -0.24268616      0.20703325       3      -1      -1      -1      68     -0.28600100     -0.24737451      0.67364343
 Li              7.26913005     10.45700001      0.86355102     -0.11816714     -0.07065798      0.32066321       3      -1      -1       0      66     -0.08240775     -0.01005161      0.21772397
 Li              1.04167005      2.26891000      8.97478003      0.03886193      0.38810392     -0.00574225       3       0       0      -1      68      0.00979610      0.49208605      0.13589613
 Li              9.08940001      5.48913995      3.73819002     -0.41391850      0.10348067      0.27255989       3      -1       0       0      64     -0.40017317      0.20793912      0.45624501
 Li              9.69136001      9.67413998      3.24126003     -0.14688058     -0.02144368     -0.21200076       3      -1      -1       0      65     -0.12664566      0.02251443     -0.51739939
 Li              0.56477297      7.75923995      4.90876995     -0.04058816     -0.47389452      0.15883500       3       0      -1       0      68     -0.10110720     -0.47892009      0.12252293
 Li              2.40976003      0.94784295      2.96072004      1.43924724     -1.31340688     -2.91822566       3       0       0       0      60      1.37444025     -1.34690936     -2.71981242
 Li              6.79882997      4.00902000      9.86818002      0.53988496      0.34454453     -0.52429156       3      -1       0      -1      67      0.46703360      0.19428055     -0.57288362
 Li              2.72666002      8.93940000      8.83121996      0.45429975      0.03076856     -0.02922211       3       0      -1      -1      66      0.25707792     -0.10653635      0.05735141
 Li              2.30776004      4.29947006      0.27015301     -0.44101618     -0.44440269     -0.73288689       3       0       0       0      62     -0.35787234     -0.40041918     -0.69704832
 Li              5.89236001      0.65017200      4.35091005     -0.56930154      0.03246950      0.38902769       3      -1       0       0      69     -0.57660652      0.08540290      0.34464670
 Li              4.30079005      1.25395000      7.39615003      0.25215805      0.16736086     -0.28849453       3       0       0      -1      66      0.36076843     -0.03091853     -0.44321883
 Li              9.29603002      4.29127000      7.27788005      0.28547868     -0.09663289     -0.24316541       3      -1       0      -1      65      0.35125178     -0.06108336     -0.35379490
 Cl              2.83605998      7.08797001      4.13884999     -1.03307099     -0.49546627     -0.45208410      17       0      -1       0      68     -1.13867281     -0.29458858     -0.45427791
 Cl             10.94809996     10.74790004     10.49560001      2.83957300      1.38071195     -7.12121090      17      -1      -1      -1      67      2.79965569      1.14934766     -6.89486790
 Cl             11.12499999      4.37569995     10.19269997      0.30774554     -0.35925845      0.26238720      17      -1       0      -1      66      0.28930517     -0.25060744      0.08178327
 Cl              2.32051004      1.85617998     11.14170001     -0.80636579      1.16394848     -0.85431998      17       0       0      -1      63     -1.02720255      1.17273996     -1.08116533
 Cl              1.70982997      6.80207998     10.11449994      1.78474782      0.66648190      1.23197956      17       0      -1      -1      65      1.88808018      0.78911165      1.01139993
 Cl              2.24597995     10.17460005      1.03835000      0.72102282      2.43672703      0.33618099      17       0      -1       0      62      0.79701241      2.33383283      0.41256426
 Cl             11.20430002      5.13534000      5.99859995      0.97189024      0.78346880      0.66790984      17      -1       0      -1      62      0.92880564      0.88831312      0.81295184
 Cl              6.86108996      6.69343999      4.64842004     -1.06197386     -2.14122206     -0.16176682      17      -1      -1       0      63     -1.04243070     -1.94941377      0.02007509
 Cl             10.83699997     11.35590000      4.12817995     -0.41886573     -0.20705077      1.58476222      17      -1      -1       0      69     -0.57448072     -0.40363312      1.69640755
 Cl              2.51393996      1.21025997      4.76907999      0.12210038      0.84331675      2.96009748      17       0       0       0      64      0.11546961      0.70206966      3.13395092
 Cl              5.56557002      0.79444904      2.06512004      0.29564489     -0.73593330     -0.44455000      17       0       0       0      70      0.51160893     -0.80709290     -0.45081595
 Cl              4.37395004      7.78832001      0.89107298     -0.00482374     -1.45492493     -1.12692975      17       0      -1       0      65      0.05459589     -1.55778369     -0.84911325
 Cl              6.85364001      8.86110000      2.59926000      0.61439553      1.11925805     -0.52607183      17      -1      -1       0      71      0.47394991      1.32145874     -0.69031731
 Cl              9.74158995      2.00838997      8.28036004      0.39056518     -0.12826208     -0.25012102      17      -1       0      -1      64      0.35904942     -0.34964437     -0.24237210
 Cl              9.03360004      3.55243005      4.74167004     -0.61819093     -1.26750179     -0.25626723      17      -1       0       0      64     -0.69161690     -1.39394202     -0.18258751
 Cl             10.37599994     10.28019995      1.16100003     -3.00508548     -2.40883838      6.47539352      17      -1      -1       0      69     -2.75058644     -2.27840156      6.43743557
 Cl              5.50987998      2.57097005     10.78330002     -0.11237960      0.24663794     -0.08698459      17       0       0      -1      67     -0.05029670      0.46339355     -0.16728368
 Cl              1.41780001      9.54812002      6.95876001     -0.54107927     -0.91171573      0.58687240      17       0      -1      -1      72     -0.56036167     -0.92559786      0.45469892
 Cl              8.05475000     10.45360005      7.04736995      2.56275870     -3.08010007     -1.30682612      17      -1      -1      -1      69      2.79597259     -3.13969751     -1.31410590
 Cl              9.55565997      7.60320995      4.09532000      1.79541731      0.79170232     -0.04871441      17      -1      -1       0      69      2.01539571      0.76718306      0.04415143
 Cl             10.21810000      7.72623005      9.33234003     -0.38575833      0.33706525     -1.15544621      17      -1      -1      -1      63     -0.47472926      0.17794835     -1.23995537
 Cl              4.27171996     10.09429999      4.86838003      0.74196230      1.63169861     -1.26930777      17       0      -1       0      61      0.67083903      1.51764499     -1.39464668
 Cl              6.66649997      1.18029005      7.00117005     -3.06665772      2.48280885     -0.08506541      17      -1       0      -1      61     -2.90213330      2.58834614     -0.15807941
 Cl              8.06854004     10.52760003     10.16120003     -0.25400258      0.02247487      1.63488522      17      -1      -1      -1      69     -0.42764104     -0.13902436      1.48598945
 Cl              8.36763003      4.06987996      0.90104300     -0.25822346     -0.57803546      0.64588377      17      -1       0       0      66     -0.37976780     -0.50012295      0.42977343
 Cl              7.24176000      5.26270999      7.81417002      0.07969480     -0.43024478      0.42409798      17      -1       0      -1      64     -0.00587434     -0.52044769      0.51412037
 Cl              5.28908001      8.26961995      7.36458004      0.21978503     -0.38582263      0.71067398      17       0      -1      -1      72      0.16639153     -0.35883222      0.73955980
 Cl              7.96540003      6.81825998     11.12520005     -0.82131241      0.43066666      0.66761557      17      -1      -1      -1      64     -0.92398272      0.31287104      0.59526870
 Cl              0.76097896      1.67553996      2.20111002     -1.79051291      2.14447055     -0.78887664      17       0       0       0      67     -1.90102033      2.07454323     -0.70208495
 Cl              5.01505999      2.96223000      4.32256003      0.12607793      0.87689303     -0.02403317      17       0       0       0      63      0.25981853      0.89348646      0.07010165
 Cl              2.65263000      2.85766006      7.16287005     -0.19015134     -0.04560753      2.71645384      17       0       0      -1      60     -0.52198003     -0.19534516      2.54527305
 Cl              4.34929003     11.04649994      8.86901998     -0.53619337     -0.26992511      0.83582653      17       0      -1      -1      69     -0.71514418     -0.13464961      0.74630932
 64
 energy=-223.82333043180196 stress="-0.01201656      -0.00255236       0.00093292      -0.00255236      -0.01265466       0.00184887       0.00093292       0.00184887      -0.01378856" free_energy=-223.84031655 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.46428009       0.00000000       0.00000000       0.00000000      11.46428009       0.00000000       0.00000000       0.00000000      11.46428009" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              5.68608998      5.02098003      5.52801005     -0.64016720     -0.33357067      0.48296171       3       0       0       0      56     -0.70731481     -0.29410051      0.49910691
 Li              2.04750002      8.09617996      0.96284304     -0.43391415     -0.29298383      0.02838994       3       0      -1       0      66     -0.36642189     -0.13866350      0.10941762
 Li              5.92947997      2.08127000      0.90419706     -0.41535607      0.01203385     -0.21538956       3      -1       0       0      67     -0.54660261     -0.05348275     -0.39349642
 Li              7.04568997      1.70436999      5.56635005     -1.10520517      0.49745732      1.07442082       3      -1       0       0      69     -0.90579802      0.41380279      1.21546728
 Li              3.70824005      2.52215996      3.35118998      0.18132697      0.77929141     -0.54862944       3       0       0       0      65      0.11973380      0.65111545     -0.51028880
 Li              8.11432998      7.66002004      8.96051995      0.23757936      0.16224580      0.16078148       3      -1      -1      -1      66      0.45771925      0.04800125      0.18717498
 Li             10.83390003      5.72807997      7.74321999      0.13391438     -0.23589379     -0.08679825       3      -1       0      -1      60      0.02088585     -0.04907795     -0.01524045
 Li             10.94519996      2.77423002     10.97859999     -0.24323936     -0.36928123      0.08863312       3      -1       0      -1      67     -0.18408067     -0.66425283      0.17086499
 Li              6.91368005      8.69477003      6.05674002     -0.41449259      0.45791832     -0.48944525       3      -1      -1      -1      70     -0.66959898      0.56689849     -0.53458577
 Li              2.18620004      4.85598003      9.47210004      1.32360021      1.48879369      0.45038987       3       0       0      -1      65      1.34905278      1.72205976      0.57520171
 Li              1.04762999      0.83967001      7.80319996     -0.93544640     -0.06423501      0.08670763       3       0       0      -1      70     -0.82334869      0.00995566     -0.08743906
 Li              2.17763003      3.79623001      6.20007997     -1.13854886     -0.32101473      1.17306779       3       0       0      -1      62     -1.21548715     -0.17866307      1.00064549
 Li              3.55416999     11.09100003      5.17626003      0.25476716      0.35472353     -0.75360496       3       0      -1       0      71      0.21951909      0.23449957     -0.75019208
 Li              8.84012999      1.37479005      2.08074001      0.84665148      0.75703485      0.34936242       3      -1       0       0      67      0.73216567      0.64595086      0.38509759
 Li              0.82364398      3.91366000      1.72761003      0.46187567      2.16437689      0.44522771       3       0       0       0      65      0.47618242      1.99964706      0.70345290
 Li              7.17906999     10.49890000     11.12539998     -1.56383328      0.72704623     -1.02714229       3      -1      -1      -1      66     -1.53121632      0.82392770     -0.81254281
 Li              5.34720999     10.34440003      2.29379001      0.23997113     -0.30523505      0.09334209       3       0      -1       0      69      0.09096082     -0.23671143      0.16727692
 Li              9.21280003     10.82609996      8.27584999     -0.72290929     -2.01459074      3.30260504       3      -1      -1      -1      64     -0.76781556     -2.04290480      3.32543309
 Li             10.59729998      8.86756998      4.53337003      0.05050643      0.35323530     -0.46155628       3      -1      -1       0      61     -0.07384402      0.39854198     -0.46034036
 Li              5.10957002      0.08734520      8.01184000     -0.13476072     -0.06313995     -0.17328887       3       0       0      -1      71     -0.06761179     -0.10661406     -0.22794073
 Li              1.76393002     11.37830005      2.41461997     -0.29430814     -0.42161062     -1.31595821       3       0      -1       0      62     -0.11841409     -0.31903337     -1.25482563
 Li              2.77438995      0.01201995     10.78559998      0.95176969      0.45853427     -0.13243634       3       0       0      -1      68      0.92007353      0.35245192     -0.07797731
 Li              1.10956003      8.27641999      8.93914996      0.40740636     -0.72725914     -0.00263715       3       0      -1      -1      62      0.41630889     -0.66169681      0.07589957
 Li              7.50481995      3.65611002      9.34040997     -0.16071434     -0.22246295      0.04183255       3      -1       0      -1      66     -0.28095928     -0.29434657     -0.01426433
 Li              4.10732998      5.63838998      2.82853998      0.03566510     -0.10509522     -0.15600294       3       0       0       0      69     -0.00303515     -0.24145876     -0.25608495
 Li             10.36829996     10.38480004      0.41112800      0.34395235     -0.01466945     -0.71159012       3      -1      -1       0      66      0.35896159     -0.28438681     -0.79068116
 Li              7.63760004      5.11793998      2.64152994      0.59146220     -0.16970172     -0.63689173       3      -1       0       0      65      0.50223810     -0.27662373     -0.78322771
 Li              4.70630996      8.27078002      9.91614004      0.25717000     -1.65589200     -1.61763404       3       0      -1      -1      62      0.20362358     -1.55876777     -1.60381839
 Li             10.48130004      1.03377002      4.89477997      0.17293612      0.56951293      0.69446127       3      -1       0       0      69      0.08823002      0.80199764      0.73123798
 Li              9.28346998      3.92780004      5.21363003     -0.34718947      0.18649617     -0.50712878       3      -1       0       0      68     -0.48068429      0.03821681     -0.63083453
 Li              2.48542004      7.92831997      5.46728995      0.57023251      0.76580105      0.21823508       3       0      -1       0      62      0.61070598      0.80501352      0.30797215
 Li              9.28443998      7.51438001      0.77216203      0.61275156     -0.35895293     -0.18773886       3      -1      -1       0      65      0.65656512     -0.02653566     -0.54002550
 Cl              9.83665004      4.43040005      2.19158997     -0.02766281      0.29118458     -0.28275885      17      -1       0       0      66      0.13466344      0.33085951     -0.35599594
 Cl              9.63833004      9.25129995      2.18413005      0.36310389     -0.11579900      1.70326719      17      -1      -1       0      69      0.33467004     -0.19471260      1.71983894
 Cl              5.01886005      1.38198996     10.40719998     -0.24697100      0.21559122     -0.73662352      17       0       0      -1      66     -0.21823669      0.22245629     -0.68978683
 Cl              5.90937999      8.22681004      3.76356002      0.08880679     -0.02953956      0.07139388      17      -1      -1       0      67      0.04028445      0.19834025     -0.16486165
 Cl              9.18334004      1.06618000     10.80190001      1.10220110      0.75198679     -0.92320826      17      -1       0      -1      66      1.23106259      0.93926009     -1.01373739
 Cl              5.95892001      3.80677003      2.30878999      2.35058661     -0.36901410      1.08152469      17      -1       0       0      63      2.65137698     -0.17822169      1.17963470
 Cl              2.90810002      1.01413996      6.81551004      0.25531836      2.30188159      0.17341451      17       0       0      -1      65      0.26565912      2.30307813      0.02407396
 Cl              3.08050995      6.77881002      9.60824994      0.27924091      0.70041129      0.38395834      17       0      -1      -1      68      0.30653587      0.70122134      0.57057528
 Cl              3.29513996      9.74013995      6.72145995     -0.16396185     -2.43599852      0.88579573      17       0      -1      -1      58     -0.17975891     -2.38846715      0.78982726
 Cl              6.64599003      9.59806003      8.20607998      0.20522656     -0.77211566      0.39404600      17      -1      -1      -1      62      0.31825769     -0.82236379      0.36375467
 Cl              3.18569002      4.24091006      4.51938006      1.15633121      0.66564243     -0.58710372      17       0       0       0      63      1.09535657      0.51262465     -0.59716848
 Cl              0.58257298      0.15092599      4.01395996      0.05290588     -1.13116717      1.07913183      17       0       0       0      66     -0.04283457     -1.23958959      0.95741465
 Cl              8.66630995      1.90964996      4.47533005     -0.08811333      0.45791191     -2.41857033      17      -1       0       0      67     -0.16822751      0.41776674     -2.34829949
 Cl              9.87614999      7.71464000      7.42262003     -0.12868927      0.08447977     -0.86782238      17      -1      -1      -1      61     -0.12688427     -0.02552512     -0.89303716
 Cl              7.27037003      0.29406899      1.23424004     -1.71445732     -0.21244926      2.29956055      17      -1       0       0      65     -1.77701585     -0.19054498      2.45715765
 Cl              3.73108997      0.53492595      2.74403998      1.27276007     -0.69696185      0.13255313      17       0       0       0      67      1.47628442     -0.72838640      0.40520087
 Cl              1.93804996      6.29027004      6.58610005     -0.96610263     -0.94072788      0.93812212      17       0      -1      -1      73     -0.95297802     -1.08659763      0.84175058
 Cl              2.43158000      8.41823004      3.41387001     -0.27928513     -0.22835208     -1.04306304      17       0      -1       0      64     -0.26713925     -0.21695128     -0.97599626
 Cl              1.56797005     10.16780002      0.43491902     -0.45563009      0.35856160      1.06905992      17       0      -1       0      64     -0.32927788      0.38143546      1.00981327
 Cl             11.28740001      9.77624005      9.59002999     -0.55426897      1.87340350     -1.16102260      17      -1      -1      -1      65     -0.61036513      1.98219826     -1.39504679
 Cl              8.40633000      5.56540998      9.82114999      0.18412550     -0.03667343      0.25148703      17      -1       0      -1      63      0.10133472     -0.03766600      0.25781106
 Cl              6.40871004      3.92154995      7.45928004     -0.39580599     -0.52223502     -0.43448656      17      -1       0      -1      65     -0.30624094     -0.43491874     -0.48059339
 Cl             11.35330001      7.14952001     11.15429994      0.62985889     -0.80683413      0.41417240      17      -1      -1      -1      61      0.62218545     -1.15364464      0.62173598
 Cl              0.49888202      2.02230004      1.51423995     -0.32618865     -2.04780562     -0.85940164      17       0       0       0      64     -0.40868289     -1.78190517     -1.03127083
 Cl              8.43956002      9.03708999     10.86139997      0.56822741     -1.53165345     -0.68388291      17      -1      -1      -1      62      0.39640266     -1.58325791     -0.68957205
 Cl             11.13849999      3.33509997      5.88612997      1.38563599      0.27774688      0.79704987      17      -1       0      -1      58      1.36386200      0.26488530      0.78099770
 Cl              7.60641995      5.22318001      4.72528999      0.49044207      1.05090420      0.71811220      17      -1       0       0      64      0.48493526      0.94107493      0.82618123
 Cl              6.20073000     11.28819998      5.74676996     -0.71971079     -0.16910135     -0.41324052      17      -1      -1      -1      69     -0.75626961     -0.12387894     -0.34193518
 Cl              4.59454996      9.79825995     11.05729998      0.30892528      1.36849084      1.80393204      17       0      -1      -1      64      0.27462749      1.25662080      1.73421161
 Cl              1.07322996      3.30448003      9.30785004     -1.55131712     -1.99321533     -0.32374615      17       0       0      -1      62     -1.44173455     -1.93150729     -0.25145448
 Cl              9.73356003      0.26045297      6.76962002      1.25970712      1.06733648     -1.84207431      17      -1       0      -1      71      1.45752970      1.03926584     -1.62415998
 Cl              3.61343000      3.99830995      1.31369002     -3.45869235      0.51519775     -1.28612211      17       0       0       0      65     -3.45007555      0.54229127     -1.39750670
 72
 energy=-248.54861466049059 stress="-0.00658995       0.00021682      -0.00074758       0.00021682      -0.00492202       0.00008055      -0.00074758       0.00008055      -0.00091744" free_energy=-248.76673409 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="13.09560756       0.00000000       0.00000000       0.00000000      13.09560756       0.00000000       0.00000000       0.00000000      13.09560756" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.31960197      8.26024999      1.77254994      0.24101155      0.97087884     -0.38032549       3       0      -1       0      53      0.12238511      1.04961004     -0.12131169
 Li             11.74310002     10.94029999      4.67329000      2.21880275      0.79080844     -0.39757707       3      -1      -1       0      48      2.20619562      0.88813553     -0.35472209
 Li              5.35194001      6.08036995     11.54140003     -1.02587598      0.21677690      0.76413187       3       0       0      -1      49     -1.00909922      0.42605620      0.65698542
 Li              1.34296006     12.96775750      3.03195006      0.58906302      1.87218352     -0.32750352       3       0      -1       0      48      0.60070139      1.68628138     -0.36312487
 Li              8.89247999      6.32310005     11.13469996      0.55691188      0.06175679      0.28009431       3      -1       0      -1      52      0.52489544      0.06055837      0.32738275
 Li             10.69740004      6.20962006      1.61819005     -2.60368413     -0.43031280     -1.55463882       3      -1       0       0      50     -2.49441054     -0.55721646     -1.60705915
 Li              3.61879999      3.79282005      8.51965001     -0.26678290      0.24059792      0.10697556       3       0       0      -1      45     -0.13457303      0.03748835      0.27649774
 Li              2.10853006      3.34822994      4.51522995      0.08232813      0.47337968      0.95505306       3       0       0       0      44      0.13287278      0.74108997      0.97674640
 Li             11.66659993      5.97264993      7.81851995     -0.27921855      0.83996313     -0.39477164       3      -1       0      -1      52     -0.49577558      1.06141935     -0.33867301
 Li              0.08639749      9.72278001      9.42619004      0.15711436      0.30634869      0.08845343       3       0      -1      -1      51     -0.03767741      0.38199977      0.12231363
 Li              4.88503995     11.47620001      6.06282000      0.51923539      0.38399531      0.02525902       3       0      -1       0      49      0.79585462      0.49050017     -0.05158306
 Li             11.60929997      1.70417004      7.77911998      0.47555266      0.56279174     -0.17237767       3      -1       0      -1      44      0.19077114      0.35202672     -0.18917344
 Li              5.79564001      5.18543001      4.13470996      0.19487337     -0.10822714      0.60971900       3       0       0       0      54      0.06410535     -0.20444467      0.83085354
 Li              7.02054002      5.61834997      8.10281001      0.13081733     -0.16711469     -0.44823967       3      -1       0      -1      51      0.14211776     -0.28726226     -0.50355502
 Li              8.14840001      1.60434995      6.13599001     -3.36398470      2.02786234     -0.50747820       3      -1       0       0      49     -3.17948503      1.97922270     -0.55830121
 Li              7.53277000     11.63930004      1.64840999     -0.50242707      0.01011052      0.15172889       3      -1      -1       0      52     -0.59176890      0.08094142      0.03150391
 Li              2.19156996      3.47998000     12.36349998      0.68817839     -0.62473506      0.09671775       3       0       0      -1      43      0.83356314     -0.65874538      0.04541558
 Li              3.96993003      9.97533993      1.95747000      0.34094493     -0.01604993     -0.11487210       3       0      -1       0      50      0.23945407      0.19040563      0.01639086
 Li              2.38636005      8.21233997      6.25041000     -0.73844576     -0.42245532      0.00073032       3       0      -1       0      51     -0.62590437     -0.61899931     -0.15271883
 Li              8.87294003     11.49509999      6.57078002     -0.16488998     -0.14550352     -0.06798180       3      -1      -1      -1      47     -0.28423150      0.00249596     -0.16911386
 Li              3.59506001     12.50439994     12.77599996     -0.35756512      0.14982196     -0.27884728       3       0      -1      -1      43     -0.28996766      0.15105602     -0.20753132
 Li             12.47710005      5.81589996      4.49702993      1.22175597     -0.35201824     -0.38619748       3      -1       0       0      54      1.19774211     -0.22559377     -0.38777863
 Li             12.83529360      0.64051599     11.16969994      0.90832152      0.07947039      0.09800827       3      -1       0      -1      42      0.71577348      0.20705354      0.15898637
 Li              7.19817997      7.47140005      1.43799003     -0.15764352     -0.63756311     -0.43499414       3      -1      -1       0      55     -0.06955365     -0.54910626     -0.51596856
 Li              8.32851005      1.06611996     12.18489999      0.34729798     -0.19328230     -0.71089668       3      -1       0      -1      49      0.46435520     -0.06156091     -0.71023341
 Li              1.48153005      6.27760001     10.92569996      0.28149899     -1.14844964     -0.05744569       3       0       0      -1      50      0.38083464     -0.96534870     -0.09263481
 Li              9.66050005      2.86235998      1.54364998     -0.24618549      0.60213905     -0.43339672       3      -1       0       0      52     -0.41241530      0.68580728     -0.28542826
 Li             11.24349997      9.23678001     12.10790004      0.77992445      0.18971499     -0.79484998       3      -1      -1      -1      56      0.59818677      0.12364021     -0.79879641
 Li              6.51686004     10.30209996     10.26269999     -1.02677256     -0.44559604      0.02343053       3       0      -1      -1      46     -0.77648431     -0.44623857      0.01040726
 Li              3.33743994      6.43193005      2.35096996     -0.17000872     -0.53840455      0.03586070       3       0       0       0      50     -0.26813125     -0.59740173      0.02313110
 Li              9.39870000      7.93348996      5.58531002     -0.15927551     -0.29768418      0.12569771       3      -1      -1       0      56     -0.00570442     -0.25180306      0.21132729
 Li              9.45060994      9.38256005      9.23329003     -0.12116423      0.80815521     -1.52817006       3      -1      -1      -1      50     -0.32381882      1.12337229     -1.24571812
 Li              5.76856000      1.21405004      3.77219997     -0.18825280     -0.28194698      0.03449220       3       0       0       0      42      0.12236664     -0.44672229      0.08083588
 Li              5.80311996      8.23808999      5.07510999      0.23388126      1.17285440     -0.35126269       3       0      -1       0      53      0.18507211      1.16059158     -0.30360286
 Li              9.41834996     12.64760002      9.54615994      1.49848920      1.41552523     -0.86227773       3      -1      -1      -1      43      1.24639355      1.60578308     -0.95259918
 Li             11.51990006      3.93984994     11.00569998      0.15319563     -0.19528785      0.73343083       3      -1       0      -1      48      0.15256105     -0.27407752      0.83397703
 Cl              2.62032997      1.28700999     12.29500000      1.04983158      1.90221474      0.45592190      17       0       0      -1      44      1.19491583      2.23787169      0.67466341
 Cl              8.36440996      5.61504006      1.97133995     -0.28752395      0.03209525      0.78511386      17      -1       0       0      53     -0.40735381     -0.02184573      0.81107585
 Cl              9.43338005      8.59918998     11.09460003     -0.56091877     -1.17063999      0.73909992      17      -1      -1      -1      48     -0.31968114     -1.15241488      0.36388154
 Cl              9.73833995      0.80260897      6.60141995      3.54523749     -1.72352504      1.23779298      17      -1       0      -1      47      3.60090901     -1.64747884      1.11658288
 Cl              3.82177994      9.67451995      5.82552995      0.41455733      1.14554011     -0.43251903      17       0      -1       0      55      0.23399985      1.06301839     -0.23876532
 Cl              1.89110002      5.67091993      4.33344995      0.08001518     -0.09549603      0.10527792      17       0       0       0      50     -0.07721408     -0.09193526      0.14517345
 Cl              7.07562002      3.68623006      6.71856003      0.13928880     -0.13549567      0.37988354      17      -1       0      -1      50      0.16451679     -0.11921154      0.53324559
 Cl              4.86157996      6.84037000      0.56990198      0.44974893     -0.16648953      0.10599234      17       0      -1       0      51      0.69884615     -0.16201049      0.15387638
 Cl             11.06810002      1.45736996     10.99510000     -2.37854772      0.82055501     -0.29160038      17      -1       0      -1      47     -2.24848309      0.54957445     -0.10172092
 Cl              1.76802999      2.09875000      2.91176002     -0.29494806     -0.93559167     -0.86611824      17       0       0       0      50     -0.40700101     -1.05786976     -0.89483192
 Cl              0.67823697      8.06269004     11.18719999     -1.13633038      1.97884885     -0.07274906      17       0      -1      -1      50     -1.17978327      1.69562705     -0.20599822
 Cl              4.80989997     10.83340002     12.16580004      0.56239287     -0.56829593     -0.12899940      17       0      -1      -1      50      0.48100315     -0.43930631     -0.25089409
 Cl              8.80541004      6.75881998      7.44089004     -0.82460781      0.57207069      1.00241071      17      -1      -1      -1      52     -0.71718739      0.46121487      1.06735851
 Cl              4.78375996      6.86473005      6.14254004     -0.05784001     -2.01178595      0.50431853      17       0      -1       0      51     -0.09596954     -2.01662586      0.24403679
 Cl              7.00588997      5.56921002     10.44920004      0.43474217     -0.42617336     -0.62642450      17      -1       0      -1      51      0.54389731     -0.43405929     -0.69501275
 Cl              2.49855994      8.35286003      2.48170000     -0.24792388      1.00877861     -0.08299614      17       0      -1       0      47     -0.20699055      1.12321385     -0.33943603
 Cl              6.76136996     12.92159051      5.67679004     -0.42653931     -0.09520235     -0.36054258      17      -1      -1       0      45     -0.35579733     -0.22209444     -0.23671425
 Cl              7.93530999      1.40092999      1.15184001      0.05291760     -0.41120386      0.57027398      17      -1       0       0      53      0.18096734     -0.25920583      0.63552770
 Cl             11.11079996      6.55767001      5.82889997      0.73823143     -0.07264631     -0.54150250      17      -1      -1       0      49      0.75252850     -0.24069486     -0.31791085
 Cl              3.40382001      5.21984003     10.64570002      0.57344160     -0.63769550     -0.81686113      17       0       0      -1      52      0.44607384     -0.67424705     -0.68817783
 Cl             11.05570006     11.38239998      9.29708005      0.69992279     -0.87048575     -0.36235073      17      -1      -1      -1      47      1.00147320     -1.04990525     -0.33895937
 Cl              6.89411005      8.67185999      3.12812997     -0.13853315      0.58903191      0.70068974      17      -1      -1       0      51     -0.37362302      0.51951801      0.73774350
 Cl             10.16939994      9.92384997      5.12758999     -2.05854700     -0.19731040      0.51493803      17      -1      -1       0      51     -1.94856994     -0.11891455      0.46232838
 Cl              0.50909698      4.66792002     12.11490003     -1.10593701      0.08454813      0.13886786      17       0       0      -1      47     -1.09026264      0.10103696      0.21962332
 Cl              8.02455996     11.66409998     10.40480004     -0.86315833      1.15685162      2.77254188      17      -1      -1      -1      50     -1.00403714      0.90447708      2.94746044
 Cl              0.15352099      9.49242998      7.20158994      0.48244024     -0.51709513     -0.06598740      17       0      -1      -1      49      0.67226332     -0.55227122     -0.05102198
 Cl             11.75330006      4.24690003      8.87250002     -0.12992855     -0.89624006      0.34467203      17      -1       0      -1      50     -0.10113936     -0.80651032      0.23956063
 Cl              0.59609241     11.20739997      3.45474005     -0.84653009     -1.40286015      0.33617549      17       0      -1       0      49     -0.99343325     -1.28501179      0.37707250
 Cl              1.04813995     12.31070006     11.42359994      0.05880693     -2.88236316     -0.34342664      17       0      -1      -1      44     -0.00389294     -2.97508421     -0.46151797
 Cl             10.02180001      4.41894004     12.88200000      0.48218305     -0.15950381     -0.71284525      17      -1       0      -1      51      0.52583231     -0.14006847     -1.01717865
 Cl             12.30050002      6.69269005      2.49790006      1.74911059     -0.57735138      1.39330361      17      -1      -1       0      51      1.80409108     -0.70560618      1.22938913
 Cl              5.36455003     11.90230005      2.45779004     -0.01875780      0.28235646      0.02627514      17       0      -1       0      45     -0.25252045      0.21419013      0.06316154
 Cl              7.41520994     10.22389993      8.03530006     -0.11033747     -0.68621248     -1.07759624      17      -1      -1      -1      48     -0.03856049     -0.79786273     -1.19344699
 Cl              4.87343999      3.18314003      4.41850003     -0.26161184     -0.13165055     -0.48711122      17       0       0       0      46     -0.37172867     -0.07772457     -0.72328408
 Cl             10.82969999      8.98797002      0.96778805     -0.15987434      0.15944289      1.12853763      17      -1      -1       0      55     -0.09310597      0.04443594      0.88284895
 Cl              0.78653398      2.72586001      6.64771999      0.14850513     -0.13152390      0.10186432      17       0       0      -1      48      0.06781640     -0.20723370      0.15713378
 72
 energy=-248.29792963043846 stress="-0.00397495       0.00163910       0.00068284       0.00163910      -0.00799694      -0.00498440       0.00068284      -0.00498440      -0.00465178" free_energy=-248.03154777 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="13.04106286       0.00000000       0.00000000       0.00000000      13.04106286       0.00000000       0.00000000       0.00000000      13.04106286" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.29916004      5.77868001      5.31187999     -1.12650725     -0.31979983     -0.39526981       3       0       0       0      54     -1.14723193     -0.13499376     -0.43285121
 Li              5.96583999      9.22135002      5.13995000      0.32518011     -0.33748662      0.30179048       3       0      -1       0      53      0.45944822     -0.49945915      0.27330974
 Li              1.33691004     12.11059998      7.83710002     -1.52597721      0.51115234      1.68037536       3       0      -1      -1      52     -1.81239219      0.43768207      1.54557071
 Li             10.01529997      9.27294999     12.30310002      0.45553656      0.81468294      0.79177954       3      -1      -1      -1      52      0.41073488      0.74871135      0.88419774
 Li              3.54395995      9.26544003      8.07914006      1.38128459      6.40629045      1.31693619       3       0      -1      -1      52      1.03306460      5.88891122      1.22326966
 Li             11.70229995      9.33269997      9.46943003      0.02266194      0.18856683      0.14845082       3      -1      -1      -1      52      0.10207006      0.16244054     -0.03720755
 Li              3.33407005      2.29557004      5.98930999     -1.03952459     -0.09130612      0.11842169       3       0       0       0      49     -1.15213270     -0.10503116      0.20221839
 Li              3.28532999     11.30120002     11.28230000     -0.49442876      0.18900700     -0.65623814       3       0      -1      -1      55     -0.35993354      0.14858496     -0.73397572
 Li              8.40884003      6.28032001      8.90246995     -0.86829128      0.44738695      0.51974897       3      -1       0      -1      48     -0.90416102      0.21704406      0.64071690
 Li              9.22274998      1.21443998      3.99881006     -0.58774832     -0.68799646     -0.07636647       3      -1       0       0      50     -0.47653155     -0.72576549     -0.20013594
 Li              4.79640003      5.77603997      9.28079001     -1.16621362      0.14816537     -0.00345090       3       0       0      -1      46     -1.05978484     -0.13076392      0.22536089
 Li              4.46312002      9.25184003      2.25133997      0.21772580     -2.72685025     -5.32610123       3       0      -1       0      51      0.52573835     -2.60032475     -4.68777545
 Li              6.06584995      8.93723000     10.98770004     -0.13964017     -0.02305339      0.17601209       3       0      -1      -1      52     -0.03964556     -0.03225518      0.26290174
 Li             11.62509999      5.15795006      4.08595005     -0.32640922     -0.33687715     -2.14869839       3      -1       0       0      43     -0.10965055     -0.33652768     -2.14918464
 Li              5.49473994      4.88486994     12.24219995      0.43960882      0.75865213     -0.02477701       3       0       0      -1      45      0.56299137      0.77051267     -0.12762979
 Li              6.82724001      2.20212000      7.75971996     -1.04109745      1.88719258     -1.47933592       3      -1       0      -1      51     -0.81301094      1.74204859     -1.28473495
 Li             10.37680006      7.30740999      6.77216004     -0.51073673     -0.98939184     -0.58422985       3      -1      -1      -1      48     -0.50770334     -1.05876906     -0.32567718
 Li              2.53102995      8.15224995     12.38680004     -2.97408086      1.16546666     -0.43067838       3       0      -1      -1      49     -3.31934606      1.28837296     -0.34825282
 Li             11.60399994      1.40797001      1.48723006     -0.16838552      0.04687731      0.25973230       3      -1       0       0      44     -0.32301139      0.25976979      0.16584579
 Li             12.93569994     10.97129999     12.41529998      0.05026678     -0.18357610      0.22140247       3      -1      -1      -1      46     -0.02374203     -0.26504041      0.21232929
 Li              9.10510003      4.38851001      0.41871906      0.04344928     -0.51980783      0.23195167       3      -1       0       0      46      0.04389796     -0.42255812      0.06343574
 Li              2.06927996      0.00113718      1.86966002     -1.05001680     -0.65354235     -0.51520981       3       0       0       0      50     -0.97704005     -0.66329873     -0.46434456
 Li              6.25955994     12.02880004      7.95317004     -0.91466803      0.61751379      1.18623910       3       0      -1      -1      53     -0.68038434      0.71365392      1.22818809
 Li              3.78887998      1.83536006     10.23589998      1.16415959      1.00376947      0.00671464       3       0       0      -1      45      1.35547478      1.12236203     -0.07386477
 Li              9.04090997      0.58495700     10.41829998      0.49041053     -0.21025348      0.51658173       3      -1       0      -1      48      0.44701735     -0.07723088      0.24969463
 Li              7.70904995      6.94939004      1.14198996      0.12897885      0.46404341     -0.36922208       3      -1      -1       0      45      0.00051079      0.40679271     -0.50544849
 Li             11.69919996      7.70599000      2.08017003      0.33905375      0.65353965     -0.61999935       3      -1      -1       0      50      0.38325823      0.42835943     -0.44827998
 Li              0.72952306      9.69038998      4.36646996      0.78863664      5.19293144      2.22167650       3       0      -1       0      52      0.79810496      4.95892401      1.99446462
 Li              8.91978001     11.42040003      5.41692001      0.12746236      0.26893876     -0.18290718       3      -1      -1       0      52     -0.12884802      0.23050342     -0.34855234
 Li              5.87123999      1.43364994      1.96981994      0.55652790     -0.04140827      0.10664792       3       0       0       0      50      0.44083282     -0.10475189      0.04972124
 Li             12.86750001      3.30383004      6.30245995      0.40226047     -0.65726016     -0.07681468       3      -1       0       0      46      0.50394030     -0.64705399     -0.09926570
 Li              2.26692000      6.25545996      5.96275996      0.29436850      0.35285380      0.16633300       3       0       0       0      47      0.44246602      0.25325012      0.06286297
 Li              4.38344995     12.38389997      4.15758995      0.12930825     -0.61916115      0.57767939       3       0      -1       0      50     -0.00822044     -0.49039078      0.42414175
 Li              8.42930003     11.02549996      1.64969002     -0.47970678     -0.03178512     -0.30386993       3      -1      -1       0      55     -0.51425230     -0.16798588     -0.26426133
 Li             12.41409994     12.71009999      4.98934998     -1.18244334      0.91148456      1.26741199       3      -1      -1       0      50     -1.27173148      0.93222223      1.38192379
 Li             12.99410004      1.18788003     11.08939999      0.15833908     -0.26049936      0.62228000       3      -1       0      -1      48      0.02647557     -0.31231032      0.58022116
 Cl              0.85917900     12.14199999      3.97860997      2.16163009     -1.38553164     -2.05722090      17       0      -1       0      52      1.99235216     -1.47171798     -2.04837471
 Cl              4.51756997     10.02130004      3.80989996     -0.78973209      4.74433264      4.59534866      17       0      -1       0      53     -0.80367130      4.68354980      3.89389389
 Cl             10.92209998      1.53655997     12.42819994     -1.86026471      1.03649777     -1.75336670      17      -1       0      -1      47     -2.08793043      1.23109689     -1.57117429
 Cl              2.98290996      7.67638000      7.76381994     -1.62010586     -6.89618859     -1.74169902      17       0      -1      -1      49     -1.23062148     -6.38358220     -1.47068217
 Cl              4.98892002      7.31263998      4.13464994      0.46087738     -1.81850763      0.30579212      17       0      -1       0      58      0.51767032     -1.88102012      0.24699268
 Cl             10.84640000     11.14109998     11.06619994      0.33006147      0.25913877     -0.41126212      17      -1      -1      -1      52      0.51836900      0.10120052     -0.46704289
 Cl             11.22889998      9.10723994      7.06504001      0.42148719      0.91852181      0.33358934      17      -1      -1      -1      48      0.50866066      1.28770079      0.38905434
 Cl              7.61181996     12.12979994      3.21127996     -0.08313419      1.04473839      1.17253367      17      -1      -1       0      52      0.01976114      1.31006502      1.21865735
 Cl              5.72097004      4.27246998      8.21425003      0.87523681     -0.81310819     -1.05307398      17       0       0      -1      47      0.59519185     -0.70297186     -1.06172766
 Cl              7.79114005      5.56755993     12.10670005      1.11130471     -1.39915880      2.31976376      17      -1       0      -1      45      1.15133781     -1.63305992      2.30603933
 Cl              3.79885000      0.85692694      2.72821004      0.70488349      0.81124392     -0.03318645      17       0       0       0      52      0.72861036      0.68865470     -0.05919881
 Cl             11.54360000      5.13199000      6.03764004     -0.22638498      0.34868929      2.01318432      17      -1       0       0      45     -0.18267966      0.50124831      1.93803867
 Cl             10.55609994      0.02303717      5.83841003     -1.98974317     -0.28074315      0.08450326      17      -1       0       0      52     -2.17148844     -0.30600273      0.02780974
 Cl              4.20160002      7.33167002     12.70440000      2.15707078     -0.80339352      0.91672024      17       0      -1      -1      47      2.11446810     -0.57618151      0.91675943
 Cl              7.26436001      0.78634805      9.01323005      0.79854371     -1.31132120      1.48147371      17      -1       0      -1      54      0.77925150     -1.32083727      1.34811954
 Cl             10.00429997      6.14117004      1.80199998      0.12068256     -0.00414125      0.46715141      17      -1       0       0      45      0.00025721      0.04041461      0.52405781
 Cl              7.02556002     10.87459999      6.51240998      0.44644574     -1.11162564     -0.95295093      17      -1      -1       0      55      0.56579055     -1.06963648     -1.00051152
 Cl              2.45681001     11.36679996      0.22173719      0.43521778     -0.86477869      0.30859929      17       0      -1       0      47      0.28173245     -0.86349602      0.13282550
 Cl             10.32280002     10.32750002      1.37643006      1.37418142     -0.71108110     -0.01042352      17      -1      -1       0      52      1.41970855     -0.58459741      0.22121202
 Cl              2.05172003      4.00959997      5.59799999     -0.53021912      0.40349557     -0.01975847      17       0       0       0      46     -0.46852667      0.55154100      0.02741262
 Cl              8.00757996      2.36604003      1.59248005     -0.56093890      0.15935103      0.00701419      17      -1       0       0      54     -0.40235932      0.19340302      0.16410491
 Cl              0.10273606      8.24957006     12.73171985     -0.02641778      0.27003762      0.21613180      17       0      -1      -1      49      0.31495670      0.64943989      0.09228564
 Cl             10.83660003      2.48574995      3.58311001      1.18729367      0.82696456     -0.47102952      17      -1       0       0      44      1.10422334      0.66835391     -0.50894403
 Cl              7.81621006      6.71791000      6.27308000      1.68252761      0.61978277      1.15413109      17      -1      -1       0      51      1.41364737      0.37267696      1.11858363
 Cl              1.53760000      9.86761998      9.47112002     -0.59547793      0.40314974      1.02127156      17       0      -1      -1      53     -0.55750196      0.39869993      1.30071357
 Cl              9.57719994      8.00807005     10.75259994     -0.14365544     -0.88329700     -1.52384650      17      -1      -1      -1      49      0.05658764     -0.44760281     -1.30306505
 Cl              0.52213716      8.11598002      3.62394001     -0.96343930     -5.16498527     -2.16872530      17       0      -1       0      50     -1.19209132     -4.77667063     -2.08164655
 Cl              0.15931002      0.34915294      0.34477401      1.34523100     -0.43065086      0.72707004      17       0       0       0      47      1.46182941     -0.72128161      0.63035186
 Cl              4.05530994      3.87892004     11.06230001     -0.44880583     -0.27615038     -0.00232749      17       0       0      -1      46     -0.42975794     -0.39790861     -0.15995703
 Cl              2.82307999     11.31370001      6.98123997      2.81385054     -1.05220749     -1.88691828      17       0      -1      -1      52      2.83344267     -0.99951554     -1.96590780
 Cl              5.04172993     11.25089999      9.93184004      0.64728714     -0.70309992      0.03795308      17       0      -1      -1      57      0.52058996     -0.89357013      0.23973527
 Cl              6.97919004      9.46587999      1.13060003     -0.53218000     -1.01473585     -0.47902594      17      -1      -1       0      53     -0.53830656     -1.10764565     -0.50108082
 Cl              5.28984998      1.81258998      5.95240000      1.37939179     -0.75991593     -0.15773060      17       0       0       0      47      1.19755270     -0.79451579     -0.16787060
 Cl              2.22070000      0.63902095     10.23319996     -1.59851578     -0.96864490     -0.04728926      17       0       0      -1      48     -1.56312586     -1.03660794      0.05192346
 Cl              0.46053601      0.71635002      6.76576001     -0.05426730      1.47217478      0.21626305      17       0       0      -1      51      0.12995637      1.21058999      0.33163267
 Cl              6.22377996      6.72606002     10.42699994     -0.34926631      1.99668837     -1.85365633      17       0      -1      -1      48     -0.50515888      2.14415195     -1.89195243
 72
 energy=-248.46107930570318 stress="0.00178891      -0.00035950       0.00189683      -0.00035950      -0.01415166       0.00228865       0.00189683       0.00228865      -0.00833266" free_energy=-248.28638798 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.90098484       0.00000000       0.00000000       0.00000000      12.90098484       0.00000000       0.00000000       0.00000000      12.90098484" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li             11.98039998     11.85020001     12.04789999     -0.44467455      0.62282817     -0.26940596       3      -1      -1      -1      47     -0.47838084      0.80331577     -0.64107819
 Li              4.71419996     12.54959994      3.70761003     -0.45729102      1.25672638     -0.25799689       3       0      -1       0      48     -0.55167630      1.22138252     -0.12144584
 Li              0.59953702     10.92719995      2.68977006      0.02357029      0.02863907     -0.17372681       3       0      -1       0      50      0.04450176      0.06524635     -0.24107868
 Li              2.15083994      1.55947002      5.47084001      0.05887627     -0.98056756     -0.61719190       3       0       0       0      53      0.01308067     -0.74125015     -0.52746308
 Li              3.65197002      0.61465504     11.86580001     -0.56965380      0.85790482      0.50694971       3       0       0      -1      50     -0.35172346      0.73984482      0.44224915
 Li              6.47504996      7.09263997      6.28097000     -0.53517294     -1.90429318      0.51474880       3      -1      -1       0      46     -0.74581728     -1.82225652      0.40567012
 Li              7.90591006      6.99198997      9.64061002     -0.62334481      0.91824365      1.79536511       3      -1      -1      -1      55     -0.54274023      0.92120660      1.95398587
 Li              9.50451005     10.24909994      6.89010999     -0.97444557      0.19059224     -0.09777982       3      -1      -1      -1      52     -1.07681292      0.24233431     -0.01290341
 Li              7.74623999      5.23649001      0.45931996      0.32422203     -0.26851011      0.50330237       3      -1       0       0      50      0.05034380     -0.52605581      0.54243957
 Li              2.70397998      7.36188998      6.42629998      0.04558598      0.70692308      0.71370461       3       0      -1       0      52     -0.01817495      0.57828273      0.84726315
 Li             11.22900005      0.26524696      8.62597001     -1.12813195     -1.51728387     -0.77294757       3      -1       0      -1      57     -1.11719657     -1.41698011     -0.81765212
 Li              4.42394999      1.98667994      8.84524999      0.31570072      2.92771870     -0.77035233       3       0       0      -1      58      0.52135967      2.72760681     -0.65097591
 Li              0.09733664      2.63828004      2.22246001     -0.70325710      0.22738039     -2.67235528       3       0       0       0      49     -0.78129397      0.06076798     -2.62806885
 Li              0.47680905      6.98183999      0.67067098      1.18293392     -0.20226837     -0.18715766       3       0      -1       0      44      1.18123560     -0.27884632     -0.32393344
 Li              4.62277997      3.68554999      5.68807995      0.56519175      0.20816070     -0.27896902       3       0       0       0      52      0.45442230      0.18308779     -0.21339966
 Li             12.82659995     10.17539997      6.39908999      0.55545291      0.18637869     -0.42431548       3      -1      -1       0      56      0.32247047      0.31979878     -0.32033713
 Li             12.04789999      7.25297999      7.94662995     -0.01423061      2.41637883      0.05268064       3      -1      -1      -1      58     -0.12650767      2.52500334      0.03779339
 Li              7.77502002      0.79703497      6.37048000      0.31158198      2.36050328     -0.66134684       3      -1       0       0      53      0.32087901      2.18754149     -0.43638777
 Li             11.20170001      0.85555603      5.23117003      0.57352641     -0.13849970      0.45832107       3      -1       0       0      58      0.64187659     -0.20588720      0.57023946
 Li             12.66730001      9.18468999     10.25820003     -0.15856404     -0.60242874      0.08008545       3      -1      -1      -1      54     -0.21058367     -0.55967962      0.07260035
 Li              0.78088900      3.53901003      7.62638997     -0.71558754      0.37859009      0.43886745       3       0       0      -1      55     -0.63226551      0.42378459      0.61500333
 Li             11.30320006      2.54022004     11.01849997     -0.95167012     -0.08403193     -1.38717520       3      -1       0      -1      53     -0.84293605     -0.40749728     -1.52597668
 Li              4.98691994     10.31550002      6.57378997      0.62385768      2.17322937     -1.17459564       3       0      -1      -1      51      0.84755422      2.20831666     -1.19614102
 Li              1.63854996     12.61360005      8.80224997     -0.30051717      0.14671450      0.01840874       3       0      -1      -1      54     -0.35322356     -0.00137100      0.15651721
 Li             10.42470002      8.52171999      0.11325104     -0.10611645      0.16205033      0.23804483       3      -1      -1       0      50     -0.11142670      0.04787469     -0.03310524
 Li              7.45170999      3.91721995     10.33690004      0.16535873     -0.64479243     -0.77602854       3      -1       0      -1      54      0.18341130     -0.57085924     -0.95085220
 Li             10.54589999      8.31220000      3.68227998     -0.27471647      0.92182726     -1.84649540       3      -1      -1       0      52     -0.42308467      0.90087691     -1.94929040
 Li              9.62074005      1.58346998      0.64434898      0.00212814      0.08616968      0.20594473       3      -1       0       0      56      0.02337939      0.20734919      0.18297316
 Li              7.75087996      9.76494997      3.28398994     -1.19210681      0.56881648      1.24914407       3      -1      -1       0      49     -1.34978582      0.44559710      1.43092104
 Li              0.56747498      5.42043999      4.23156005      0.12962291      0.06369887     -0.26422303       3       0       0       0      54      0.04975913      0.05980521      0.02823903
 Li              3.00296998      8.41779998     10.57850001     -0.45246497     -0.41555953     -0.50571325       3       0      -1      -1      51     -0.26071779     -0.33033413     -0.36632443
 Li              7.80125998      0.12039405     10.64419995     -0.53345758      0.44528699     -0.86317668       3      -1       0      -1      52     -0.47017819      0.25611656     -0.80223493
 Li              1.17426996      4.05648001     11.84089995      0.76152118     -0.01045041      0.57269404       3       0       0      -1      56      0.79950496     -0.20043445      0.67895846
 Li             10.11870001      5.30229006      6.67901995      0.16427142      0.05801485     -0.43485734       3      -1       0      -1      58      0.45255889      0.17569188     -0.45224929
 Li              4.84538994      3.22154995      1.77668003     -0.22929248     -0.53512677      0.08271804       3       0       0       0      45      0.02456730     -0.51585460      0.20027987
 Li              7.62118003      2.92025003      3.31831004      1.13807021     -0.98150917      0.52037345       3      -1       0       0      52      1.11532602     -0.93199685      0.52313689
 Cl             12.50460002      1.22694997      9.67403002      2.01995773      2.56215547      1.15273536      17      -1       0      -1      56      1.95766462      2.56618158      1.19235134
 Cl             11.84060000      2.40564006      0.03528161      0.64148638      0.23506217      1.41147720      17      -1       0       0      51      0.68795309      0.61583574      1.43547977
 Cl              5.95973006     11.04930004      3.26372998      0.61123908     -0.71325917     -0.38604254      17       0      -1       0      47      0.73482175     -0.64244200     -0.58452410
 Cl              6.93291004      5.67888000     11.42929996     -0.27589522      0.77589704      0.04758563      17      -1       0      -1      50     -0.25628020      0.75678278      0.07283582
 Cl              1.38802999      7.32597996     11.59320001     -0.14043897      0.31188284      0.18321979      17       0      -1      -1      51     -0.39941676      0.38753425      0.19949724
 Cl              3.30189999      3.11847005     10.94520005     -0.46826055      0.03183035      0.14448739      17       0       0      -1      51     -0.59329166      0.18689213      0.29862070
 Cl              4.73807001      8.49412995      7.16964002     -1.48539791     -2.33029273      1.50768655      17       0      -1      -1      48     -1.66923086     -2.29116890      1.62700372
 Cl              3.67277995     12.62209999      5.59548997     -0.38914847     -0.09981365      0.83067471      17       0      -1       0      51     -0.42676430     -0.23677335      0.53607988
 Cl             12.20980000      5.36999004      7.95086006      0.43977249     -3.47752479     -0.22405401      17      -1       0      -1      56      0.33274085     -3.42437112     -0.37868140
 Cl              1.62734003      5.09461001      1.31349003     -0.21679922     -0.56935781      0.07775651      17       0       0       0      52     -0.10629129     -0.42115489     -0.13731713
 Cl              1.66993999      7.74368004      8.58156005     -0.17267990      0.58943623     -0.57864589      17       0      -1      -1      51     -0.25903474      0.47519709     -0.46974853
 Cl              2.69114995      5.71442996      5.13036006     -0.02769086     -0.07902145     -0.74481710      17       0       0       0      54     -0.00241313     -0.15327104     -0.82938928
 Cl              0.89704599      9.55161000      4.39058004     -0.21599905     -0.02193083      0.26540030      17       0      -1       0      54     -0.29310348      0.03182208      0.35752195
 Cl             10.08339995      8.24372002     10.83160004      0.23286437      0.21823054     -0.09455995      17      -1      -1      -1      52      0.32433756      0.27625263      0.09938582
 Cl              7.63715997      2.99874994      1.33032001      0.24688286      0.48709669     -2.45443863      17      -1       0       0      54      0.37533390      0.59756498     -2.44391830
 Cl             10.12760001      1.12333997      7.10089996     -1.60625798      1.69963557     -0.57704324      17      -1       0      -1      57     -1.75426415      1.87646246     -0.65981638
 Cl              2.65953996      3.14406999      6.74156999      0.71901857     -0.39897386      1.09533532      17       0       0      -1      53      0.78940467     -0.48853485      1.03654494
 Cl              5.71341000      2.17344001      3.65043996     -2.25376580     -1.70624861      0.37220882      17       0       0       0      50     -2.25063280     -1.62654382      0.51626036
 Cl             12.62040003     10.52759995      0.65404097      0.04866705     -0.36890665      0.51405240      17      -1      -1       0      51      0.14486160     -0.57047779      0.57592188
 Cl              7.85195001     11.92730004      7.05937001     -0.46643999     -2.77133788      1.07957420      17      -1      -1      -1      53     -0.22486145     -2.79142814      0.92887946
 Cl              2.70516997      1.12021999      1.29773006      0.56700133     -0.13311829     -0.48309054      17       0       0       0      51      0.57465079     -0.32538586     -0.52257863
 Cl              8.99367001      6.09312998      8.33531998      0.46387183     -0.75993401     -1.40731392      17      -1       0      -1      57      0.43637467     -0.90204513     -1.62835776
 Cl             11.53839998      7.11733994      1.45901998     -1.04453003     -0.07635724      0.65132995      17      -1      -1       0      50     -0.85526365      0.09571513      0.59855453
 Cl             12.48919998     12.35750002      6.88800004      1.41829633     -0.38893713     -0.60188165      17      -1      -1      -1      55      1.52596539     -0.27953789     -0.72118183
 Cl             10.88909999      6.79407003      4.85379003      0.58519672     -1.80705931      1.56648335      17      -1      -1       0      53      0.57077931     -1.85025575      1.58595987
 Cl              0.70700106      2.35141000      3.99706995      0.77069195      0.08143151      2.73003890      17       0       0       0      53      0.75416193      0.08564821      2.61073384
 Cl             10.64709996      1.27057994      3.27971004     -0.79044148      0.04273923     -1.09711810      17      -1       0       0      58     -0.95004949     -0.22223549     -1.09090534
 Cl              0.26870803     11.35219994     10.16700001      0.49023688     -0.98070604      0.12035256      17       0      -1      -1      49      0.41236022     -1.05209031      0.19698009
 Cl              8.74041994      8.81103000      1.86379006      0.96006758     -0.63493771     -0.77684854      17      -1      -1       0      47      1.28463402     -0.49725488     -0.62047070
 Cl              4.18511999      0.26270404      9.66256995     -0.36782768     -2.95655634      0.74029789      17       0       0      -1      51     -0.70067712     -2.69222464      0.69489287
 Cl             11.27970001      9.34812006      7.65719004     -0.06432695     -0.36386222      0.39230244      17      -1      -1      -1      54      0.05344050     -0.35888085      0.37729698
 Cl              7.11678997      8.79959005      5.66402994      2.43925746      2.15267813     -1.49407751      17      -1      -1       0      46      2.46089098      2.15730947     -1.75948357
 Cl              6.19683003      3.67548000      8.34470997     -0.42615742     -0.55499934     -0.26852316      17       0       0      -1      55     -0.49913938     -0.70510513     -0.31669365
 Cl              8.93791002      2.15472997     10.68879995     -0.58441811      2.73453546     -1.43729610      17      -1       0      -1      49     -0.47071541      2.90135759     -1.48546992
 Cl              9.28652005     12.83829999     11.97019994      1.62463419     -3.16566992      2.28090458      17      -1      -1      -1      51      1.49111548     -3.18505782      2.28747559
 Cl              7.19168999      4.44030005      4.46621994      0.14055621      2.80873909      1.94630456      17      -1       0       0      53      0.19823359      2.91415471      1.94288806
 72
 energy=-252.28095205531176 stress="-0.00045259      -0.00277630      -0.00166232      -0.00277630      -0.00010261      -0.00141830      -0.00166232      -0.00141830      -0.00088684" free_energy=-252.37077874 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.76697603       0.00000000       0.00000000       0.00000000      12.76697603       0.00000000       0.00000000       0.00000000      12.76697603" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              4.54841995      6.56996004     10.09240001      0.45174421      0.04315678     -0.09229334       3       0      -1      -1      54      0.55275647     -0.13362349     -0.09192087
 Li              5.73305004      4.20189000      7.12869998     -0.42509979      0.34573924      2.11953586       3       0       0      -1      50     -0.56968548      0.19413790      1.97288975
 Li              5.71670001      0.34860100      8.56029994      0.45032290      0.15259524     -0.11720060       3       0       0      -1      56      0.28217692      0.04108943     -0.05321225
 Li              2.95532004      8.62642994      0.67019794      0.00997768      0.39184162      0.22451518       3       0      -1       0      58      0.10151425      0.46856189      0.22534665
 Li              1.01552996      0.52174099      1.04321004      0.26328461     -0.13165623     -0.39569182       3       0       0       0      55      0.20222724     -0.04091934     -0.49482448
 Li              7.60820002      4.03197994     10.07339994      0.07646453     -0.39722970      0.36664948       3      -1       0      -1      48      0.15507760     -0.27930509      0.21435139
 Li              5.73070002      3.01378002      3.36152998     -0.10790810     -0.32094040     -0.31425930       3       0       0       0      61     -0.29712188     -0.19624433     -0.59684494
 Li              7.54174000      7.26030005      7.28627000     -0.36897064      0.16137761     -0.22269984       3      -1      -1      -1      46     -0.35638806      0.06148767     -0.21381101
 Li             10.71799996      1.61361006     12.36520006      0.05656078     -0.27559866      0.38416769       3      -1       0      -1      51     -0.04851945     -0.13139869      0.36961207
 Li              8.38702003     10.97770004      9.96164996      0.85716718     -0.48756172      1.03564469       3      -1      -1      -1      54      0.89212759     -0.53581882      1.04159396
 Li              0.41215897     11.02750006     10.28449997     -0.36655169      0.11562636      0.27710034       3       0      -1      -1      49     -0.59217318     -0.11282355      0.38418093
 Li              9.04050000     10.59359995      0.79836599      0.26969268      0.18082519      0.18433435       3      -1      -1       0      50      0.28367290      0.11601660      0.13678973
 Li              8.26922004      0.61132303      1.86995996      0.92139607      0.29879642      0.46576446       3      -1       0       0      56      0.73346942      0.51811928      0.27405858
 Li              7.34051994      3.82164005      0.72380494      0.73868169      0.56074175     -0.35056515       3      -1       0       0      55      0.54613978      0.38076636     -0.43671506
 Li             12.50499998      9.82128995      2.93457996     -0.14408566     -0.46020023     -0.12335930       3      -1      -1       0      56     -0.24723350     -0.58400056     -0.16385718
 Li              1.84769997      2.35174005      3.39714001     -0.09560654      0.35891762     -0.01103663       3       0       0       0      55     -0.16688230      0.26285882     -0.12788067
 Li              2.58766994     11.40050003      3.65961002     -0.41640042      0.26439328      0.84398300       3       0      -1       0      52     -0.44403415      0.12802821      0.82542020
 Li              2.90824999      7.88338006      6.76437006      1.46472116      1.10423021     -0.24216034       3       0      -1      -1      52      1.63327411      1.02289485     -0.25563087
 Li              1.28939998      5.88060998      4.46042995     -0.08684181      1.36527153     -0.20432237       3       0       0       0      52     -0.04628935      1.47567834     -0.08515763
 Li             10.15409999      7.49001000      3.95332004     -0.17309285      0.36211073      0.48290488       3      -1      -1       0      51     -0.16746289      0.46715352      0.57066866
 Li              9.08464003      4.42724003      5.36529997     -0.21516241      0.49466510      0.15686818       3      -1       0       0      50     -0.20173847      0.44197402      0.10876403
 Li              2.09257006      3.21936000      7.37588000     -0.03559772     -0.05977956     -0.50653686       3       0       0      -1      51     -0.03255085     -0.14481123     -0.50743671
 Li             12.20529994     10.31299995      6.73668998      0.08857274     -0.56265339      0.21356503       3      -1      -1      -1      53      0.06510446     -0.53318036      0.14322755
 Li             10.08120005      1.97597003      9.02787001     -0.10911655      0.13359360     -0.33909584       3      -1       0      -1      50     -0.24685454      0.29375030     -0.15334509
 Li              2.13834005     12.06599998      6.94660996     -0.07658568      0.13373134     -0.45937697       3       0      -1      -1      52     -0.28635681      0.19540106     -0.59301081
 Li              0.96721500      3.58785999     12.43529995      0.04325346      0.07899572      0.27102301       3       0       0      -1      55      0.50053288     -0.00103036      0.22742088
 Li              3.20009999      1.39521995     10.41720005     -0.63905752      0.65215102      1.07456957       3       0       0      -1      53     -0.45414697      0.65323770      1.04882436
 Li             11.27910000      4.54873006      2.22398003      0.72341081     -1.70877956     -0.69943110       3      -1       0       0      51      0.72481059     -1.63027546     -0.59444406
 Li              4.87094006      0.45315998      1.35885999     -0.87412619     -0.22756205     -0.13141058       3       0       0       0      53     -0.75177968     -0.07757972     -0.00254720
 Li              4.50501006      7.64840004      3.63451001      1.79980921      0.61288563      0.27027993       3       0      -1       0      56      1.89142919      0.70719008      0.30975460
 Li             11.60660001      8.16353003     12.26190003     -0.39172234     -0.17236315     -0.29887117       3      -1      -1      -1      51     -0.69788219      0.00842973     -0.53671404
 Li              7.57771006     11.07700005      5.93704997      1.54792720      0.74698461      1.16760050       3      -1      -1       0      52      1.78272359      0.76002529      1.45469583
 Li              6.40353000      9.85105003      2.27610006     -0.49258236      1.12414501      0.77364945       3      -1      -1       0      56     -0.29504659      1.15060153      0.86778010
 Li             11.32469994      0.09682398      4.05217002      0.23183546     -0.49927856      0.06350315       3      -1       0       0      59     -0.00123946     -0.73154349      0.25180094
 Li             11.83259999      5.78628003      8.01965004      0.45745753      0.24263739     -0.35806743       3      -1       0      -1      54      0.25237418      0.22053913     -0.35720746
 Li              6.69821006      7.83869999     12.45659999      0.40244492     -0.55073401      0.42082625       3      -1      -1      -1      53      0.27614491     -0.51499363      0.45006621
 Cl              0.29464304      2.85211998      1.80565998     -0.38298629     -0.61403423      0.42022179      17       0       0       0      55     -0.23653111     -0.78705323      0.58618088
 Cl             11.66389998      5.14498001      0.35621804      0.43678986      1.20791085     -2.14225534      17      -1       0       0      51      0.56716342      1.23526811     -2.24702198
 Cl              1.26863998      6.86453005      7.16617999     -1.76104037     -1.21179135      0.30751518      17       0      -1      -1      51     -1.84885619     -1.27617614      0.15103373
 Cl              7.83215998      1.75037003      9.11757002     -1.95831733     -0.50806615     -1.64566837      17      -1       0      -1      48     -1.54677575     -0.56173383     -1.66806704
 Cl             11.53850006     12.10329997     11.62919998     -1.33599848      0.45764851      0.37355045      17      -1      -1      -1      52     -1.34742249      0.51627752      0.40489471
 Cl              6.55996005      1.96057995      1.35185998     -1.61001727      1.38457430      0.52367264      17      -1       0       0      56     -1.52300646      1.42759650      0.49939989
 Cl              2.20258003      3.52472998      9.48041003     -0.33598803      0.33771496      0.88199917      17       0       0      -1      47     -0.49555282      0.23385682      0.89433510
 Cl              2.35290006     10.01169995      5.79148002     -0.03818476      0.19035974      0.10007216      17       0      -1       0      51     -0.01221703      0.15115757      0.03861911
 Cl              5.30225996      7.32338998      7.47349004     -0.45970291      0.20828656      0.09531234      17       0      -1      -1      49     -0.48619952      0.09689570      0.12155383
 Cl              5.63809003      4.59249002      9.21458997     -0.22686531     -0.11284712      0.13160402      17       0       0      -1      46     -0.35782028      0.10823147      0.09918131
 Cl              7.58054995     11.53240000      8.17341001     -0.56509811     -0.23957315     -0.81835143      17      -1      -1      -1      52     -0.58639582     -0.14238973     -0.94187923
 Cl              1.65037997      4.05832995      5.20879000      0.25394671     -1.55187545      0.40022265      17       0       0       0      52      0.25019584     -1.44417717      0.51552850
 Cl              3.39644996      0.66542500      8.50003994      0.80281171     -0.73614831     -1.57868845      17       0       0      -1      55      0.64421311     -0.68417949     -1.46802333
 Cl              9.43269997      2.57245005      1.83543001      0.78161791     -0.11736619     -0.02653648      17      -1       0       0      50      0.71679558     -0.36812305     -0.17980064
 Cl              0.25532101     11.87820006      2.81777004      0.67210225      0.92219165     -0.17976876      17       0      -1       0      56      0.85370346      1.06086505     -0.43251014
 Cl              3.67128005     10.84960004      1.95738004      0.42511619     -0.49954859     -0.82932708      17       0      -1       0      54      0.36613462     -0.50586818     -0.86831831
 Cl             10.31870002      4.22910996      7.29870005      0.05234351     -0.14199050      0.44128209      17      -1       0      -1      52     -0.01240610     -0.02922763      0.56700205
 Cl              6.28542998     10.24979997      4.83430995     -1.66313438     -1.00682275     -1.62992164      17       0      -1       0      54     -1.70408641     -0.91457237     -1.69761898
 Cl              2.91982006      0.83859499      4.49927999      0.48823975     -0.31356787      0.24057154      17       0       0       0      57      0.73849517     -0.27064687      0.27636994
 Cl              9.46381998      2.73492999     10.98300000      1.37140097      1.14222880      1.54230564      17      -1       0      -1      53      1.29590966      1.13420849      1.57345964
 Cl              1.70692005     12.71769640     11.27020002      0.34008055     -0.28817053      0.02473914      17       0      -1      -1      56      0.30652469     -0.18927826     -0.04922201
 Cl             11.22019994      9.45843002      4.85096996      0.30978622     -1.00510853      0.05687065      17      -1      -1       0      50      0.35827846     -1.11131586      0.28749952
 Cl              9.81913999     11.33360005      2.95789003     -0.81163383      0.69354899     -0.77486234      17      -1      -1       0      59     -0.92510481      0.80339837     -0.83941533
 Cl              4.79602996      8.55689001     11.72109999     -0.76856575     -0.10459574     -0.45145680      17       0      -1      -1      52     -0.59640938     -0.20150005     -0.52575694
 Cl              8.39647998      7.00111997      5.31585003     -0.32340503      0.03255649      0.57153028      17      -1      -1       0      52      0.05680155      0.02233804      0.60769877
 Cl              2.67231001      7.13619994      3.05827000     -1.32202787     -0.41349776     -0.37017185      17       0      -1       0      52     -1.45711105     -0.46073862     -0.24295750
 Cl             10.29079996      5.27191005      3.72137001     -0.17929338      0.58469735      1.12200433      17      -1       0       0      56     -0.00914607      0.68134732      1.25683410
 Cl              9.23659998      9.01757000     11.82749997     -0.43902699      0.26425375      0.17104733      17      -1      -1      -1      56     -0.31416163      0.32456347      0.23604281
 Cl              6.75893005     11.98449994      1.46344003      0.29813562     -2.42762358     -0.66196767      17      -1      -1       0      55      0.44569748     -2.34966140     -0.72201974
 Cl              0.49052599      8.87195000      0.69990095      0.21124968      0.08616980      0.27502120      17       0      -1       0      57      0.16418352     -0.14921687      0.33052901
 Cl              6.51169999      5.41604002     12.13699994      0.39622443      0.03797341      0.11146220      17      -1       0      -1      51      0.38126322      0.08972193      0.28325114
 Cl             12.39059996     12.49240000      6.45595005      0.04007789      0.51850155      0.04794509      17      -1      -1      -1      53      0.19143707      0.45400146     -0.03553277
 Cl              2.99827006      2.00134006      0.61782602      0.66210374     -0.04187782      0.07061292      17       0       0       0      58      0.31449518     -0.15500938      0.29999202
 Cl              6.48014998      7.79253001      2.11979002     -0.03050405     -0.77075824     -0.12980714      17      -1      -1       0      48     -0.11572714     -0.72706111     -0.19681238
 Cl             11.96610005      9.29394005      9.12806996      0.20065686      0.24861554     -0.11119013      17      -1      -1      -1      52      0.28516623      0.29415508     -0.26444116
 Cl              5.99131996      4.03770005      5.25944004      0.63288974     -0.28304420     -2.48969570      17       0       0       0      54      0.66630151     -0.22634726     -2.26269469
 72
 energy=-250.16084160494827 stress="-0.00858554      -0.00228861      -0.00196891      -0.00228861      -0.00782910       0.00143049      -0.00196891       0.00143049      -0.01238971" free_energy=-250.16377005 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.56971753       0.00000000       0.00000000       0.00000000      12.56971753       0.00000000       0.00000000       0.00000000      12.56971753" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.59667003      1.37956006      4.17401001      0.35490223     -0.34544655      0.21020059       3      -1       0       0      52      0.48832491     -0.27847877      0.18380735
 Li              9.18382001      6.33498001      5.15930995      0.58541280     -0.37120966     -0.61532025       3      -1      -1       0      61      0.68324365     -0.27741918     -0.59059267
 Li              6.16519996      8.30631998     11.72310004      0.22733660      0.54859537     -0.10336206       3       0      -1      -1      56      0.23636526      0.69275712     -0.08926875
 Li              7.43898999      8.88280004      6.31222995      0.49836318     -0.45380102      0.96162434       3      -1      -1      -1      62      0.55204286     -0.40573872      0.90624445
 Li              2.57712997      4.30119004      4.47112005     -0.76858610     -0.00513487     -3.60869275       3       0       0       0      59     -0.63096223     -0.06586030     -3.58167303
 Li             11.79139999      2.24222996      4.76284999      0.91216598     -1.66042660     -0.80484038       3      -1       0       0      53      0.81207945     -1.57852942     -0.93086116
 Li              6.13190994      2.53975995     11.57350004     -1.15906013     -0.84404274     -1.98622199       3       0       0      -1      56     -1.40840928     -1.08806949     -1.96021565
 Li              4.01085005      0.05556481      9.66679004     -0.16698660     -1.24290851      0.15018858       3       0       0      -1      53      0.02082585     -1.16072492      0.26418538
 Li              3.29814003      6.53062000      1.19838996      0.23457996      0.07503374      0.24663872       3       0      -1       0      53      0.35305375     -0.05896717      0.46646027
 Li             10.80440000     11.99440005      8.05409000      0.42709783     -0.44687064     -0.51409577       3      -1      -1      -1      60      0.23463046     -0.45315251     -0.47329881
 Li              4.77018002      6.94026998      6.30661996      0.16841252     -0.60036406     -0.02617717       3       0      -1      -1      53     -0.00925729     -0.43631828      0.02262830
 Li              1.67303996      8.05565996     11.48430005      1.01386495      1.09582442     -0.83090644       3       0      -1      -1      60      1.01694591      1.30055372     -0.75384619
 Li             10.76819997      8.59850998      7.95221998      0.47542771     -0.56801396      0.06016319       3      -1      -1      -1      62      0.70525410     -0.54008801      0.14401313
 Li              2.35964997      2.29083001      0.40728902      0.30360109     -0.99486064      0.32723346       3       0       0       0      52      0.02800109     -0.65097959      0.27350573
 Li              9.56229999      2.39333003      7.80518005     -0.26564072      0.59106224     -0.26317920       3      -1       0      -1      57     -0.08338870      0.28211464     -0.54693906
 Li              6.86136999     12.43260001      7.85906002     -0.85797535      0.37526588     -0.54436999       3      -1      -1      -1      52     -0.84915144      0.26881502     -0.46965519
 Li              3.04264003      9.21055002      8.84557997      0.27830932      0.21255813     -0.07903466       3       0      -1      -1      59      0.29475392      0.28177431     -0.19615327
 Li              1.06954004      7.98378003      6.02087006     -1.36548301     -0.64942338     -0.51979812       3       0      -1       0      59     -1.13643485     -0.61035763     -0.36675476
 Li              9.91621006      5.43610996     11.14300004     -0.20036079     -1.12411428      0.00649825       3      -1       0      -1      59      0.04652520     -1.00033290     -0.07878061
 Li             11.88340002      5.25254997      7.42899996     -0.36440757     -0.11939118      0.12878870       3      -1       0      -1      54     -0.33378483     -0.14763467      0.03694334
 Li              0.21789894      1.91201003      9.77357997      0.71802303      0.16190293      0.06567189       3       0       0      -1      58      0.89913880      0.28880683      0.17483244
 Li              3.30907995     10.49220002      5.69597001      0.19348932     -0.43997750      0.61121702       3       0      -1       0      57      0.05487259     -0.61306202      0.64468257
 Li              8.09313003     10.19239994      9.69976996     -1.01392726     -3.01721430      2.25134975       3      -1      -1      -1      60     -1.09013937     -3.06153845      2.35129701
 Li              7.44648996      5.32804998      1.39840006     -0.25488283     -0.04535702     -0.37519958       3      -1       0       0      58     -0.23277501     -0.10069807     -0.37674933
 Li              4.52176998      6.14096001     10.27650002      0.20086633     -0.16740269     -1.46812578       3       0       0      -1      65      0.28319670     -0.01682485     -1.37812244
 Li             10.75460004      8.77821999     11.87209997      0.05139264     -0.29421598      0.25697468       3      -1      -1      -1      58      0.20172464     -0.20587937      0.22334158
 Li              5.70064004      2.98799997      7.42266997      0.48491729      0.33399298     -0.05659591       3       0       0      -1      61      0.34388055      0.27022313     -0.01132011
 Li             12.36490002      6.85270996      2.78358997     -1.22330856      0.61752241     -0.58186015       3      -1      -1       0      53     -1.49557703      0.48519784     -0.49915660
 Li              3.94905003     11.05919999     12.39790005      0.22012498      0.15644968     -0.08281015       3       0      -1      -1      51      0.22480357      0.13753881     -0.16740040
 Li              5.41323998      8.29166005      2.75094000      0.23529655     -1.55405558      0.81830051       3       0      -1       0      55      0.12923349     -1.59271764      0.79068851
 Li              7.42863003      6.18906998      8.68715000      0.20263177      0.03403243      0.00119213       3      -1       0      -1      62      0.30220875      0.13952155     -0.04623138
 Li              8.24692995     12.35600003      0.57363402     -0.86487941     -0.24160561     -1.20823557       3      -1      -1       0      48     -0.89360316     -0.39660681     -1.08846073
 Li              0.07959321     11.77099997      3.23950996     -0.87839165     -1.30275564      0.61533445       3       0      -1       0      50     -1.01145854     -1.28134964      0.47646950
 Li              2.58363002      4.38971001      8.47189006      0.11234447     -0.07771254     -0.40214625       3       0       0      -1      59      0.12928262     -0.00265978     -0.48527815
 Li              8.67188005      9.70030995      2.76253003      0.18248682      0.02819777     -0.12786331       3      -1      -1       0      55      0.22273143     -0.14022483     -0.18019427
 Li              0.53772196      4.94656006     11.16260000     -0.33663399      1.07884840     -1.10206305       3       0       0      -1      57     -0.52061084      1.01085639     -1.32037198
 Cl              4.63030006     10.96600006      7.43812004     -0.09674407     -0.07034322      0.09394722      17       0      -1      -1      65     -0.28816579     -0.10177833      0.33095379
 Cl              5.10531006      1.28569004      8.68481995      1.32333584      1.93228508     -0.69059271      17       0       0      -1      52      1.13048504      1.97295667     -0.54778350
 Cl              7.96920003     10.15489995     11.96109998      0.15268998      0.16234266      0.65213582      17      -1      -1      -1      57      0.20822679      0.06093800      0.52993207
 Cl              0.40468394      1.00797998      2.50728998      0.73117930      1.70935633     -0.43975457      17       0       0       0      50      0.59989475      1.63100042     -0.46671608
 Cl             11.53940003      9.64195001      9.95709998     -0.21757401      0.27929510      0.03105937      17      -1      -1      -1      57     -0.08590182      0.16084574      0.09180376
 Cl              8.76171004      6.42067004     12.46210152     -0.68091468      0.94451450      0.99514533      17      -1      -1      -1      56     -0.73069665      0.94275125      1.06643968
 Cl              5.14175998      0.73044501     12.35129996      0.21466409     -0.27008200      0.43626683      17       0       0      -1      51      0.12313234     -0.23354309      0.18333480
 Cl              0.57265295      3.45860001      8.14719000      0.02470638      0.03299634      0.03223623      17       0       0      -1      56     -0.22323615      0.13043659     -0.01976946
 Cl              7.91506000      4.04312003      9.11896002      0.62235021     -1.11144634      0.12784042      17      -1       0      -1      60      0.49026702     -1.12321965      0.08889079
 Cl              7.18273003      1.34253005      5.94616006      0.00870546      0.23965832      0.15730199      17      -1       0       0      56      0.19633428      0.36530128      0.12052539
 Cl              7.21174006      3.25030999      0.38170700      1.68763232      1.17983314      2.18557333      17      -1       0       0      58      1.88180904      1.36521907      2.23933973
 Cl              4.81604001      9.43387003      1.27949995     -0.29165855      1.20473451     -0.42731217      17       0      -1       0      56     -0.20121529      1.32348784     -0.48344865
 Cl              5.30457000      5.28039001      8.10494997     -0.19853944      0.53512880     -0.03043602      17       0       0      -1      63     -0.12393813      0.39774993      0.03196642
 Cl              9.13014003      7.61614998      3.37497004     -0.27079527      0.03802226     -0.37659155      17      -1      -1       0      60     -0.28377775      0.02097754     -0.24419196
 Cl              3.00593997      8.13268002      6.74243004      0.80492568      0.33671912      0.17309884      17       0      -1      -1      57      0.86024771      0.39286860      0.19419714
 Cl              1.36986001      6.19453994      3.84356999      1.02406713     -0.44781565      0.07043933      17       0       0       0      55      0.98610472     -0.26895709      0.05380570
 Cl              1.37137001      3.16567997     11.35570002      0.48086710     -1.39930923      0.31557462      17       0       0      -1      59      0.48898151     -1.31489531      0.33333043
 Cl             10.55990002      6.35259006      9.49513006      1.33374162      0.15901349     -0.75599592      17      -1      -1      -1      58      1.40559247      0.22560794     -0.57929405
 Cl             10.90129996      1.26473996      9.18155004     -0.53858704     -0.00020509      0.41649132      17      -1       0      -1      61     -0.52866726      0.03950467      0.48943212
 Cl              9.27762995      0.13324705      2.28799001      0.23851107     -0.22866677      0.98804278      17      -1       0       0      50      0.48848774     -0.20761843      1.14924902
 Cl              6.14270997      8.89454003      4.64830995     -0.29156230      0.29686825      0.43810136      17       0      -1       0      59     -0.14121576      0.00265874      0.45942185
 Cl              2.96895006      4.61091994      6.20711003      1.03003464      0.18540721      3.29052069      17       0       0       0      62      0.97802882      0.18564567      3.30639745
 Cl              4.98793002      6.47888995     12.19459995      0.62402900     -0.87768253      1.35858731      17       0      -1      -1      57      0.47996506     -1.00241622      1.15633776
 Cl              3.75230001      9.05183006     11.10870004     -0.71518197      0.32699104     -1.23926087      17       0      -1      -1      63     -0.64549613      0.33737234     -1.50773255
 Cl             12.08709996      8.70823997      1.59451002     -0.32292670      1.23596409      0.41387314      17      -1      -1       0      56     -0.19029106      1.27458563      0.57039029
 Cl              2.44066997      6.05366998      9.87643998     -0.58559381      0.35262419     -0.21267266      17       0       0      -1      63     -0.68167475      0.18116512     -0.20147862
 Cl             10.71379999      3.55279006      5.72426005     -1.49907806      1.42227762      0.81505289      17      -1       0       0      51     -1.54339740      1.32242513      0.84706650
 Cl              8.64961996     11.61889998      8.70607999      1.06666695      2.45184043     -2.17826198      17      -1      -1      -1      60      0.88482294      2.34826568     -2.19360372
 Cl              0.32705701      6.75942996     12.10309995     -1.16137552     -0.91690952      1.29376127      17       0      -1      -1      57     -1.28804563     -1.02858448      1.25765206
 Cl              4.77791002      5.91289003      2.86525002      0.14271251      0.03925350      0.18523869      17       0       0       0      52      0.19061142      0.09478148      0.36152799
 Cl             10.88669998      0.21686395      5.48045001      0.04602567     -0.29757957     -0.03520170      17      -1       0       0      50      0.05591035     -0.13414997     -0.02780089
 Cl              8.92357004      6.89218000      7.10629999     -3.10812371      1.05909575      0.79686435      17      -1      -1      -1      64     -3.40717523      1.04354044      0.84384214
 Cl              0.19040696      9.80422997      6.85905000     -0.02436759      0.75711415     -0.12569537      17       0      -1      -1      60     -0.11507635      0.78146179     -0.09863434
 Cl             11.30450004      6.88405996      6.01011000      2.64880641      0.36543219     -0.88250674      17      -1      -1       0      60      2.64540900      0.28575622     -1.10800975
 Cl              2.61167004     12.25077855     11.01449994     -2.19717456     -0.24938516      0.65141054      17       0      -1      -1      53     -2.04549284     -0.40074838      0.44277723
 Cl              6.79780996      8.47901998      9.05552002     -0.36597745     -0.12032439      0.06524085      17      -1      -1      -1      63     -0.13841400     -0.06533915     -0.03792556
 72
 energy=-253.05176751981045 stress="-0.00096589      -0.00183926       0.00064969      -0.00183926      -0.00870956       0.00361287       0.00064969       0.00361287      -0.00098894" free_energy=-252.84692332 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.41073342       0.00000000       0.00000000       0.00000000      12.41073342       0.00000000       0.00000000       0.00000000      12.41073342" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.88228001     10.17710001     11.32950002      0.00418882     -0.26396233     -0.06513028       3      -1      -1      -1      55     -0.05416362     -0.33419087      0.06072611
 Li             11.16049996     10.89790001     10.38599995     -0.09711170      0.01918377      0.46360435       3      -1      -1      -1      57     -0.01539078     -0.00721411      0.30538282
 Li              2.64716004      2.36736006     11.21690005     -0.36105892      0.12167466     -0.19751317       3       0       0      -1      61     -0.52803273      0.26573477      0.02212747
 Li              1.73299001      8.17140994      1.80382998      0.10188534     -0.14718194     -0.22856944       3       0      -1       0      59      0.15643870     -0.21372702     -0.03419411
 Li              1.20516996      5.82017999     11.07970001      0.28867233      0.10966283     -0.67862694       3       0       0      -1      59      0.50544964      0.01367135     -0.75946008
 Li              5.21781003      6.50860995      1.41821000     -0.13252905      0.19948089     -0.33376895       3       0      -1       0      59     -0.22455195      0.15822175     -0.38496791
 Li              4.72736006     10.11530001      2.54341996      0.43648134     -0.00606917     -0.71414362       3       0      -1       0      57      0.32126575     -0.13871633     -0.78478893
 Li              0.53646500      1.07791998      8.13582998      0.19247478     -0.15995723      0.18155414       3       0       0      -1      54      0.21009358     -0.38772725      0.15737586
 Li             11.02250005      5.96320004      1.57077999      0.30051971      1.08216465      0.94442291       3      -1       0       0      63      0.35745988      0.77883480      0.93856383
 Li              7.24523004      2.05632995      5.99109999     -0.17990505     -0.02338096      0.11384972       3      -1       0       0      59     -0.28631885     -0.27038522     -0.04831280
 Li              1.64564004      5.75386001      7.64213001     -0.13704200     -0.00764374     -0.09862340       3       0       0      -1      63      0.00958285      0.09265511      0.15111371
 Li              7.64430003      4.64902003      3.96796999     -0.09632598      0.14508744     -0.23215595       3      -1       0       0      58     -0.10338139      0.07301639     -0.30482124
 Li              8.19011999     11.77019995      1.90538999      0.54998387      1.28977743      0.12904752       3      -1      -1       0      57      0.48372562      1.17888798      0.13442960
 Li              5.53918994      1.99678003      1.76573002      0.22907560      0.24729444      0.46375395       3       0       0       0      59      0.23241719      0.30037205      0.50523210
 Li              7.98259999      9.16572998      4.28772000     -1.46045999     -0.96240724     -1.18818252       3      -1      -1       0      60     -1.26519648     -0.75891294     -1.28561009
 Li             10.49120003      7.17560000      5.12584004     -0.69402169      0.74323248     -1.44048467       3      -1      -1       0      58     -0.90458868      0.70335797     -1.38604374
 Li              3.40069994      3.11566002      4.87435998      0.37879614      0.26633396      0.25906908       3       0       0       0      56      0.34334314      0.24673101      0.19271918
 Li              4.09109998      7.55887000      5.10009000      0.29534393     -0.03407651      0.04791024       3       0      -1       0      57      0.18039198     -0.14504319     -0.04794159
 Li              8.77383997      1.00598005      8.88789002      0.27868400      0.59393340      0.74109099       3      -1       0      -1      58      0.34564007      0.51367736      0.57136342
 Li              4.77467995      7.90323000     10.48739999     -0.20502561      0.06222771     -0.00988714       3       0      -1      -1      56     -0.16255325      0.07753534     -0.02618668
 Li              3.41370999     11.49960005     11.01569997      0.09569626      0.07147745     -0.24217431       3       0      -1      -1      56      0.02228068     -0.02372492     -0.15398148
 Li              4.60116995      0.15478505      7.86346998      0.01913892      0.17166659     -0.05823052       3       0       0      -1      58      0.25699339     -0.00094199     -0.23584630
 Li             11.08380002      3.62277996      9.89003999      0.43657119      0.53023690     -0.44772010       3      -1       0      -1      55      0.29489985      0.47300482     -0.36674811
 Li              9.55739001      3.01418999      1.10984001     -1.17585891     -4.36866344      1.69658323       3      -1       0       0      57     -1.35656394     -4.23180057      1.60141691
 Li              1.58087997      4.40198004      1.92410997     -0.07806631      0.83982858     -1.51456209       3       0       0       0      58      0.00927815      0.72136458     -1.25827832
 Li              2.28337005     10.82369996      4.93455998      0.87871775     -0.14457604      0.89860062       3       0      -1       0      55      0.66767839     -0.27423635      0.93196216
 Li              0.45404296      1.34515000      3.77127997     -0.23030219     -0.33023470      0.16394961       3       0       0       0      61     -0.25801682     -0.41743710      0.03776021
 Li             11.49700000     12.17979995      0.97636605     -0.20297570     -0.35602100     -0.80917685       3      -1      -1       0      58     -0.12020752     -0.43870879     -0.75363753
 Li              7.76578994      4.41229001     10.68080005     -0.06643142      0.47960666     -0.94458758       3      -1       0      -1      58      0.01851055      0.34407415     -0.83935605
 Li              7.21282996      6.16057997      7.73008997      0.43107116      0.11647083     -0.05048067       3      -1       0      -1      57      0.48635444      0.18929939     -0.08616875
 Li              5.52307001      9.84497997      6.94715004      1.06403694     -0.47190903     -0.04518318       3       0      -1      -1      59      0.83773420     -0.50742723      0.09099501
 Li             10.08989996      5.25359005      6.81417995      0.32027411     -0.49748940      0.13621828       3      -1       0      -1      54      0.28305521     -0.50399296      0.08146408
 Li             10.25469998     11.40089997      5.59067003      1.19863481      1.44866945     -0.10058398       3      -1      -1       0      59      1.21154611      1.30305354     -0.19482559
 Li              9.05698999      8.31971002      0.09837802      0.34070524     -0.03397078     -0.19845596       3      -1      -1       0      58      0.41504630      0.23841917     -0.12297414
 Li              0.60465205      5.03747996      4.71610997      0.29243548      0.89717866     -0.43476603       3       0       0       0      62      0.56549153      1.00993196     -0.47172300
 Li              1.51384004      9.47899005      8.93869994      0.55258883     -0.89309946     -1.08717788       3       0      -1      -1      57      0.48800685     -0.85036882     -0.98939067
 Cl              9.55593994      9.55789004      5.37156995      0.95042439     -0.90101976      0.96032356      17      -1      -1       0      60      0.88670824     -1.09774088      1.03021027
 Cl              5.81764994      9.42672994      4.34197005     -0.07488660      1.22093693     -0.39239071      17       0      -1       0      60      0.09583513      1.31798846     -0.26648204
 Cl              8.68086000      3.75582004      5.73667995     -0.19288849      0.30000523      0.43459151      17      -1       0       0      52     -0.20462431      0.44126804      0.67594191
 Cl             10.83860004      0.35844606      8.94663002      0.95052184     -0.32708284     -0.77858988      17      -1       0      -1      55      0.82763539     -0.25076798     -0.87124732
 Cl              9.29347006      2.72842999     10.50399997     -1.10785996     -1.65187363      1.00067479      17      -1       0      -1      59     -1.18161874     -1.50588654      1.10175288
 Cl              9.35517995     11.75990004     11.90550003      0.74986664      0.81963969     -0.27027453      17      -1      -1      -1      55      1.04771617      0.86794151     -0.16973403
 Cl              4.44079994      0.30162600      0.70495696      0.10315045     -0.11385233     -0.14127048      17       0       0       0      60      0.05623563     -0.20326527     -0.30502097
 Cl              6.92993995      0.48834796      8.12390004     -0.16184683     -0.28043225     -0.45464081      17      -1       0      -1      60     -0.05833548     -0.31375876     -0.25729394
 Cl             11.89299994      4.09575996      6.16865005      0.09782493     -3.00344580      0.68023371      17      -1       0       0      55     -0.11213439     -2.91265612      0.70731264
 Cl              9.27823998      6.35459995      3.28639001     -0.30008265      0.20170417      0.18019924      17      -1      -1       0      57     -0.45836013      0.33061737      0.21278128
 Cl              0.21504698      6.87211003      2.82583998      0.07620829     -0.42446760      0.38331163      17       0      -1       0      60     -0.01937817     -0.61177025      0.48235348
 Cl              7.86392000      9.90840999      1.15233002     -1.15902110     -1.59082686      0.65132696      17      -1      -1       0      54     -1.14809515     -1.69145114      0.48602747
 Cl              9.52769994      5.12165998      8.92447004      0.26138558      1.24750779     -0.18885120      17      -1       0      -1      57      0.38731327      1.46558948     -0.47065496
 Cl              3.50341998     10.20509999      6.92388004     -1.37362863      0.25798846     -0.26065345      17       0      -1      -1      55     -1.28080696      0.31588447     -0.13632495
 Cl              4.52068002      8.37796997      0.65365595     -0.25771236      0.81781648     -0.21068239      17       0      -1       0      59     -0.11860767      0.76612713     -0.20274749
 Cl              6.98618999      7.48770996     10.74529999      0.78598406      0.37153243      0.52498923      17      -1      -1      -1      59      0.56689223      0.66729748      0.43954936
 Cl              6.37021997      7.15382996      5.93689996      0.18383013     -0.54264358      0.61796752      17      -1      -1       0      60      0.12628932     -0.41089987      0.56242388
 Cl              5.57230997      4.72969005      2.43662995      0.27351850     -1.00530626      0.32684446      17       0       0       0      55      0.43771692     -0.87087330      0.24378151
 Cl              1.09468005     10.94449996     10.22320005     -0.72577871      0.46473435      1.27480852      17       0      -1      -1      57     -0.66318796      0.43074854      1.42674961
 Cl              5.30868998     10.31220002      9.55416000     -0.11719839     -0.07882580      0.68190486      17       0      -1      -1      56      0.04649237     -0.18196674      0.80512422
 Cl              6.06685002      4.88622998      8.85490999     -0.63346787     -0.94956332      0.92003260      17       0       0      -1      59     -0.82483739     -0.85964500      0.99992077
 Cl              1.67088000      4.11947998      9.38294003     -0.66011635     -0.18333797      0.36556569      17       0       0      -1      60     -0.61668379     -0.09578943      0.24195474
 Cl             11.42750001      8.92103003      0.06510150     -0.35274858     -0.20198919     -0.18260706      17      -1      -1       0      64     -0.46999846     -0.24548039     -0.24003984
 Cl              2.34877002      5.73611998      0.48660401      0.60302071      0.66171846     -0.22213639      17       0       0       0      59      0.45910584      0.61353870     -0.33037416
 Cl              2.83369994      0.75683904      9.32128003      0.37892089      0.79942831     -0.08865613      17       0       0      -1      55      0.29655212      0.92430769     -0.05561771
 Cl             11.98659996      6.78695999      6.39263996      0.90001108      1.86598694      1.22899309      17      -1      -1      -1      62      1.03436951      1.80215887      1.25848620
 Cl              7.62388003      1.96758998      3.40027996     -0.13412073     -0.64587642     -1.33507798      17      -1       0       0      61     -0.39042701     -0.57487322     -1.24790717
 Cl              1.49022006      3.28830002      3.50983000      0.17720102     -1.68621658      2.22046329      17       0       0       0      57      0.30099964     -1.72862496      1.99585108
 Cl              2.26149005      7.51754003      9.55765995      0.19270840     -0.36405862     -0.03020066      17       0      -1      -1      58      0.22947351     -0.36579381     -0.05139957
 Cl              5.07669999      1.48953995      5.78531998     -1.24048672      0.24659056     -0.48870108      17       0       0       0      56     -1.18673440      0.28347452     -0.48860983
 Cl             11.13310004      0.09380678      3.02298001     -1.13449047      0.39588391     -0.40377979      17      -1       0       0      60     -1.04564547      0.62005657     -0.54952253
 Cl              9.97969997      4.61181998      0.45837803      0.73911920      3.71693321     -2.17792109      17      -1       0       0      58      0.69207607      3.76756597     -2.19296157
 Cl              2.85614004      5.54649006      5.13493996      0.41919103      0.40512260      0.66472740      17       0       0       0      61      0.42813518      0.35577545      0.82365415
 Cl              1.15605001      2.54645997      0.63845305     -0.25489309     -0.68901530     -1.10543972      17       0       0       0      58     -0.18041674     -0.74822597     -1.30646523
 Cl              0.49357301     11.71230004      5.19616000     -0.76729811      0.89510860      1.21308958      17       0      -1       0      59     -0.63808448      1.03376913      1.17658946
 Cl              2.79971998      9.66027003      3.32057997     -0.76322353     -0.78334984     -0.71764372      17       0      -1       0      65     -0.74528787     -0.51192763     -0.77543698
 72
 energy=-252.35715474104131 stress="-0.00508471      -0.00389600       0.00037217      -0.00389600      -0.01644867      -0.00304157       0.00037217      -0.00304157      -0.01286489" free_energy=-252.45979257 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.28488614       0.00000000       0.00000000       0.00000000      12.28488614       0.00000000       0.00000000       0.00000000      12.28488614" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.20281000      9.92468998      2.51220995      0.40477581     -0.32109007     -0.34963760       3      -1      -1       0      62      0.56161829     -0.30175211     -0.15766147
 Li              2.12862999      9.71984995      6.48524004     -1.73046246     -0.77744424     -1.04916016       3       0      -1      -1      58     -1.50907492     -0.73770046     -0.91844689
 Li              5.75480000      9.26686000      7.59021997     -0.05974641     -0.37041757      0.14064617       3       0      -1      -1      58     -0.05024088     -0.26929300      0.21517125
 Li              3.08715995      0.60344098      8.21902998      0.65719931     -0.46751802     -0.22183491       3       0       0      -1      63      0.66241208     -0.51930917     -0.14485340
 Li              9.59707000      6.40992005     10.35550005     -0.27698618     -0.87772063     -0.06944566       3      -1      -1      -1      59     -0.28030890     -0.94335105     -0.02940928
 Li             11.58050001      2.34769002      9.39112003     -0.18489443     -1.08429332     -0.21050996       3      -1       0      -1      65     -0.06564226     -0.98801348     -0.23736594
 Li              1.27126999      0.93502197      2.42735996     -0.33682597     -0.22857174      0.21630872       3       0       0       0      55     -0.31790982     -0.16405809      0.01042672
 Li              6.57416996      6.68685001      3.93832000     -0.27012289     -0.19268663     -0.07658033       3      -1      -1       0      66     -0.22961417     -0.23365141     -0.11980361
 Li              7.23336000      9.09556004     10.63949996     -0.12456182     -0.05513664      0.21832548       3      -1      -1      -1      64     -0.07854781     -0.04517094      0.17359622
 Li              8.92437003      4.42398000      6.83289003      0.53878351     -0.36264417      0.68126561       3      -1       0      -1      58      0.68180274     -0.44886440      0.70842394
 Li             12.04750000     10.53930001      4.57090994      0.04875048      0.18318189     -0.08330304       3      -1      -1       0      54      0.04350897      0.28662558     -0.11240645
 Li             10.12489997     11.60470000     11.37550002      0.38653734      0.79978948      3.05421784       3      -1      -1      -1      62      0.27250415      0.87229068      3.02125882
 Li              5.45470996     12.23089996     12.10129994      0.45151836     -0.24131162      0.68097834       3       0      -1      -1      59      0.31192285     -0.40508037      0.34068241
 Li             11.33109999      2.41685995      6.15962004     -0.13748257     -0.84777135     -0.32906741       3      -1       0      -1      57     -0.11988972     -0.68135041     -0.20747577
 Li              5.99596005     12.20919994      5.47628996     -0.39998239     -0.79073400      0.89948250       3       0      -1       0      57     -0.36797517     -0.67210916      0.84924707
 Li              3.19494999      5.78758001      6.21768996      0.53410325     -0.89109134      2.28251313       3       0       0      -1      57      0.46397035     -0.82797326      2.15584656
 Li              9.34881997      6.43487004      1.64267994     -0.96721282      0.34010621     -0.01725600       3      -1      -1       0      56     -0.82636994      0.35687735      0.02744436
 Li              9.10387998      1.02698000      3.15174000      0.55626812     -0.37169240      0.40232892       3      -1       0       0      64      0.41959361     -0.34602813      0.50306942
 Li              6.26169000      2.98299001      3.51083999      0.56353533      0.26626349     -0.06842209       3      -1       0       0      56      0.53609164      0.23528801      0.01199819
 Li              0.61612205      4.85412006     11.13630002      1.16296336      0.78326253      0.33681632       3       0       0      -1      61      1.00785594      0.55965139      0.35682269
 Li              5.72501001      3.06726998      7.44314998      0.35934569      0.11364284     -0.65393977       3       0       0      -1      64      0.14063589     -0.00677004     -0.72900520
 Li              2.86683997      7.72486994     10.55569996      0.97901632     -0.91104505     -1.22215587       3       0      -1      -1      62      0.95598804     -0.73746905     -1.14243346
 Li              5.76954997      8.70561994      0.99527700      0.62030836      1.16185290     -1.68693477       3       0      -1       0      65      0.63485525      1.21741012     -1.70847354
 Li              3.21603000      2.65702996      0.54742706      0.48922782     -1.21208993      0.07642409       3       0       0       0      58      0.38170593     -0.97544734     -0.11084355
 Li             11.97580000      6.17491006      6.69291997      1.56840521      2.09240131      0.84970247       3      -1      -1      -1      62      1.49432348      1.98878145      0.80211702
 Li              1.13854003      5.11788000      2.15738006     -0.37608458      1.28746725      0.01219107       3       0       0       0      59     -0.46732859      1.40426543      0.00097112
 Li              8.37549999      8.36000003      5.90104997      0.13550377     -0.00286173      0.07463765       3      -1      -1       0      59      0.18229475     -0.03252456      0.02658624
 Li              2.39359004     11.19969999     11.40509997      0.26602735     -0.94563311     -0.42683339       3       0      -1      -1      62      0.33516970     -0.94007562     -0.47408571
 Li              7.09106994      3.41850003     11.14279996     -1.27807678     -2.77626692      0.44691396       3      -1       0      -1      61     -1.30181754     -2.93707515      0.42307695
 Li             10.00120001      3.60808003      0.01571384      0.04002276     -0.25465652      0.15348748       3      -1       0       0      61      0.05019934     -0.13272073     -0.13927515
 Li              4.44957004      5.63923006      1.05135002     -0.00255187      0.20368453     -0.24816522       3       0       0       0      55      0.09750015      0.22941235     -0.11594130
 Li             12.24419995      8.55163995      0.38741801     -3.24018490     -0.10491516      1.63983948       3      -1      -1       0      60     -3.15207958     -0.28329089      1.50388166
 Li              4.44932004      8.88900995      4.50386002     -1.77897810      1.42374610      0.51844948       3       0      -1       0      60     -1.73858340      1.31239068      0.57178954
 Li              6.28801995      6.12155999      9.66084994     -0.09440256      1.08467883     -0.13618031       3      -1       0      -1      67      0.00079361      1.03329894     -0.01186927
 Li              8.28483999      0.50471005      8.24299005      0.22752676     -0.47358659      0.26491583       3      -1       0      -1      60      0.09508360     -0.34210416      0.42564061
 Li             10.06609996      9.53612997      8.48946000      0.58387255     -2.63556381     -1.46685215       3      -1      -1      -1      60      0.49101056     -2.50859752     -1.52817273
 Cl              3.79494998     10.39819998      7.19391999      1.37868689      0.60198287      1.14219928      17       0      -1      -1      55      1.41372294      0.38953503      1.12192236
 Cl              9.53550000      2.31079003      7.83894002     -0.04945863     -0.33624650     -0.05003024      17      -1       0      -1      60     -0.06713348     -0.44002421     -0.32387530
 Cl              2.11041002     10.71119996      4.34966000     -0.45842549     -0.08336321     -0.01239831      17       0      -1       0      58     -0.60264134     -0.09427780     -0.10844887
 Cl              1.46401998      8.64972003     11.58539996      1.94407550      1.20185307     -0.89823831      17       0      -1      -1      61      1.94071695      1.23267089     -0.63986461
 Cl              1.65965999      5.88734004      8.31128996      0.02123461      0.13040647     -0.29617265      17       0       0      -1      60      0.13935702     -0.01159906     -0.65752893
 Cl              8.87592999      2.49780003      1.74779999     -0.60889372      1.93119676      0.74106598      17      -1       0       0      59     -0.53906140      2.01388376      0.77706448
 Cl              4.99112000      7.90642004     10.02360002      0.20985288     -1.16231869     -0.58362570      17       0      -1      -1      61      0.01374052     -1.12057947     -0.43274270
 Cl              8.90399997      7.66760001      3.44490001     -0.57818492      0.43332669      0.80849681      17      -1      -1       0      63     -0.72309111      0.39760406      0.61066479
 Cl             11.36410002      0.82016295      4.16093995      0.00028925     -0.21762870      0.31659979      17      -1       0       0      54     -0.02080056     -0.18984094      0.54051220
 Cl              4.88050996      8.28748996      2.68658998     -0.24555058     -0.76369592     -0.70564287      17       0      -1       0      62     -0.07394524     -0.72588909     -0.83370670
 Cl              4.85133999     10.48199998     11.12620000     -0.76783039      0.45206484     -0.12752664      17       0      -1      -1      65     -0.80114919      0.55890637      0.08267239
 Cl              5.61382000      4.26436997      9.12490004     -1.19022296     -0.80141309     -0.47472442      17       0       0      -1      69     -1.10892707     -0.75294400     -0.55795055
 Cl             11.26339995      6.01194994      0.93750094      1.16494944     -0.43407906     -0.00380972      17      -1       0       0      64      1.10662180     -0.50518776      0.13009099
 Cl              2.55750998      0.38795597      0.57674899     -0.19839043      0.27256855      0.62999806      17       0       0       0      57     -0.26058240      0.29590518      0.53797947
 Cl             10.64899999      8.09635998     10.53810002      0.62543195      0.74391384     -0.04706734      17      -1      -1      -1      61      0.58761556      0.70600499     -0.12315540
 Cl              9.78580996     11.01460004      9.61224995     -1.28274198      2.19095075     -1.32614136      17      -1      -1      -1      65     -1.04107474      2.20846076     -1.33685134
 Cl              9.56663997      1.52144998     11.55019995      0.39189160     -0.52860555     -1.79824240      17      -1       0      -1      60      0.34009774     -0.61627199     -1.96806967
 Cl              7.32794994     11.04090002      0.78364994      0.10493629     -0.24373327      0.34458233      17      -1      -1       0      60     -0.09103155     -0.44555056      0.36748507
 Cl              7.24994005      7.27310996      0.36684304      0.24482809      0.28457690      0.26336089      17      -1      -1       0      61      0.17175817      0.38123795      0.31063315
 Cl              2.49750998      4.54799998      0.14321389      0.80080809      3.07319087     -2.14929453      17       0       0       0      55      0.86059052      2.79567320     -2.14369833
 Cl              7.30808000      4.47644998      5.60349000     -1.16092817     -0.02811346     -0.56702675      17      -1       0       0      58     -1.17440238     -0.17720963     -0.50945611
 Cl              7.33118995     10.32260002      6.30871004     -0.01806824      1.75118743     -1.07579462      17      -1      -1      -1      62     -0.04479867      1.67864786     -1.19631072
 Cl              7.04737997      1.01979997      4.09105996      0.11966120     -0.05632005     -0.26082558      17      -1       0       0      60      0.06040103     -0.09740861     -0.14835192
 Cl              2.64744997      6.82606996      4.72864002     -1.76006743      1.06393980     -2.08722198      17       0      -1       0      58     -1.75273522      1.09014426     -1.83246976
 Cl              5.09555996      4.71869000      2.87988996      0.08047066      0.01886955      0.12225721      17       0       0       0      61      0.09662803      0.08841297      0.01036859
 Cl             10.90620005     10.29930002      1.21813995      0.00126574      0.06957995      0.18567389      17      -1      -1       0      58      0.18156237      0.06427946      0.18225922
 Cl             11.04310000      4.54762001      6.20628996     -0.55112857     -0.76143279     -0.90338920      17      -1       0      -1      55     -0.52323201     -0.81040655     -0.86540436
 Cl              1.49672001      3.14932000      2.11715996     -0.77752072     -2.57407613      2.19666568      17       0       0       0      57     -0.85514467     -2.50312942      2.22213516
 Cl              7.95667002      8.47416999      8.40823995     -0.01140022     -1.24799901      0.70933022      17      -1      -1      -1      62      0.10082122     -1.25890845      0.65976728
 Cl              7.84912002      5.10884005     10.74310001      2.55172447      1.60646821     -0.00339230      17      -1       0      -1      65      2.51811133      1.54885730     -0.09949348
 Cl              5.08794002      0.97528102      7.39317998      0.72062263      0.32047748     -0.22410408      17       0       0      -1      59      0.66925482      0.51901457     -0.08561293
 Cl              5.40630997      7.71173003      5.75150998      1.78250644     -1.44279899      1.76015116      17       0      -1       0      57      1.88448146     -1.45491167      1.91638137
 Cl             11.18400002      8.89940002      6.43956999      0.10478756     -0.00970037     -0.24057968      17      -1      -1      -1      59     -0.04212138      0.08509332     -0.06720180
 Cl              5.23742005      1.97095998     11.65519998      0.14047674      1.14767120      0.00255984      17       0       0      -1      63      0.19526237      1.18759022     -0.03384485
 Cl              1.14919004      1.00831004      8.76410006     -0.98952609      0.23250173      0.25991706      17       0       0      -1      55     -1.02718246      0.38632527      0.40465103
 Cl             11.20590004      4.17215998     10.31210001     -1.05529623      0.62146305     -0.28077544      17      -1       0      -1      55     -0.84714718      0.55938033     -0.15107726
 72
 energy=-252.87199222411826 stress="-0.00670992       0.00222915       0.00086871       0.00222915      -0.01146270       0.00245887       0.00086871       0.00245887      -0.00701102" free_energy=-253.40318976 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.19450527       0.00000000       0.00000000       0.00000000      12.19450527       0.00000000       0.00000000       0.00000000      12.19450527" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.58596995      4.26599000      4.28216003     -0.08561593     -0.40604662      0.11421466       3      -1       0       0      66      0.00592421     -0.45662449     -0.02859312
 Li             11.64180005      0.10932898      8.20057005      0.66266009     -1.06951297     -0.48678698       3      -1       0      -1      67      0.61549706     -0.95951694     -0.34843971
 Li              3.11889996      2.20480997      7.57511997      0.06904553      0.89202395     -0.22606618       3       0       0      -1      61     -0.01741443      0.71329083     -0.25824606
 Li              2.62054004     11.59670001      5.45380005     -0.23175431     -0.47702761     -0.02348023       3       0      -1       0      63     -0.04301097     -0.41009898      0.00114344
 Li             10.45489995      3.68337995     10.18070004     -0.08343103      0.00314082      0.38510501       3      -1       0      -1      61     -0.07740161     -0.31573355      0.34562531
 Li             11.53059994      2.56252005      2.23185994      0.92973272      0.04989437     -0.87370974       3      -1       0       0      65      0.89860500      0.02457743     -0.97480373
 Li             10.23190001      7.77645003      1.02099995     -0.01786099     -0.17087064      0.10656608       3      -1      -1       0      57     -0.07827469     -0.36044126     -0.06604031
 Li              1.05682997      6.48954999      0.88288706      1.31105342     -0.06837089     -1.87607437       3       0      -1       0      55      1.40400585     -0.37012762     -1.87608017
 Li             11.58509999      7.77193002     10.44959997      1.79820471      1.45833901     -0.25773496       3      -1      -1      -1      58      1.81691919      1.34685501     -0.24603626
 Li              4.20795001      7.40403996      6.07768997      0.27357855     -2.57251160     -0.96770809       3       0      -1       0      59      0.31828981     -2.55279264     -0.94838153
 Li              4.40654996      0.72399205     10.97930002     -0.36597609      0.00688107      0.15387704       3       0       0      -1      61     -0.24933265      0.03723912     -0.06921852
 Li              8.13888000      1.07914994      8.86284997     -0.27123559     -0.35152649     -0.64361635       3      -1       0      -1      60     -0.21354201     -0.30668604     -0.57832176
 Li              8.77248003     11.47360002      2.29312001      0.14904995     -0.29735506      0.04949692       3      -1      -1       0      66      0.08242842     -0.10596081      0.16699091
 Li              6.99335000      2.04217002      0.27957903     -0.00456833      0.01404397      0.58808343       3      -1       0       0      58      0.16609210     -0.05220462      0.64118360
 Li              6.03911997      0.81038999      4.65704998     -0.70918843      1.08515200     -0.05437017       3       0       0       0      57     -0.65328224      0.85284808     -0.06710274
 Li              3.78416997      1.37636003      2.27457997     -0.09825454      0.46651281      0.41861466       3       0       0       0      59     -0.07152602      0.51487347      0.48214847
 Li              5.30752001      5.48471995      2.98830998      0.36584290     -0.05874539     -0.35317335       3       0       0       0      62      0.36046979     -0.11264359     -0.26366474
 Li              7.08533998     10.13770002     10.26349999      0.68768894     -1.00933756      0.79763229       3      -1      -1      -1      60      0.64537315     -0.98724342      0.75006376
 Li              1.59517994      3.22556005     11.95929997     -0.49481424      0.26832592      0.02353411       3       0       0      -1      59     -0.47511562      0.10413106     -0.01344605
 Li             10.56109995     11.71950002     11.18700000      0.14304880      0.01898708      0.38857593       3      -1      -1      -1      64      0.17400841      0.22291422      0.30294826
 Li             10.56890004      6.80570998      4.78359004      0.02471881     -0.22958727     -0.16327603       3      -1      -1       0      58      0.04687437     -0.23394050     -0.23620523
 Li              4.97996999      7.39557003     11.12390002     -0.18317898      0.97074843      0.30597864       3       0      -1      -1      64     -0.21737351      1.04134456      0.26803042
 Li              1.34354998      8.10956002      3.69407002      0.07072748     -1.55246205     -0.35830801       3       0      -1       0      57      0.23231933     -1.39623694     -0.12233107
 Li              9.70480996      1.02542997      5.34056005     -0.72336480      1.07770910      0.07056868       3      -1       0       0      63     -0.79611008      1.10487614      0.23911230
 Li             11.33360003      9.83822004      5.37457004     -0.06979351     -0.93382779      0.37124526       3      -1      -1       0      60      0.12809310     -0.87133490      0.35603664
 Li              8.31914003      6.47481001      9.96741997      0.59714339     -0.59554291     -0.44416364       3      -1      -1      -1      60      0.46178872     -0.62739437     -0.43228433
 Li              4.78137003     10.69410005      8.18274998      0.04328266      0.10913753     -0.12981561       3       0      -1      -1      66     -0.03164644      0.16326586     -0.20030587
 Li              7.71202000      9.97447998      5.47494996      1.46534542     -0.99913727      1.45196512       3      -1      -1       0      61      1.37361354     -0.74812346      1.38844276
 Li              6.06941002      4.19611000     10.07190005     -0.15833695      0.24896685      0.08684724       3       0       0      -1      59     -0.12956464      0.20936612      0.23581739
 Li              1.96357997      9.05603996      8.21456995      1.03373814     -1.54696243     -0.29818777       3       0      -1      -1      63      1.07695668     -1.50173531     -0.57857694
 Li              1.81871998     10.56420003      1.30438001      0.10437648     -0.52944051     -0.69728907       3       0      -1       0      62      0.27357340     -0.41454349     -0.67274538
 Li              5.49115999     10.52719995      2.46495998     -0.12676140     -0.07334584     -0.66147650       3       0      -1       0      58     -0.13749169      0.05598368     -0.36621915
 Li             10.06399996      9.36809003      8.23437005     -0.28409133     -0.31605143     -1.81260663       3      -1      -1      -1      61     -0.24719986     -0.15867493     -1.63911993
 Li              2.49196996      4.68135997      4.45466997     -0.37970271      1.29768285      0.28050548       3       0       0       0      58     -0.51551822      1.32051359      0.23655712
 Li              1.15771999      4.93464996      8.52311996      0.21590475      0.83768992      0.11045990       3       0       0      -1      61      0.32530757      0.72715343     -0.12531825
 Li              6.31336000      4.30972998      6.57923997      0.29097547     -0.39726555      0.54969973       3      -1       0      -1      59      0.40149066     -0.46808000      0.52588295
 Cl              3.26117996      1.94224995      0.23949472      0.26778558     -0.44526971     -0.67869207      17       0       0       0      55      0.16823093     -0.51074671     -0.61696688
 Cl              3.96447000     11.88108527      3.73039001     -1.28746891     -0.17117884     -0.19808764      17       0      -1       0      61     -1.59326059     -0.10650963     -0.32626252
 Cl              2.51669005      4.65165001      6.67644005      0.33480458     -0.60120178      0.74310373      17       0       0      -1      64      0.33563811     -0.65452692      0.71521653
 Cl              9.08906000      8.23994001      5.76422996      0.54319557      0.17048900      0.63227730      17      -1      -1       0      60      0.63116231      0.19065660      0.53156305
 Cl              8.25540996      4.89028001      7.93101002     -0.11895086      0.06854969      0.63897446      17      -1       0      -1      58     -0.14039114      0.18561279      0.56251052
 Cl              5.82473995     11.79249999      9.80484002      0.29938051      0.17257011     -0.25666754      17       0      -1      -1      59      0.40083733      0.15655380     -0.02135215
 Cl              9.35065994      5.91442005      3.12696004     -0.74268166      0.02129461     -0.36130195      17      -1       0       0      60     -0.71459956      0.04839753     -0.52417750
 Cl             10.25259994      6.50064004     11.02579998     -1.99136512     -1.98582484      1.00336543      17      -1      -1      -1      58     -2.04786097     -1.87614719      1.21711006
 Cl              4.96372996      5.47443998     11.82249994      0.32050710     -1.22949279      0.28012514      17       0       0      -1      62      0.35326943     -1.03470127      0.42043538
 Cl              9.88530997      2.40473998      3.40911004     -0.91822803     -0.03159564      0.98654658      17      -1       0       0      61     -0.82449842     -0.03909927      0.97333781
 Cl             10.78830004     11.95330003      1.30852005      0.01998944     -0.30282934     -0.30615294      17      -1      -1       0      62     -0.05808604     -0.47762129     -0.37720344
 Cl              8.67444999     11.52019998      7.45278994     -0.47494132     -0.62827652      0.35587565      17      -1      -1      -1      63     -0.27619581     -0.67460823      0.56664574
 Cl              6.73669005     11.15750003      4.28593997      0.41938964     -0.89018699     -1.26117020      17      -1      -1       0      63      0.43998614     -0.99306463     -1.31133863
 Cl              3.63092004      0.17207203      7.25649999      0.06311916      0.35992265     -0.10660008      17       0       0      -1      64     -0.17253538      0.50914174      0.17559815
 Cl              7.84397003      9.35738996      0.64699472      0.15621674      0.60724993      0.36813092      17      -1      -1       0      62      0.36124373      0.55232856      0.34005293
 Cl              6.13832995      1.19075003      2.16854997      0.55601687      0.49210518     -0.78721501      17      -1       0       0      58      0.60403305      0.60533075     -0.94422557
 Cl              4.48585998      3.36835003      8.78946003      0.36572377     -0.20385970      0.28970782      17       0       0      -1      59      0.31003603      0.08889098     -0.02430463
 Cl              0.74258806      8.80138003     12.10724200      0.24050217      0.24998072      0.32512872      17       0      -1      -1      61     -0.14861115      0.10018279      0.44642393
 Cl              3.42994996      6.38854998      2.84568999     -0.67410692      0.62710396      0.22180949      17       0      -1       0      60     -0.61240257      0.63384906      0.20437847
 Cl             10.08529998     11.30529999      4.74026004      0.03448752     -0.04934505     -1.19413977      17      -1      -1       0      62      0.03095496     -0.04971842     -1.15257908
 Cl              4.11915999      9.24738004      6.63326004     -0.07492812      1.38634357      0.87907599      17       0      -1      -1      64     -0.18760878      1.01326911      0.90672848
 Cl              0.48509803      6.17012005      5.01819001      0.18069453      0.07913132      1.63879145      17       0      -1       0      64     -0.14725459      0.13614308      1.75498551
 Cl              0.27883505      7.74931994      8.47274994     -0.08328062     -1.37211802     -0.66277027      17       0      -1      -1      59     -0.10559248     -1.43869485     -0.45587482
 Cl              1.22877006      9.75095994      4.95875997      0.42119326      0.86299426      0.00028991      17       0      -1       0      55      0.01761187      0.78096793     -0.21451391
 Cl             12.16080002      6.80923004      2.43784001     -1.58223356      1.08580158     -0.38247844      17      -1      -1       0      57     -1.61757593      1.39803447     -0.48146198
 Cl             11.50159994      2.64844997     12.01070005     -0.05037387     -0.17950694      0.22401712      17      -1       0      -1      57      0.06475279     -0.13182978      0.36196492
 Cl             10.33679995      9.65953005     10.17120003     -0.59371536      1.14789539      1.42897929      17      -1      -1      -1      61     -0.51922881      1.17756293      1.29617789
 Cl              6.72069001      7.78158002      9.85135998     -0.66160310      1.13200538     -0.65161698      17      -1      -1      -1      62     -0.40476324      1.00529333     -0.90001428
 Cl              6.15173000      5.80646002      4.99039995     -0.21252758      0.28640330      0.20301864      17      -1       0       0      62     -0.47961954      0.20376233      0.06147478
 Cl             10.34970003      1.38896000      9.05092997      0.15317426      1.30344267      0.75981747      17      -1       0      -1      63      0.16611623      1.05726686      0.77390910
 Cl              7.56535998      2.44495002     10.44880001     -0.02165493      0.56320518      0.57256112      17      -1       0      -1      60     -0.14012284      0.53414290      0.51029959
 Cl              0.95911101      5.13560005     11.00830001      0.65058978      0.19984112     -0.73823330      17       0       0      -1      60      0.71271422      0.24841786     -0.58583091
 Cl              2.22304002      3.10666997      3.20911003     -0.28049482     -1.48914104     -0.79931601      17       0       0       0      56     -0.09613634     -1.47481601     -0.54384501
 Cl              4.07250003      9.98175997      0.17019603     -0.08206098      0.34056733      0.53701882      17       0      -1       0      64     -0.07501011      0.41553340      0.55554089
 Cl              0.92890095     10.68149995      8.25286997     -1.23202177      2.82790178     -0.00491746      17       0      -1      -1      59     -1.17821427      2.93175318      0.02650586
 Cl              7.32390999      2.30168994      5.58386994      0.10767801      0.44472069      0.37561816      17      -1       0       0      55      0.08915574      0.45989750      0.25058922
 72
 energy=-249.75454808543651 stress="-0.01224590       0.00537969      -0.00207788       0.00537969      -0.02772018       0.00137952      -0.00207788       0.00137952      -0.01126829" free_energy=-249.58804357 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.10826769       0.00000000       0.00000000       0.00000000      12.10826769       0.00000000       0.00000000       0.00000000      12.10826769" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.85057997      7.27662996      5.99266998      0.55691152     -0.00659073      0.10260149       3      -1      -1       0      62      0.63554642     -0.22888076      0.27002190
 Li              4.99062994      9.43950003      8.71010004     -0.61046011     -1.25158656     -0.41722245       3       0      -1      -1      59     -0.66377353     -1.17082990     -0.36390333
 Li              4.18497003      7.25766998     12.00400001     -0.76192933     -0.52804590     -0.21212406       3       0      -1      -1      59     -0.91791638     -0.59070262     -0.22398502
 Li             11.71889995      2.28574998      8.26928996      0.31227435     -0.26462210     -0.14396450       3      -1       0      -1      65      0.23944553     -0.30871783      0.04314999
 Li              0.99686496      3.52993999      2.46113000     -0.22202612      0.15282648      0.22463854       3       0       0       0      63     -0.25515075      0.26733231     -0.00979844
 Li              6.01128002      2.28059004     11.72450002      0.81541514      0.31000914      0.72840015       3       0       0      -1      63      0.79062303      0.29775857      0.66511708
 Li              3.53864995      2.40176995      8.57882002      0.60366806     -0.61003778     -0.08859988       3       0       0      -1      60      0.57727072     -0.36107465     -0.13014892
 Li              8.52657999      1.28987002      1.82408994      0.40950106      0.22209755      1.33180715       3      -1       0       0      60      0.39928510      0.23919690      1.40856546
 Li              5.86973001      5.10614003      2.23785003      0.10448434     -0.22795102      0.28156323       3       0       0       0      64      0.10545075     -0.11830585      0.03942118
 Li              4.75374997      2.37088999      3.31110000      0.11460482     -0.51137603     -0.13369233       3       0       0       0      66      0.13420293     -0.75391017      0.15149719
 Li              9.45953001      2.69618998     10.93000005     -2.72745390     -0.45651660      0.95206470       3      -1       0      -1      66     -2.57484766     -0.29643500      1.02224503
 Li              8.90951994      0.44343503      6.83410002     -0.17008304      0.53102446      0.19363460       3      -1       0      -1      64     -0.16734323      0.54622675     -0.12988038
 Li              7.09304004      8.75342003      1.86175005      0.65525389     -1.32924715      0.72123666       3      -1      -1       0      64      0.79808101     -1.32664328      0.63424108
 Li             10.31609998     10.63840003      3.98628994      0.32917140     -0.62885822     -0.60556563       3      -1      -1       0      59      0.47265112     -0.85626476     -0.71785274
 Li             10.08770003      2.25378996      4.08665005      1.10921729      2.92409115      0.45019522       3      -1       0       0      63      1.11520688      2.87002189      0.41865440
 Li              3.10258001      3.55086998     11.19789996      0.46780311      1.11414501     -0.21118037       3       0       0      -1      64      0.25573848      1.22464359     -0.42153724
 Li              1.71648001     10.90469995      2.41446002      0.14924782      0.77255978     -0.37144079       3       0      -1       0      68      0.12948885      0.37267822     -0.22359155
 Li              6.69066003     11.93079996      3.79838997     -0.27941657     -0.18645243      0.11586961       3      -1      -1       0      62     -0.29703732     -0.18208630      0.09853977
 Li              9.50262999      8.95538000      6.99846999      0.31784070     -0.79748103      0.57896738       3      -1      -1      -1      62      0.32976226     -0.63799244      0.56119101
 Li             10.86900005      5.06772001      5.52076005      0.27026332      0.67136541     -0.39400277       3      -1       0       0      59      0.20601477      0.51885730     -0.37544084
 Li              7.08529995      3.36579995      7.11159003      0.33383058      1.21431858      0.11286720       3      -1       0      -1      65      0.38083232      1.11436043      0.26752270
 Li              0.01699407      1.89380003      0.01090337      0.35841680     -0.26611090      0.38805509       3       0       0       0      58      0.38398125     -0.11752829      0.26325459
 Li              9.67581999      7.68369006     10.52720000     -0.23011975      0.58836944     -0.86596706       3      -1      -1      -1      61     -0.15784420      0.59319198     -0.68025527
 Li              4.19760997      8.52826001      4.06676997     -0.09149115     -1.40766794      0.07982239       3       0      -1       0      61     -0.47502202     -1.48590045     -0.09101852
 Li              3.26592999     11.59490002     10.56349998      0.59081700      0.08577199     -0.48482083       3       0      -1      -1      64      0.47829619      0.00368149     -0.46469474
 Li              3.56858001      5.66182997      7.06899000     -0.32463701      0.56705132     -1.71491658       3       0       0      -1      60     -0.44623895      0.64658024     -1.73004282
 Li              0.59932002      8.75264002      5.43807996     -0.95018719     -0.18455959      0.08326909       3       0      -1       0      61     -0.90579994      0.04374130     -0.22308263
 Li              7.44825000     10.82650003     10.78490002     -3.23252445      2.23527013      0.48685634       3      -1      -1      -1      66     -3.24782929      2.22865778      0.74653346
 Li              8.99795994      5.38615002      1.04521000     -0.88042429     -0.83966342      0.74496800       3      -1       0       0      60     -0.79635215     -0.70394039      0.69195544
 Li             11.89590006     10.42429995      9.22146996      1.24134956     -0.28369826      1.23433504       3      -1      -1      -1      61      1.10915058     -0.45000952      1.18876783
 Li              2.05976006      2.22255003      5.84186005      0.46911496      0.10864265     -0.18599284       3       0       0       0      65      0.29563899      0.12573708     -0.14433644
 Li              6.34756003      4.88533003      9.84389994     -2.34134882      1.09286089     -0.40171169       3      -1       0      -1      59     -2.43993894      1.05483874     -0.52752823
 Li              0.68125001      5.60630000     11.17099999     -0.55261042      0.52887152     -0.31014982       3       0       0      -1      63     -0.54611160      0.41108733     -0.41455241
 Li              1.67246004      7.68735003      8.59694005     -0.29001970      0.46371084      1.30878213       3       0      -1      -1      61     -0.33671670      0.35980673      1.37727502
 Li             11.94500005      7.31448004      2.62718000     -0.37306755     -0.49059964      0.12265621       3      -1      -1       0      64     -0.38285828     -0.31704561      0.15930142
 Li              4.08288994     11.66110004      5.83831003      0.47628368      0.29120697     -0.10747622       3       0      -1       0      64      0.58672156      0.31227034     -0.10596901
 Cl              0.05285985      9.47423998      3.39110998      0.94302305      0.58615000     -0.89666974      17       0      -1       0      60      1.06134420      0.47948705     -0.99873825
 Cl              7.37849003      6.60518002      2.86973996      0.83506966     -0.04484555      0.43822377      17      -1      -1       0      61      0.75237163     -0.05700080      0.39963158
 Cl              1.58135998      4.19765005      0.32788402     -0.87329067     -0.86305705      1.33448792      17       0       0       0      60     -0.97415119     -0.98255577      1.42309308
 Cl              8.14233005      1.16034994     11.98110000     -0.32224661     -0.72019464     -2.51328003      17      -1       0      -1      64     -0.34866454     -0.71256476     -2.58915859
 Cl              2.64577999      6.65166003     10.68869996     -0.78069063      0.06344392     -0.63783018      17       0      -1      -1      68     -0.67655730      0.32297600     -0.44996672
 Cl              2.32219998      9.82422001      9.64249005      0.18418248     -0.51727285     -0.62241837      17       0      -1      -1      61      0.30391355     -0.37895650     -0.56702994
 Cl              4.21472997      4.61353005      8.65750996      2.85602652     -0.08334989      1.72293984      17       0       0      -1      59      3.01418159     -0.04495074      1.71284448
 Cl              4.10585001     12.04932537      3.77133005     -2.61788718      7.47003365     -5.18412804      17       0      -1       0      65     -2.24810388      6.91461150     -4.81805821
 Cl              4.13069000      1.84167006     10.83150002     -0.19584680     -1.49860894     -0.86066342      17       0       0      -1      60     -0.12398880     -1.31482108     -0.86814405
 Cl              2.15672004      8.12356998      6.63020999      0.78589433     -0.34162319     -0.53415075      17       0      -1      -1      63      0.79008853     -0.29543665     -0.40110703
 Cl              4.96209996      4.38541998      0.33544200     -0.28135318      0.74208225     -0.56081874      17       0       0       0      64     -0.07565502      0.62204647     -0.43243766
 Cl             10.36040002      6.63165002      0.11912804      1.41082497      0.15916581      0.38118063      17      -1      -1       0      60      1.50956085      0.12702083      0.34764077
 Cl              1.67384002     11.77940000     11.94360070     -1.25104617      0.62156808      1.76930422      17       0      -1      -1      63     -1.25107327      0.66846100      2.06053560
 Cl             10.44239999      7.62909001      5.21102003     -0.09048638     -0.60440193      0.46934920      17      -1      -1       0      63     -0.12726688     -0.65757484      0.68336702
 Cl              6.71288003      1.56461001      6.34533998      0.14236564     -1.81851013     -0.39018618      17      -1       0      -1      63      0.04021176     -1.77334533     -0.32844291
 Cl              7.00294000     10.72150004      1.84031006      0.13637919      1.90501833      0.34133092      17      -1      -1       0      63      0.09979235      1.83769052      0.35152443
 Cl              5.30089001     11.28759994      9.37214004      1.31210162      0.89860926      0.67888558      17       0      -1      -1      65      1.27615584      0.72612679      0.64434931
 Cl             11.25270004      2.93243003     10.39540006      2.64331156      0.50953403     -1.08163487      17      -1       0      -1      62      2.62634077      0.24417138     -1.15046072
 Cl              9.50096995      3.47315996      6.26293002      0.32202382     -0.18348212      0.07013939      17      -1       0      -1      64      0.41825719     -0.13090802     -0.04141988
 Cl              3.22646999      0.61794895      7.09921998     -1.71310364      1.66035074      2.17134223      17       0       0      -1      65     -1.83990575      1.68667045      2.05621228
 Cl              4.80038000     10.25249998      4.79862999      4.32623708     -7.55915396      3.10089802      17       0      -1       0      60      3.92901857     -6.69822423      2.51157815
 Cl              8.96986997      9.83462005     10.62529998      2.86826075     -1.92180614     -0.32667640      17      -1      -1      -1      58      2.81596833     -1.95606001     -0.38290820
 Cl              0.60947401      5.41313002      3.65926004     -0.24152739      0.49670448      0.15703696      17       0       0       0      61     -0.12200921      0.38253923      0.25803110
 Cl              0.68585406      1.92850002      3.99401005      0.00399854     -0.35167490      0.28328318      17       0       0       0      62      0.16652951     -0.13610459      0.23603119
 Cl              9.35694998     10.71859999      5.80186003     -0.99839770     -1.18762387      1.47394598      17      -1      -1       0      57     -1.02359550     -1.22760318      1.62580957
 Cl              1.88283998      3.51771003      7.84675004     -2.95917871     -0.15139204     -0.73609224      17       0       0      -1      64     -2.84442055     -0.52963857     -0.88151678
 Cl              9.59914996      0.47104200      3.80161997     -1.43250007     -1.33518116     -1.59632071      17      -1       0       0      59     -1.38620180     -1.12314544     -1.67113198
 Cl             11.17099999     11.95910001      8.23966006     -0.78130744      2.29390632     -1.00793480      17      -1      -1      -1      62     -0.63617072      2.17077114     -0.91276155
 Cl              6.01138996      7.82446005      0.40681600      0.12117846      0.12543248     -1.13126429      17       0      -1       0      63      0.23155765      0.16202315     -0.92016131
 Cl              4.34655002      3.73446001      4.88985997     -0.43883033      0.06874499      0.14024578      17       0       0       0      66     -0.41426479     -0.12372972      0.12029099
 Cl              6.96373997      2.95344006      2.10332997     -0.42827871     -0.25940116      1.04067205      17      -1       0       0      64     -0.62181442     -0.25604714      0.97709168
 Cl             11.53109999      8.43135997      8.98958005     -0.73661408     -1.84531598     -0.40829078      17      -1      -1      -1      61     -0.58827742     -1.82233735     -0.49184386
 Cl              4.89058005      6.87449005      5.41223995     -0.47579437     -0.32387184     -0.12833751      17       0      -1       0      62     -0.57052724     -0.08254059      0.01185776
 Cl             10.30599999      2.97617999      1.88506996      0.44927168      0.59623244     -0.69811717      17      -1       0       0      64      0.52051017      0.65766756     -0.45387706
 Cl              8.13470002      4.35435004     10.31490005      1.62035948     -0.53934920      0.42446386      17      -1       0      -1      62      1.43479483     -0.72050952      0.44236929
 Cl              7.42312002      7.08218995      8.20286001      0.01020125      0.35001173     -0.27667769      17      -1      -1      -1      65      0.06944316      0.69739059     -0.53272962
 72
 energy=-253.79557707036281 stress="-0.00901578       0.00047643      -0.00448911       0.00047643      -0.00497447      -0.00556661      -0.00448911      -0.00556661      -0.01671153" free_energy=-253.65067537 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="12.02441926       0.00000000       0.00000000       0.00000000      12.02441926       0.00000000       0.00000000       0.00000000      12.02441926" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.73384502      6.79707005      9.67171994      0.61763103      0.46763935     -0.53560900       3       0      -1      -1      65      0.55641129      0.39115421     -0.36805993
 Li              5.69995999      8.61170005     11.21289998     -0.68445986      0.15129730     -0.13434165       3       0      -1      -1      63     -0.75192821      0.17117731     -0.11201916
 Li              5.08636999     10.48699998      2.34376000     -2.17889152      0.99899966     -0.96652548       3       0      -1       0      65     -2.16486210      1.01977328     -0.92245987
 Li              3.70683999      8.10670005      7.79617003     -0.27618792      0.17871589      0.17411164       3       0      -1      -1      67     -0.17356391      0.01466300      0.05034223
 Li              5.84886006      4.91025998      6.48946003      0.65218861      0.14950527     -0.53806279       3       0       0      -1      62      0.69872445      0.24144190     -0.40398798
 Li              9.28662998      1.40830996      8.61749005     -0.11252943      0.51416339      0.01093970       3      -1       0      -1      63     -0.20241894      0.48138402      0.03738312
 Li              3.82908998      0.15277602      8.38714005      0.15855846     -0.35224756     -0.00767624       3       0       0      -1      65      0.11147681     -0.17083670      0.11253171
 Li              2.64405003      8.11617999      2.87317005      0.49995884     -0.10488502      0.11848898       3       0      -1       0      65      0.33428191     -0.30543590      0.30282283
 Li              9.03790006     10.55870003      6.13128000     -0.01913879      0.24952323      0.18524725       3      -1      -1      -1      65     -0.11204378      0.21547898      0.26322010
 Li              6.14802003      9.03706003      4.84725996     -0.11291725     -0.27784519      0.35054094       3      -1      -1       0      64     -0.12505727     -0.40247515      0.32262542
 Li              8.52209997      8.94907002      1.92153995      1.15097079      0.60200270      0.16202379       3      -1      -1       0      62      1.37105009      0.39887766      0.05422274
 Li              8.56546003      6.25200000     11.64590004     -0.27309205     -0.45017547     -1.86003758       3      -1      -1      -1      65     -0.21320378     -0.24921494     -1.44614592
 Li              2.85675996      3.86742996      8.29504996     -0.70357205     -0.95397548      0.32690307       3       0       0      -1      67     -0.57248576     -0.92228969      0.33364924
 Li             11.84030003      3.25045003     11.12470002     -0.80472111     -0.41149069     -0.86166664       3      -1       0      -1      60     -0.67255127     -0.36962059     -0.89247724
 Li              0.74650697      3.21364004      2.92005999      0.29028285     -0.09362117      0.43246602       3       0       0       0      65      0.35270220      0.07491820      0.53709003
 Li              0.58298305      2.18206006      6.68021999      0.98527680     -0.23909567      0.37518146       3       0       0      -1      63      0.91698680     -0.41739142      0.41622898
 Li             10.81300002      5.86346997      2.20654995      0.75504349      0.29982064      0.57539512       3      -1       0       0      60      0.78860654      0.33591184      0.47986350
 Li             11.88499997      9.33421999      3.79951003      0.39688538      0.57911889      0.03523348       3      -1      -1       0      77      0.15447143      0.38074617     -0.05424606
 Li              0.66180504     10.26769994      7.19637997     -0.74100844     -1.07241615     -0.81030152       3       0      -1      -1      68     -0.74901058     -0.93085627     -0.76588486
 Li              3.78624998      4.65522001      0.56968704     -0.94013549     -0.39295115     -0.15985902       3       0       0       0      59     -0.99419778     -0.38886850     -0.05286260
 Li              9.54887006      9.14080997      9.71923997      0.81349837      0.77938979     -0.17708731       3      -1      -1      -1      70      0.67651755      0.69669447     -0.01357946
 Li              0.33787704     11.68889997     10.06049996     -0.29171886      0.02405110     -1.10730488       3       0      -1      -1      67     -0.43772140     -0.01400229     -1.08143391
 Li              9.62635999      5.44478005      8.29668997      0.38592796     -0.28501748      0.86853669       3      -1       0      -1      67      0.12526417     -0.20800397      0.88370319
 Li              9.72105998      7.50227001      5.27943996     -0.71259661     -0.47710881      1.71940018       3      -1      -1       0      67     -0.70961058     -0.59018945      1.61189959
 Li             10.44220000      0.80793299      4.43406003      0.31406435     -0.22790729      0.31888085       3      -1       0       0      65      0.28977639     -0.23420650      0.21866877
 Li              6.67985998      9.44860997      8.51264998      1.58711634     -1.38795708      1.77410537       3      -1      -1      -1      72      1.82915640     -1.27404610      1.79170620
 Li              6.22250001      2.72600006     10.88969995      1.75560758      0.54365819     -0.08623462       3      -1       0      -1      64      1.82251433      0.51746754      0.05688837
 Li              3.37295001      0.60741402      4.46137002     -0.57907748      0.38121279     -0.10612061       3       0       0       0      67     -0.39886005      0.54095176     -0.03709500
 Li              6.84389001      5.88591006      2.57997996      0.71791093      0.92429302      1.17012433       3      -1       0       0      65      0.79144483      0.90808297      1.08915325
 Li             10.19789999     11.75269997      0.74737405     -0.26577159     -0.00587791     -0.20764047       3      -1      -1       0      66     -0.22852066     -0.19386631     -0.26003374
 Li              9.20658006      3.59959997      5.38975006      0.16104943     -0.75295728     -0.14314069       3      -1       0       0      67      0.13713537     -0.53656454     -0.25000299
 Li              2.57197001      9.44847001     11.05799997     -0.02845479     -0.29347016     -0.90486862       3       0      -1      -1      69      0.02907551     -0.23776142     -0.69814582
 Li              7.42106995      0.70202600      3.39058995      0.43615708     -0.16902562      0.47976280       3      -1       0       0      64      0.27034294     -0.28313621      0.48389528
 Li              2.77386999      6.19118998      5.94531995     -0.85619787      0.23093977     -0.63500169       3       0      -1       0      65     -0.61058273      0.33659611     -0.78529679
 Li              2.51006000      1.28678000      0.46973105     -0.30739725      0.15525753     -0.27551018       3       0       0       0      58     -0.16722808      0.31446731     -0.28105908
 Li              5.66868003      0.27292005      5.92366998      1.29013463     -0.36045508      1.35741003       3       0       0       0      63      1.37503095     -0.17786026      1.30938283
 Cl              1.17278995      3.48789997      0.59583499      0.83201038      0.83312423      1.22500806      17       0       0       0      63      0.75600064      0.76027503      1.38557882
 Cl              0.90107006      3.12501995      9.21429997      0.17664019      0.28175664     -0.47962246      17       0       0      -1      61      0.32106156      0.32937118     -0.54388036
 Cl              5.77631998      4.97526003      1.16417998     -0.04395016     -0.63716737     -1.26186211      17       0       0       0      62     -0.03359341     -0.58003335     -1.27609411
 Cl              6.17383995      6.40383006      4.67470005     -0.17043594     -0.24712938     -0.35620575      17      -1      -1       0      64     -0.24572158     -0.45470442     -0.45954310
 Cl              9.30664006     11.16850005      2.95485001     -0.02737957      0.72787137     -0.23379205      17      -1      -1       0      69      0.01924341      0.84088196     -0.36903790
 Cl              0.21666801      0.36446604     11.97686954      0.17843920      1.58386016      1.48153979      17       0       0      -1      67      0.22696895      1.45469143      1.52695216
 Cl              8.56658996      5.26863000      6.49363996     -0.44006161      0.48835669     -0.17681097      17      -1       0      -1      62     -0.37202970      0.28114640     -0.07329607
 Cl              6.57308001      9.31147003      2.30961005      1.14503809     -1.96021264      0.29973945      17      -1      -1       0      59      1.11524100     -1.83483013      0.27039108
 Cl             10.15120004      8.09013004      3.42420999      0.76061807     -0.07687846     -1.08085026      17      -1      -1       0      64      0.72400605     -0.08852901     -1.33925945
 Cl              7.91350996      8.64863005      6.56802001      0.30173786     -0.72000466     -0.09648325      17      -1      -1      -1      64      0.20511671     -0.51424958      0.00584807
 Cl              0.84466194      7.45171996      7.21956004      0.72417684     -0.36237633      0.63156934      17       0      -1      -1      66      0.64263633     -0.38238549      0.74359329
 Cl              5.48556003     11.61440003      4.05288005     -0.36975250     -0.11342793     -0.90679295      17       0      -1       0      66     -0.26706311      0.12156350     -0.98322175
 Cl              9.73654996     11.40389995      8.14347999      0.67805220     -1.13300288     -0.43940871      17      -1      -1      -1      67      0.71162690     -1.40434144     -0.44186538
 Cl              1.46591006     11.95324961      8.12639004      0.62295104      0.69416089      0.17533035      17       0      -1      -1      64      0.42622364      0.61408553      0.28826491
 Cl              4.41550996      9.85682001      9.38493995     -1.20431992      0.18043905      2.26676462      17       0      -1      -1      64     -1.04103420      0.24870311      1.73068614
 Cl              4.03829996      5.39188006      7.58345997      0.83516847      0.43452157     -0.48060456      17       0       0      -1      64      0.62874671      0.38841489     -0.66554444
 Cl              1.29722994      6.40418995      3.12877000     -0.45466446     -0.04941658     -0.43949403      17       0      -1       0      64     -0.42490314      0.01821227     -0.52665142
 Cl              8.79739003     11.62830002     10.92410001     -0.14805643      0.10534773      1.19183430      17      -1      -1      -1      66     -0.08170672      0.11515182      1.21219029
 Cl              4.01744000      9.15746006      0.55669201     -0.40253166      0.13524498      1.64656313      17       0      -1       0      59     -0.50834118      0.24540613      1.71846668
 Cl              7.76040003      8.30499006     10.58120000     -0.58963729     -0.43714095     -0.10027278      17      -1      -1      -1      62     -0.64135911     -0.19731497     -0.41455532
 Cl              3.53338005      1.70822002      2.34199001      0.03280657     -0.05060230      0.42798014      17       0       0       0      60      0.00257162     -0.08179587      0.52253994
 Cl              0.79176496     11.65250000      4.46113001      0.27166909      0.15750706     -0.24572595      17       0      -1       0      65      0.25294713      0.30484977     -0.32466685
 Cl             10.91420006      9.28863998      5.67490002      0.80691879      1.56809236      2.48557975      17      -1      -1       0      70      0.94371962      1.68045843      2.52904903
 Cl              0.37559404      9.71039998     10.84780001     -0.16852435     -1.77181030     -0.32680059      17       0      -1      -1      68     -0.10318819     -1.83636621     -0.38957002
 Cl              9.97931000      2.79072005      3.44839999      0.08420416      0.56385137     -1.19450977      17      -1       0       0      66      0.12007330      0.46994820     -1.10886875
 Cl              8.71363995      3.51445001      9.91916999     -0.31146925     -0.05449192      0.14488422      17      -1       0      -1      61     -0.32750143     -0.15323057     -0.00560477
 Cl              3.49665002      8.43110999      5.10231004      0.07703755      0.17447362     -0.10273759      17       0      -1       0      65     -0.04751190      0.15495548     -0.13138291
 Cl              7.80935997      1.00428996      5.90427003      0.05194661      0.12494596     -0.74391248      17      -1       0       0      58     -0.10593084     -0.01164528     -0.79012688
 Cl              5.71964998     10.43569996      7.25364001     -1.03161551      2.78979634     -4.31458116      17       0      -1      -1      68     -1.14461738      2.51492569     -4.08228877
 Cl              9.12804004      6.95780996      1.40544996     -1.34395183     -2.03133120     -1.51460088      17      -1      -1       0      62     -1.10542252     -1.73958770     -1.25019172
 Cl              4.35362004      1.64401997      6.63821004     -1.14211071      1.01217469      0.49304526      17       0       0      -1      69     -1.20773366      0.90031909      0.43869990
 Cl              3.32860996      7.13348997      9.93866001     -0.83327842     -0.62598677      0.90507466      17       0      -1      -1      64     -0.98931850     -0.61445358      0.78409093
 Cl             10.58130005      6.56267997     10.12379999     -0.23740921     -0.12423915      0.01638497      17      -1      -1      -1      64     -0.12419455     -0.19058540     -0.18868005
 Cl             10.57859996      2.30324997      6.53647996     -0.64996774     -0.18679981      0.68221240      17      -1       0      -1      63     -0.66251249     -0.09519524      0.48561952
 Cl              4.38201005      1.98402004     10.93799999     -1.42012826     -0.39639588     -0.24470784      17       0       0      -1      59     -1.40875663     -0.43817180     -0.14382740
 Cl              1.47374000      3.55255996      5.19118998      0.32943517      0.20178153     -0.25149701      17       0       0       0      63      0.39913358      0.04089961     -0.06430033
 72
 energy=-250.73115704615029 stress="-0.00638797      -0.00694947      -0.00252256      -0.00694947      -0.01392771       0.00216525      -0.00252256       0.00216525      -0.02386864" free_energy=-251.06622309 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.94339335       0.00000000       0.00000000       0.00000000      11.94339335       0.00000000       0.00000000       0.00000000      11.94339335" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              6.05835005      5.10148002     11.30819998      0.43563243      0.39643926     -0.15153083       3      -1       0      -1      65      0.37466123      0.35674859     -0.18799161
 Li              7.01999005      7.32209997      4.11107997      0.20353420     -0.10071878      0.68968588       3      -1      -1       0      61      0.17177114     -0.20044859      0.61310451
 Li              7.30538006     10.81589999      2.77580000     -0.17972470      0.90535219     -0.78097730       3      -1      -1       0      64     -0.14744490      0.74370843     -0.88988942
 Li              4.52945000      8.39336001      9.36152002     -0.23572086     -0.23379726     -0.01472681       3       0      -1      -1      70     -0.36002977     -0.17237778     -0.02248136
 Li              4.48452003      6.85218000      1.57207996      0.01586255      0.37097864      1.14622357       3       0      -1       0      65     -0.10459344      0.30067077      1.17634222
 Li              1.94777994      6.53156999      9.96395004     -0.15866054     -3.28236052      2.24265684       3       0      -1      -1      64     -0.15720288     -3.36779567      2.18793812
 Li             11.12519996      9.37603996      9.79391995     -0.66766906     -0.18208772     -0.03583050       3      -1      -1      -1      59     -0.68964526     -0.10651494     -0.06867856
 Li              4.05497994      6.84391003      6.11009003      1.05727690      0.97820827      0.53412835       3       0      -1      -1      65      1.17711608      0.89920788      0.43271904
 Li              2.14965004      3.37306999     11.79120000     -0.16365365      0.26128149      0.17597140       3       0       0      -1      62     -0.24533331      0.20406129     -0.04855514
 Li              4.63749005      1.93581995      1.90195995     -0.04709554     -0.18318033      0.46760621       3       0       0       0      68     -0.12726802     -0.11743109      0.38797672
 Li             11.05589997      6.45794005      5.86225996     -0.04978948      0.21158578      0.27288113       3      -1      -1       0      62     -0.12446910      0.42184365      0.32367764
 Li              0.80004098      1.15522998      2.54968994     -0.20908326      0.49534152      1.35759752       3       0       0       0      66     -0.11826535      0.54705316      1.30359584
 Li             11.13840004      1.24248005      6.53312001      0.72652369     -0.16125504     -0.02713670       3      -1       0      -1      64      0.75844695     -0.29572536      0.11841055
 Li              2.28896997      4.35284997      4.26593001     -0.06313876     -0.60579563     -0.08532377       3       0       0       0      67     -0.14408219     -0.65670385     -0.17203914
 Li              2.89959996     11.19460003     11.50800005     -0.03841927      0.14817531      0.22984644       3       0      -1      -1      68     -0.01403646      0.19979183     -0.11814337
 Li              3.34369999      1.00395006      6.26986003      0.26073368     -0.53099526     -0.51986759       3       0       0      -1      67      0.13883839     -0.46675914     -0.41001328
 Li              4.74245003     10.24940000      4.84113996      0.56579062      0.04996374     -0.90089258       3       0      -1       0      67      0.66114901      0.07815905     -0.79877665
 Li              1.05341004      6.82611999      1.13693998      0.25331491     -0.52057974     -0.16260738       3       0      -1       0      64      0.23503678     -0.54221031     -0.09780811
 Li             10.56200005      4.10299000      1.45348004      0.12558224     -0.04226859      0.10946292       3      -1       0       0      66      0.02903119     -0.02280474     -0.13820806
 Li              5.07300004      1.75980001     10.07820006     -1.68214004      0.05505191     -0.18769042       3       0       0      -1      68     -1.44889988      0.11420697     -0.26389426
 Li             10.53270004      5.05376998      9.84423997     -0.57254152      0.18300520     -0.26485236       3      -1       0      -1      61     -0.34944871     -0.00030717     -0.15809939
 Li              9.49855995      8.29256995      1.41414997     -0.22347354     -1.21807458      2.18703381       3      -1      -1       0      61     -0.16228488     -1.00200066      2.27501186
 Li              7.05406001      4.02530001      3.10334004      0.21288683      1.80211143      0.41739873       3      -1       0       0      65      0.16358256      2.04342389      0.52294364
 Li              1.67612997      9.70110999      7.35407996     -0.46933030     -0.19830800      0.07005339       3       0      -1      -1      61     -0.46975922     -0.32871296      0.13978981
 Li              7.42651999     10.22430001     10.93749998      0.13342067     -0.06599279      0.17694341       3      -1      -1      -1      66      0.12787463      0.14861222      0.13920946
 Li              0.28698995      1.44649996      9.65533001      1.01173849      0.92076197      0.69537003       3       0       0      -1      69      1.02977444      0.88827421      0.68110206
 Li              8.40576000      7.35660002      8.39551006     -0.16316437     -0.53453055      0.42332076       3      -1      -1      -1      69     -0.12897874     -0.47880507      0.40638683
 Li              0.97902898      9.79399997      3.74029004     -0.04566218      0.05871270      0.65402503       3       0      -1       0      67     -0.19129004      0.08036979      0.68761304
 Li              7.80126999      1.85253998      0.46167498     -0.79870944     -1.73057174     -1.91441457       3      -1       0       0      65     -0.91085356     -1.64717526     -1.96883661
 Li              9.43356997      2.75575003      4.76682996      1.29835115     -0.46640922     -0.95050743       3      -1       0       0      66      1.34376484     -0.36689155     -1.10349414
 Li              6.26827000      1.78149996      5.02909003      0.66102366     -1.48409211      0.76629510       3      -1       0       0      66      0.45445926     -1.55613556      0.97249846
 Li              9.67811000      9.54629996      5.31890006     -1.77168258      0.87560141     -0.64672666       3      -1      -1       0      68     -1.86032062      0.63218812     -0.71455910
 Li              7.03395999      3.34210005      7.35466005     -0.84682489     -0.56465788      3.19339059       3      -1       0      -1      66     -1.09123968     -0.48118741      3.15404185
 Li              2.64012998      3.55998995      7.86429002     -0.98662926     -0.54536590     -3.76002556       3       0       0      -1      67     -0.88607468     -0.66423441     -3.45880751
 Li              9.15401001      0.96817996      9.03853006     -0.73083211      0.47231446      0.29912900       3      -1       0      -1      68     -0.58214067      0.47989890      0.44030058
 Li              6.06949002     11.12720000      8.38581000     -0.06285359      0.13029564      0.00916045       3      -1      -1      -1      64     -0.30800968      0.24257261      0.18099174
 Cl             11.54900005      9.00408997      5.64203000      2.14442557     -0.47010541      0.45967168      17      -1      -1       0      64      2.08567354     -0.63410644      0.16287897
 Cl              0.11576600      8.66775995      2.17770997      0.03695699     -0.41613963     -0.45531881      17       0      -1       0      62      0.10384844     -0.55170754     -0.43503136
 Cl             10.50919998      0.26275800      4.51566995     -0.28034980      0.02792900      0.32504184      17      -1       0       0      62     -0.34540001      0.06301211      0.52170807
 Cl              8.04630996      8.99113999      3.22211995      1.41226326     -1.20887600     -0.09847664      17      -1      -1       0      64      1.47765401     -1.28023878     -0.03120106
 Cl             10.65059997      3.41081995     11.36680000     -2.13076424     -5.15522673      1.05370268      17      -1       0      -1      66     -1.84957380     -4.93240735      1.21511126
 Cl              1.47241999      1.09814999      0.61258596      0.20906470     -0.04078599     -0.09965313      17       0       0       0      73      0.16445592     -0.06319510     -0.07775362
 Cl             11.03289998      0.02994949      8.80272997     -0.16756469     -1.50343055     -0.75728807      17      -1       0      -1      69     -0.35814309     -1.24745122     -0.80441269
 Cl              3.15644000      4.13996005      9.48942003      1.09543272      1.53001660      4.03451093      17       0       0      -1      65      1.07222892      1.55677606      3.90695666
 Cl              1.90677995      4.49508002      2.22200002      0.58093766      0.99861718     -1.87171397      17       0       0       0      62      0.54711305      1.05884338     -1.72302892
 Cl              1.60605999      1.79787005      7.33235003     -1.16840970     -0.05760296     -0.76033939      17       0       0      -1      61     -1.11316384      0.04508542     -0.82861796
 Cl             10.83020006      6.78240000      8.22290999     -0.27724930     -0.05145344     -0.11303800      17      -1      -1      -1      65     -0.24163277     -0.27633795     -0.12132952
 Cl              5.53685002      1.12286995      7.05636998     -0.41273420      0.65647387      0.53055050      17       0       0      -1      69     -0.25179399      0.59033204      0.47286001
 Cl              5.89492000      6.15069995      2.82277002      2.06121486     -2.71791219     -1.59610992      17       0      -1       0      66      2.20623065     -2.52392441     -1.90106608
 Cl              6.88929003     11.44690004      4.68919002     -0.26304379      0.35235524      1.03658503      17      -1      -1       0      65     -0.21174949      0.40587560      1.02864714
 Cl              3.52066000     10.36380004      6.52632003     -0.31654563      0.23234430      0.74066550      17       0      -1      -1      62     -0.36139364      0.12483524      0.56817705
 Cl              9.24000997      5.86523004      4.69899005      0.40055703      0.74092042     -0.45262764      17      -1       0       0      62      0.57314028      0.72315689     -0.45770241
 Cl              5.45989002      3.07183002      3.78382001     -2.51546267      0.44850894     -1.00121419      17       0       0       0      63     -2.37948757      0.36044387     -0.88010724
 Cl              7.77611995      3.51799996      5.65997005      0.47118559      0.00420321     -1.79489154      17      -1       0       0      67      0.47388717     -0.23069398     -1.58276487
 Cl              3.63691006      0.61130670      3.75211006     -0.75917613     -0.75417069     -0.09740769      17       0       0       0      69     -0.58107778     -0.72756448     -0.01667102
 Cl              7.96076003      6.42543001     10.65390004     -0.33161806     -0.44731429      0.27400881      17      -1      -1      -1      63     -0.53700176     -0.43799245      0.27372388
 Cl              8.52878997      9.50624003      8.77781999     -0.35119026      1.11126255     -0.28495127      17      -1      -1      -1      66     -0.34632194      1.15722546     -0.30144639
 Cl              4.75128002     10.37540006     10.39679999      0.77828129     -0.58392400     -0.27344671      17       0      -1      -1      66      0.88724521     -0.76542176     -0.33842547
 Cl              6.97553996      1.12959002      9.83122000      1.62735336     -0.98424740     -0.03880345      17      -1       0      -1      65      1.50947533     -1.06838231     -0.20829072
 Cl              2.78548000      5.28863000      6.08190995     -0.82292963     -0.88821722      0.83037145      17       0       0      -1      68     -0.95996810     -0.91704542      0.80179830
 Cl              9.76144001      9.31810005     11.78380000      0.31340157      1.70758066     -2.22698227      17      -1      -1      -1      64      0.22614083      1.74034084     -2.11525769
 Cl              4.49228001      7.82676006      4.24515006     -1.12035560      2.33664957      0.86297109      17       0      -1       0      63     -1.09615310      2.45956743      1.02113231
 Cl              2.51030004      0.56231395      9.87237001      0.38986420      0.11589786     -0.58371658      17       0       0      -1      65      0.30329514      0.23465989     -0.37287042
 Cl              5.27183998      3.04367001     11.85713219     -0.18957001      0.20982090      0.64968399      17       0       0      -1      66     -0.20588802      0.27295975      0.71862471
 Cl              9.34680003      3.19094005      8.98935994     -0.82990524     -0.06871537     -2.32827209      17      -1       0      -1      66     -0.80873822     -0.01083837     -2.59808995
 Cl              8.29996996      3.14214997      1.79201994      1.89906565      1.06491497      1.20839556      17      -1       0       0      64      1.95774500      0.93609736      1.19071427
 Cl              0.49452098      2.88468003      4.12796005     -1.18146357     -0.46918666      0.79586980      17       0       0       0      65     -1.03904396     -0.44268664      0.81251975
 Cl              0.09011923      5.29285999     11.45430005      3.75048453      4.97496268      0.40595222      17       0       0      -1      64      3.91699808      4.96603892      0.37181578
 Cl              6.55929001     11.67740001      0.92074402      0.19278749      0.27194724     -0.11908516      17      -1      -1       0      63      0.29141173      0.20406867      0.01498460
 Cl              3.38115997      6.89471997     11.90070002     -0.74858731      0.28633954     -1.56167898      17       0      -1      -1      63     -0.84517324      0.31554747     -1.50118835
 Cl              5.94652000      7.27957003      7.97939997     -0.45735526     -0.11492292     -0.48918374      17       0      -1      -1      69     -0.50795294     -0.12657573     -0.46810773
 Cl              1.94283000      8.04358006      8.90779994      0.16612555      3.19734746     -1.91885194      17       0      -1      -1      67      0.19927848      3.11513375     -1.84166755
 72
 energy=-255.02300565954980 stress="-0.01663428       0.00317088      -0.00201627       0.00317088      -0.01412688       0.00266404      -0.00201627       0.00266404      -0.00915993" free_energy=-255.05229324 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.73085483       0.00000000       0.00000000       0.00000000      11.73085483       0.00000000       0.00000000       0.00000000      11.73085483" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.60427994      6.83163001      6.93519996      0.78837416     -2.23010239     -3.43136652       3      -1      -1      -1      65      0.76938998     -2.17643055     -3.44931473
 Li              0.42096700      7.18751000      1.21289003      0.11295981      0.15700221     -0.53713057       3       0      -1       0      69      0.14860717      0.07313951     -0.32520041
 Li              5.62889995      1.93978999      2.93855004     -0.54951081     -0.18426621      0.21640507       3       0       0       0      66     -0.45910019     -0.16139204      0.41698971
 Li             10.93039995     10.61270001     11.66159997      0.24882069     -0.48448978      0.68908273       3      -1      -1      -1      70      0.13980165     -0.39263282      0.75766835
 Li              3.73776004      0.07895170     10.91399998     -0.43895335     -1.86006495      0.56245647       3       0       0      -1      66     -0.54728295     -1.79685427      0.57914683
 Li              2.41484996      5.71985994      3.28548996     -0.96592720      1.12067284      0.42369960       3       0       0       0      67     -1.02309545      0.92976870      0.39152536
 Li              7.79229997     11.20170002      0.58821204     -0.74897322      1.61495759     -3.02865498       3      -1      -1       0      72     -0.46091043      1.57764081     -2.92002441
 Li              0.00386942     11.52159996      6.20422999      0.25653323      0.02726151     -0.25364895       3       0      -1      -1      75      0.24433047      0.11646131     -0.38288389
 Li              3.13985996      2.67192003      5.17963003     -0.73151375      0.64931616      0.16093079       3       0       0       0      66     -0.66256725      0.66386723      0.19635091
 Li              9.94420998      1.94631000      3.32253001     -0.34895850     -0.14821823      0.01900748       3      -1       0       0      73     -0.35174272     -0.21618571     -0.00824576
 Li              7.42727003      2.67564000      6.26159997     -0.06950688      0.55511158     -0.05614266       3      -1       0      -1      67      0.17360908      0.62085173     -0.21049481
 Li             10.01750002      5.66109997      9.46033005      1.22194014     -0.38776685     -0.37758348       3      -1       0      -1      71      0.98123268     -0.42745756     -0.39975083
 Li              3.60780997      0.03814944      6.77504001     -1.84544257     -0.00262227      0.42786104       3       0       0      -1      71     -1.87504469     -0.11124449      0.48068693
 Li              3.98385003      8.36856003      6.47358003      0.09708642      0.14063804     -0.12175846       3       0      -1      -1      66      0.11899015      0.24124363     -0.30662532
 Li              7.13847996     11.22259994      5.59377003     -0.17374673     -0.32914447      0.06808788       3      -1      -1       0      70     -0.17239399     -0.19859671     -0.01866213
 Li             10.23009994      5.35454001      3.50203004     -0.51164631      0.33888235      1.52587657       3      -1       0       0      66     -0.61145367      0.40257157      1.54805856
 Li              5.51778998     10.26900004      3.07609995      0.84359343     -1.39940824      0.61165243       3       0      -1       0      71      0.86346296     -1.35606551      0.61187405
 Li              6.04632998      5.87382999      9.54608999      0.24376271     -0.03130265      0.21575522       3      -1      -1      -1      76      0.31582815     -0.02714068      0.41339594
 Li              7.71608003      4.59561998      0.98435398      2.41419433     -0.09845481      0.80588191       3      -1       0       0      68      2.29930659     -0.10822593      0.60962136
 Li              0.08026016      3.75123997      0.41177799     -0.88363698     -0.21703832     -0.51178329       3       0       0       0      71     -0.91249331     -0.25482694     -0.58563376
 Li              3.00045001      7.73289000     10.72499996      0.43262396      0.06461901     -0.03118213       3       0      -1      -1      66      0.42061888     -0.03580522     -0.09635396
 Li              1.36334001      2.05769998      9.45696998      0.18501462     -0.13905542     -0.05324952       3       0       0      -1      66      0.14071278     -0.11187781      0.01474383
 Li              9.07739002      2.36375000     10.43090003      0.16771733     -0.21280508     -0.23738082       3      -1       0      -1      71      0.30272018     -0.21601952     -0.28922440
 Li              2.16668994      0.83690194      1.63145995     -0.25036625     -0.18783222      0.19541506       3       0       0       0      69     -0.27709217     -0.18950311      0.17061680
 Li              9.01094000      8.58904004      3.68188997      0.44814611      0.53055367      0.01187615       3      -1      -1       0      67      0.41684532      0.39550500      0.17065518
 Li              0.03272040      7.15311995      6.65861996      1.03652300      0.62249235     -0.77499184       3       0      -1      -1      62      0.90834215      0.58445947     -0.87654636
 Li              3.74433003      4.20279002     11.56219998      0.43507813     -0.70790765      0.62157590       3       0       0      -1      73      0.47671036     -0.81121862      0.58357428
 Li              3.68505003      4.60433002      7.54613995      0.94905899      0.81141097      0.38829590       3       0       0      -1      69      0.89259613      0.65449288      0.32793488
 Li              5.52088998      5.74565996      3.62928999      0.66474610      1.28926742      0.77542388       3       0       0       0      71      0.72409992      1.19315923      0.89342185
 Li              8.87844997      9.82589997      8.14572001     -0.14495666     -0.24529469      0.10417748       3      -1      -1      -1      67     -0.04511063     -0.36692446      0.13043421
 Li              7.41016996      7.43835005      0.79356300      1.10109576     -0.25734525      0.16680480       3      -1      -1       0      72      1.05741047     -0.35690472      0.24054379
 Li              6.08376994      1.84229004      9.15742002      1.22779022     -0.07944705     -0.61097229       3      -1       0      -1      71      1.32716235     -0.10441032     -0.62840568
 Li              1.21547000      9.51399003      3.19431001      0.29864093     -2.89018697     -0.38953805       3       0      -1       0      67      0.23972905     -2.95054141     -0.28757573
 Li              1.09365997      9.89957994      9.03340001      0.13562315     -0.03567713      0.79529017       3       0      -1      -1      71      0.30407903      0.03452822      0.90888027
 Li             11.28140003      3.76901996      6.71821000      0.14140391      0.31502618      0.27387993       3      -1       0      -1      73      0.00912878      0.30382826      0.29100473
 Li              5.69085998      9.25860005      9.12020001      1.22599362      0.27026425      0.34207322       3       0      -1      -1      66      1.11895795      0.15910650      0.25748288
 Cl              1.89086001      4.09532999      6.72077003     -1.19161195      0.75407239     -0.59651250      17       0       0      -1      73     -1.26368268      0.53736166     -0.66630109
 Cl              6.62293998      4.87056998      7.44533003     -1.08564984      0.05006520     -0.47220178      17      -1       0      -1      64     -1.24171759      0.03218199     -0.37638852
 Cl              0.85976303      7.97758003     10.25319999     -0.66656551     -0.40839275      0.19617792      17       0      -1      -1      69     -0.46734399     -0.20955469      0.23593804
 Cl              1.81633999      1.37038004      7.19704003     -0.79861253     -1.37680397      0.56826660      17       0       0      -1      67     -0.85132685     -1.26994865      0.62202420
 Cl              0.22865700      6.59843000      4.38892994      0.16212772      0.00549684      1.63609271      17       0      -1       0      68      0.06331021      0.01973594      1.50800772
 Cl              4.34206999     11.70107911      2.28058997     -0.73322957      1.22522635     -1.15046957      17       0      -1       0      66     -0.71202570      1.29162653     -1.10476397
 Cl              4.59296998      1.18835002      5.39180002      0.59599683      1.37018928     -1.47531314      17       0       0       0      67      0.62480100      1.36959328     -1.49717246
 Cl              4.05760004      4.37324004      3.26712002      0.17815509     -2.27120863     -0.83468435      17       0       0       0      73      0.24092689     -2.14179284     -0.86594170
 Cl              1.18603001     11.39879996     11.01950002      1.02097775      0.66445045      0.15228057      17       0      -1      -1      66      1.00116346      0.64383228      0.22575040
 Cl              8.70572005      5.80370998     10.93169996     -0.77754003      0.46586586      1.63905626      17      -1       0      -1      68     -0.68991609      0.44109568      1.80634242
 Cl             10.20040000      6.05019002      7.41652996     -0.76154083     -0.37800330     -0.48121924      17      -1      -1      -1      70     -0.54754419     -0.26465386     -0.57065249
 Cl             11.32540000      3.52540001      9.80492004     -0.11586148     -0.02084261     -0.07322566      17      -1       0      -1      67     -0.02089082     -0.04134506      0.07534160
 Cl              6.82001001      0.34993797     10.65849997      0.35558151     -0.44681551      0.16339755      17      -1       0      -1      67      0.26876813     -0.51706845      0.12731950
 Cl              8.23676001     10.35169999      2.13450998      0.37824472     -1.83121462      3.30285107      17      -1      -1       0      69      0.31090036     -1.92356832      3.15998571
 Cl              5.91733997      8.72731996      4.97660999      0.20446061      0.18011173     -0.83792825      17      -1      -1       0      73      0.19201061      0.15103948     -0.69361592
 Cl              3.72445995      5.42988998      9.91105002     -0.45671029      1.02279905     -1.44406073      17       0       0      -1      70     -0.61167963      1.22562788     -1.53624453
 Cl              7.45164005      1.75468003      4.21250000     -0.64415893     -0.95885493     -1.19908165      17      -1       0       0      76     -0.66566299     -1.10999460     -0.98796876
 Cl              0.93698396     11.32730005      3.56996999     -0.43587733      3.78123908      0.62525212      17       0      -1       0      67     -0.37270857      3.71299875      0.50188891
 Cl              5.33367997     10.86580001      7.16434004      3.36645642     -0.26615578      0.50313168      17       0      -1      -1      67      3.21879561     -0.25363806      0.31295213
 Cl              9.83884004     10.88790000      9.86441002     -0.18807391     -0.04274528     -0.49474404      17      -1      -1      -1      70     -0.26243541     -0.05983078     -0.59733700
 Cl              3.50106999      6.37288003      5.44114996      0.55727879      0.76996789      0.44256109      17       0      -1       0      74      0.63015940      0.80509344      0.72865427
 Cl              1.33505996      9.90120994      6.92965995     -0.47399486     -0.75898789     -1.06447455      17       0      -1      -1      70     -0.37985123     -0.86931427     -0.84466212
 Cl              8.26040003      6.48504002      3.49031995     -0.90725613     -0.63673718     -0.56409314      17      -1      -1       0      67     -0.89807995     -0.45554329     -0.54218324
 Cl              4.32090999      1.78896005     10.17300001     -1.70101823      2.22199001     -0.56275935      17       0       0      -1      69     -1.77914862      2.30610384     -0.76947173
 Cl              9.29808998      9.80252999      5.91572005     -0.01570858      0.45451995     -0.10997225      17      -1      -1      -1      67     -0.04992350      0.61293705     -0.00577456
 Cl              9.81626002      2.18645995      0.99163403     -0.21743045      0.02749667      0.18181726      17      -1       0       0      69     -0.15679879      0.09063885      0.15467689
 Cl              3.72143996      9.42177999      8.77015998     -2.12352179     -1.25351445      1.64479540      17       0      -1      -1      67     -2.18233896     -1.29053294      1.82114951
 Cl             11.45170002      5.22172995      1.93704004      0.60747172     -0.82044658     -1.87131776      17      -1       0       0      69      0.61814117     -0.87363308     -2.07447205
 Cl              2.04286995      3.04192996      0.64763797      0.53199110     -0.78341624      0.41560347      17       0       0       0      66      0.35864189     -0.73471952      0.25465032
 Cl             11.08990004      8.66778998      2.31152999     -1.70055704      0.94698987     -0.50874918      17      -1      -1       0      71     -1.56367823      0.99787832     -0.72153147
 Cl              2.32478996      8.03589997      1.97105002      1.49053613     -0.63818548     -0.36411033      17       0      -1       0      69      1.74938231     -0.31986952     -0.53060864
 Cl              8.20439998      2.49712994      8.26653996      0.19680310     -0.93470196      1.02192571      17      -1       0      -1      66      0.11188501     -1.04642104      1.07889033
 Cl              6.05855001      4.56678002      0.04324521     -2.05431279     -0.62775843     -0.26109760      17      -1       0       0      69     -2.03719239     -0.56285320     -0.16169237
 Cl              7.31455000      7.84113998      8.41231999     -0.53787674      2.82632222      3.50482518      17      -1      -1      -1      69     -0.59611304      2.94610650      3.54757883
 Cl              5.65123995      8.08933003      0.03103585     -0.97514142      0.58934262     -0.54962024      17       0      -1       0      72     -0.93021296      0.56386296     -0.72807534
 Cl              9.63340004      2.93219004      5.41174998      1.90258718      0.71959465     -0.06852544      17      -1       0       0      72      1.89600136      0.61620209     -0.09596132
 72
 energy=-253.72963657489512 stress="-0.01409452      -0.00333882      -0.00501332      -0.00333882      -0.02139733      -0.00450803      -0.00501332      -0.00450803      -0.01900089" free_energy=-253.60698553 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.65127569       0.00000000       0.00000000       0.00000000      11.65127569       0.00000000       0.00000000       0.00000000      11.65127569" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.27362006      2.64750003      3.10471998     -0.10534874     -0.14052807      0.12479862       3      -1       0       0      69     -0.27529383     -0.23463472      0.09369204
 Li              5.91379000      0.93526002      8.81541997      0.79658937      0.51803165     -0.96575719       3      -1       0      -1      68      0.71358743      0.45115744     -0.88065271
 Li              9.66962998      0.98175804      1.53556998     -0.55590673      0.24774700     -0.63541099       3      -1       0       0      67     -0.46258130      0.32334635     -0.54850856
 Li             10.75949998      0.08369181      9.25618004     -0.33946833     -0.79153472     -0.38555310       3      -1       0      -1      77     -0.48378163     -0.77067701     -0.32191337
 Li              5.39719003      0.71559502      0.64416105      0.67882052     -0.36860389     -0.16548956       3       0       0       0      77      0.60576898     -0.11816951     -0.31263877
 Li              2.44296002      5.40937004      9.83856999     -0.05209938      0.25616128     -0.13565848       3       0       0      -1      73     -0.03635935      0.15747336     -0.28931560
 Li              3.55167002     10.08540005      7.86388999      0.30397132     -0.25618081      0.13530241       3       0      -1      -1      75      0.30288686     -0.27006719      0.23627032
 Li              9.61071997      7.72473997     10.40250000     -1.13563580     -1.41388500      0.78154726       3      -1      -1      -1      77     -1.17155989     -1.15645579      0.62151345
 Li             11.24430001      8.03269997      7.23649000      1.60409459      0.73984423     -0.30741353       3      -1      -1      -1      68      1.53578833      0.82171838     -0.18238406
 Li              8.70254998      5.12157001      7.27939000      0.20910687      0.21202709     -0.32517365       3      -1       0      -1      71      0.05139372      0.15978965     -0.38382505
 Li              0.01293839      9.58154005      2.80797002      0.32778062     -0.27884373      0.58920684       3       0      -1       0      72      0.18910293     -0.32300046      0.82070152
 Li              4.80876006      8.94973995     10.30779995     -0.41862346     -0.40518723     -0.07650978       3       0      -1      -1      72     -0.30654086     -0.21734033     -0.10031453
 Li              0.59524096      2.95991000      8.36064004     -0.11620513      0.67667378      0.37072685       3       0       0      -1      69      0.02615471      0.64708977      0.40412583
 Li              6.09277002      6.55142004      8.69013998      0.39455745      0.56543528     -0.26040327       3      -1      -1      -1      73      0.35647325      0.44450647     -0.29779198
 Li              3.94417994      7.98739002      1.80785004      1.17886604     -0.52785625      0.57469861       3       0      -1       0      68      1.46080613     -0.33864270      0.64583772
 Li              7.87034002      8.74566005      6.85865999     -0.30091908     -0.02111411     -1.31253994       3      -1      -1      -1      73     -0.38600859     -0.03698723     -1.08652073
 Li              8.67139995      3.08052004     10.33129999     -0.84293898      0.58506099     -0.13750581       3      -1       0      -1      73     -0.87444981      0.41993076     -0.06365688
 Li              1.20531002      8.97344005     10.29810003      0.50893610     -0.40458384     -0.08983086       3       0      -1      -1      70      0.51219697     -0.37818188     -0.16686656
 Li              4.44688006      3.75053003      7.09229999     -0.33348438     -1.07459043     -1.70737150       3       0       0      -1      71     -0.30432643     -1.02237865     -1.46324211
 Li              6.11423994      5.50111999      4.62351002      0.91096805      0.90801390     -0.24335034       3      -1       0       0      72      0.89304406      1.00193758     -0.33963292
 Li             11.25560000      3.37805995      3.79346999     -0.86034571     -1.11653713     -0.51585908       3      -1       0       0      70     -0.86018502     -1.23807350     -0.64746566
 Li              1.17494004      2.08322001      1.15379997      0.39439001      0.82004582     -0.79681424       3       0       0       0      70      0.41986296      0.76707029     -0.75985428
 Li              4.83181001      3.56184997     10.26750005     -0.39636103     -1.41336262      1.91494914       3       0       0      -1      71     -0.31493792     -1.33850231      1.98420036
 Li              3.06788995     11.14030002      1.79551005      0.09513417     -0.20376697      0.74074079       3       0      -1       0      68      0.17266657     -0.18740045      0.53057914
 Li              7.54003999      5.55987003      1.09912997      0.52585441     -0.78409736      1.29073856       3      -1       0       0      75      0.47100194     -0.74597845      1.14559634
 Li              8.72822998     10.80319996      4.10952005     -0.49683575     -0.44208348     -0.05528412       3      -1      -1       0      76     -0.49953932     -0.36563054     -0.03120883
 Li              2.26459997      5.19243004      5.24066003      2.76207723      0.29436723      1.88808185       3       0       0       0      75      2.63689715      0.51493443      1.83805806
 Li              9.63152996      6.62814998      3.98319995     -0.00998925      0.10907000     -0.02726763       3      -1      -1       0      70      0.23858049      0.07344282      0.03483264
 Li              7.64361995     10.41880002     10.13340004     -0.41136817     -0.53799299     -2.07067741       3      -1      -1      -1      70     -0.45461921     -0.53086131     -2.14101343
 Li              8.28744998      1.61629001      6.50737997     -0.20681579      0.44746218     -0.28690312       3      -1       0      -1      68     -0.49751331      0.44429384     -0.01951353
 Li              3.78400997      9.11502996      4.76470996      0.72887564      0.21635968      1.08603340       3       0      -1       0      70      0.70617102      0.22415480      1.13169322
 Li              0.55080206      5.67728005      0.91688199      1.15821151     -0.41476013      0.52961721       3       0       0       0      69      1.14398051     -0.50419208      0.44828991
 Li              6.87465999      8.86715000      1.87894996      0.03924753     -0.21397772     -0.14949453       3      -1      -1       0      73     -0.11027549     -0.29085297     -0.16703044
 Li              1.03418995      0.38939297      5.83295997      0.42250080     -0.63499379     -0.39554964       3       0       0      -1      70      0.21275658     -0.72960866     -0.52691027
 Li              2.88737999      0.75714697     10.50369995     -0.87354640     -0.68748955     -2.78350895       3       0       0      -1      71     -0.65452323     -0.79761925     -2.72304221
 Li              5.26589005      0.39824200      5.11834005     -0.73520789     -1.22764166     -0.74045095       3       0       0       0      73     -0.58583309     -1.17934445     -0.80570574
 Cl              6.57295999      2.39293003     11.05550006     -0.09799119      0.21630987      0.11929292      17      -1       0      -1      74     -0.13540054      0.34584590     -0.15646758
 Cl              8.47039995      0.09443813      7.92880997      0.22646909     -0.93040160      0.82060449      17      -1       0      -1      74      0.09881902     -0.69377269      0.97367496
 Cl              5.99389998      1.80337000      6.30300995     -0.41097703      0.70569706      0.78038514      17      -1       0      -1      70     -0.19740185      0.65325839      0.59503871
 Cl              5.28158001     10.18419995      6.49212996      0.30344164      0.07421301      0.14204145      17       0      -1      -1      76      0.24483295      0.14818846      0.10732144
 Cl              4.89271997      4.74389997      8.75659000      0.26904019      2.37572493     -0.11601976      17       0       0      -1      67      0.45618806      2.37275263     -0.09829674
 Cl              1.51787006     10.66120003      7.55231997     -0.85572151      0.48676418      0.24270603      17       0      -1      -1      77     -0.51759288      0.59379574      0.39885212
 Cl              7.73203006      3.38390004      7.80449995      0.95037253      0.60610591      1.14508794      17      -1       0      -1      74      0.95232187      0.40195551      0.86974619
 Cl              6.14535002      6.65640002      2.10737998     -1.00226635     -0.10288212      0.86620048      17      -1      -1       0      71     -0.83142942      0.20441367      0.75465879
 Cl              7.33935003      8.78923000      8.82872002     -1.28894750     -0.77596030      1.70130795      17      -1      -1      -1      74     -1.44843864     -0.88863468      1.63360033
 Cl             11.57373062      1.05370001      2.45561005      1.66191201     -2.27230278      0.63232538      17      -1       0       0      72      1.52670948     -2.25875210      0.88498196
 Cl             10.65940003      6.89183000      0.63092695     -0.95888530      1.33139290      0.21861306      17      -1      -1       0      71     -1.07150151      1.30734955      0.21521959
 Cl              9.46854003      7.11726996      7.28687000     -1.29065188     -1.15498074     -0.21771475      17      -1      -1      -1      71     -1.32140293     -1.18439051     -0.17628407
 Cl             10.74160001      9.05171996      9.43453998      1.12280110      1.70871183     -0.49789915      17      -1      -1      -1      75      1.25925280      1.58438605     -0.38116790
 Cl              5.11061001      9.49238006      0.78544302      0.65603172      1.29780499      0.17900314      17       0      -1       0      67      0.67047777      1.03532652      0.04833674
 Cl              2.15536005     10.67999995     11.52969999     -1.84677261     -1.22462496     -0.24099291      17       0      -1      -1      68     -1.86996863     -1.35243945     -0.26578787
 Cl             11.11450002      8.18081005      4.73385005      0.70440996      0.14841493     -0.17038307      17      -1      -1       0      66      0.74448168      0.17582569     -0.35200879
 Cl             10.11780003      3.25943004      1.88931005     -1.60226029      1.21519723     -1.19688940      17      -1       0       0      67     -1.55186346      1.34661002     -0.85593230
 Cl              2.68535002      9.04282001      2.99274003     -1.91472577     -0.64518336     -0.44951713      17       0      -1       0      61     -1.97616852     -0.62695885     -0.39758943
 Cl              1.36706002      5.09174997      7.59432002     -0.55964776     -0.29794395     -0.39709495      17       0       0      -1      69     -0.65471617     -0.41630308     -0.39235396
 Cl             10.47099995      2.16063004      9.80985006      1.22718252     -0.11774018     -0.19487851      17      -1       0      -1      69      1.10615530     -0.10318508     -0.32316132
 Cl              1.30782995      4.04331995     11.46179996      0.08810920     -0.27934344     -0.23052996      17       0       0      -1      67      0.12257981     -0.03806417     -0.28397656
 Cl              5.76337995      7.23380998      6.04615001      0.41017898     -0.64304112      0.28806187      17       0      -1      -1      68      0.45179254     -0.66320583      0.22792599
 Cl              0.69448000      4.98371002      4.26957001     -2.11507494      0.43119217     -1.73563707      17       0       0       0      68     -2.09111331      0.38324386     -1.55457976
 Cl             10.59580002     11.47370570      5.00809999     -0.28899846      0.39564481      0.66600561      17      -1      -1       0      66     -0.35518506      0.35847064      0.50254774
 Cl              6.66733998      0.39333495      3.23524001      0.52349821      0.23212218     -0.39741638      17      -1       0       0      71      0.34175113      0.02486453     -0.16880240
 Cl              3.37904006      1.66058001      0.43466703      1.13489121      1.98438050      3.33850513      17       0       0       0      71      1.11571364      1.88673341      3.39100656
 Cl              8.10973005     11.34579998      0.06424234      1.24300437      0.97267301      2.61222531      17      -1      -1       0      72      1.15502167      0.98650872      2.49763618
 Cl              2.73522004      7.57868995      8.79134995      0.47279159      1.30593278      0.12845890      17       0      -1      -1      73      0.52543774      1.33345334      0.54124723
 Cl              4.49940995      4.26430002      4.68372999     -1.53795131     -0.68995409      0.18991385      17       0       0       0      71     -1.63233918     -0.53426368      0.10382687
 Cl              2.67603995      2.54833999      8.84019000      0.67617156     -1.20363095      0.00437137      17       0       0      -1      68      0.81859705     -1.22735452     -0.15463086
 Cl              8.28383995      4.30320002      4.14606999     -0.13422787      0.68790335      0.72454162      17      -1       0       0      64     -0.14444167      0.55267194      0.66448225
 Cl              7.79284995      6.05006996     10.88590001      0.17035198      0.18094622     -2.52570320      17      -1      -1      -1      74      0.14898107      0.04541134     -2.42054885
 Cl              3.21190997     11.34109997      4.49524998     -0.65352024      1.89981894      0.01821202      17       0      -1       0      71     -0.22965290      1.86426292      0.08994298
 Cl              4.70667997     11.27099996      9.95461995      0.54237175     -0.48258147     -0.82372281      17       0      -1      -1      72      0.60525647     -0.40338078     -1.01537283
 Cl              3.17375996      7.00843003      0.30107001     -1.19423285     -1.42639880     -1.64821460      17       0      -1       0      71     -1.20195392     -1.51835972     -1.76322157
 Cl              8.19341999      8.55058997      3.52235995      0.52094105      0.75333052      0.56808611      17      -1      -1       0      70      0.51540826      0.62748980      0.58375381
 72
 energy=-249.83776599155348 stress="-0.02338086      -0.00037836      -0.00076482      -0.00037836      -0.02756271       0.00440767      -0.00076482       0.00440767      -0.02115620" free_energy=-249.89806214 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.54251459       0.00000000       0.00000000       0.00000000      11.54251459       0.00000000       0.00000000       0.00000000      11.54251459" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              7.44210000      1.14704997      9.05999003      1.37391708      0.42792729      0.74623833       3      -1       0      -1      71      1.36699249      0.36665083      0.71374694
 Li              5.36473005      3.77272999      1.36146995      0.58486068      0.66119756     -0.84811401       3       0       0       0      71      0.75350729      0.67518123     -0.73342254
 Li              0.11356299      2.91840004      9.44159999      0.14134368     -0.10473198     -0.57987280       3       0       0      -1      72     -0.09736408     -0.21876457     -0.74900405
 Li              5.55650004      5.16916995      7.93806996      0.44841573      0.11935503      0.62041773       3       0       0      -1      75      0.57732967      0.10433204      0.67732117
 Li             11.00520003      8.46488002      8.02881005     -0.12123230     -0.31621603      0.35626991       3      -1      -1      -1      67      0.03124824     -0.24584110      0.28620553
 Li             11.26770001      8.29942004      4.57774005     -0.38956800     -0.81616242     -0.25280947       3      -1      -1       0      68     -0.57076925     -0.53487167     -0.23682962
 Li              0.92634901     10.66270004      2.10347000     -1.75144286      2.04656760     -1.32421576       3       0      -1       0      76     -1.63057527      1.89003695     -1.26365872
 Li             10.85230003      0.26237405     11.07459998      2.66527748     -4.13075348      2.38348385       3      -1       0      -1      69      2.39150428     -3.93523632      2.00266600
 Li              6.60096995      9.96294998     11.14790002      0.57872959      0.62129010     -1.30977116       3      -1      -1      -1      72      0.41748418      0.71747197     -1.18876687
 Li              3.01807000      9.83439995     10.96339997     -2.17908970      0.32592799     -1.25682117       3       0      -1      -1      68     -2.30584382      0.37030623     -1.14316154
 Li              5.48775998      6.95940000      0.69647302     -0.55004781      0.20649722     -0.54591772       3       0      -1       0      74     -0.55956974      0.06672525     -0.47697554
 Li             11.30990002      5.43598995      7.09901999     -0.27533601     -0.41258752     -0.41729475       3      -1       0      -1      68     -0.19271310     -0.30310659     -0.36730453
 Li              7.79002001      8.95456001      3.23349995      0.65955766     -0.27505937      0.60260253       3      -1      -1       0      73      0.65203171     -0.30310952      0.52050672
 Li              5.54544000     10.86019996      6.32623005     -0.01125883     -1.39315352      1.48020820       3       0      -1      -1      71     -0.16077810     -1.17095676      1.35909758
 Li              3.40347999      8.43772995      8.05138006      1.54114249      1.39690038      0.02991199       3       0      -1      -1      73      1.50079422      1.42756539      0.13506822
 Li              2.07506999      5.74648002      9.90586001     -0.42562266      0.82668385     -2.23619530       3       0       0      -1      75     -0.25202755      1.19974420     -2.35659020
 Li             10.29359997      2.70439005      3.35106000     -0.39680326      0.44962068     -0.32888796       3      -1       0       0      76     -0.48830985      0.32580522     -0.12680932
 Li              9.61843997     11.06879998      5.37465996      1.74582385      1.72567693     -0.02109792       3      -1      -1       0      72      1.81734600      1.59545924      0.00126665
 Li              6.92475999      1.05497002      2.84239004     -0.01782787      0.08113434      0.13621475       3      -1       0       0      72     -0.14150113      0.22626775      0.07346441
 Li              2.03976005      1.24276004      7.63682002     -0.36949521     -1.03278596     -0.63032595       3       0       0      -1      70     -0.31185535     -1.37209748     -0.75009918
 Li              1.76123998      2.73927002      4.12222995     -0.23124474      0.99167902     -0.86888984       3       0       0       0      72     -0.11771616      1.06659115     -0.79470635
 Li              1.05805995      2.90688003      0.40127298     -0.33362432      0.76997094      0.99279085       3       0       0       0      71     -0.16800709      0.64907657      0.90916993
 Li              4.72621995      2.31823003      9.19720998     -0.10141436      0.38553351      0.00224632       3       0       0      -1      75      0.09953642      0.38789622      0.07066277
 Li              2.08193998      6.67340004      2.31749996     -1.02956090     -0.84060672     -0.01417303       3       0      -1       0      78     -0.96927131     -0.81677987      0.16761116
 Li              5.61692002      6.40638001      4.38665003     -0.61523223     -0.07960563      0.19478182       3       0      -1       0      75     -0.71012759     -0.02435731      0.11230473
 Li              8.49136005      2.51300003      0.33062206      1.70049746      0.05096052     -0.01550135       3      -1       0       0      69      1.40830231      0.17727883     -0.00581562
 Li              4.00619005      9.85759002      3.02344004     -0.10066705      0.27129852     -0.23710417       3       0      -1       0      72     -0.28100070      0.17159049     -0.32734745
 Li              8.48867999      5.37484995     10.27250002     -0.22578741      0.23765812     -0.59312597       3      -1       0      -1      70     -0.42634863      0.33326772     -0.47110802
 Li              8.59780997      5.36245998      2.26578996      1.06763291      0.25870750      1.09543540       3      -1       0       0      71      0.83380786      0.04694025      1.13532553
 Li              3.69305005      1.09532000      1.19696996     -0.58826343     -0.92841299     -1.55639993       3       0       0       0      72     -0.74711101     -1.12977055     -1.70860664
 Li              4.99831996      2.47193003      5.38127001     -0.23794492     -0.09131470     -0.06989690       3       0       0       0      71     -0.07472505     -0.32903911     -0.11299452
 Li              7.47384999      7.97757999      6.72146999     -0.31812803     -0.75745881      0.50486393       3      -1      -1      -1      68     -0.18853449     -0.70436141      0.45988344
 Li              9.96109002      8.39596001      0.28688100      0.48140701      0.42182336      0.33331416       3      -1      -1       0      73      0.48540635      0.59673699      0.24928020
 Li              2.55528996      5.98314000      5.89974995     -1.34485574      1.82805049      1.41297503       3       0      -1      -1      73     -1.33458916      1.84334155      1.45255693
 Li              2.21061997     10.40399996      5.89702003     -1.19939462     -0.13931090     -2.26964258       3       0      -1      -1      72     -1.18803465     -0.05878713     -2.28903347
 Li              8.82336998      3.82723005      5.60881002      0.32567365      0.35540983      1.41899028       3      -1       0       0      69      0.25034090      0.29131589      1.25165942
 Cl              0.56488004      5.82722002      4.68369999     -0.52044818      0.61249110      0.18748051      17       0      -1       0      66     -0.51665083      0.48089596      0.28092628
 Cl              6.57095999      1.91377004      0.18201299     -1.67373944     -1.97111234     -0.20439393      17      -1       0       0      71     -1.52251984     -2.25771298     -0.09903108
 Cl              8.62287996      9.51487995      5.77816999     -2.09823784     -1.70816031      0.05496218      17      -1      -1      -1      73     -2.11851387     -1.70951210      0.11020857
 Cl              7.89276005      3.42700005      3.80818998     -1.01700040      1.01992579     -0.84090541      17      -1       0       0      71     -0.82809517      1.03276080     -0.69055229
 Cl              4.20505995      2.42616004      2.52385000      0.19398753      0.99331979      1.64162947      17       0       0       0      74      0.21768145      0.92696055      1.67109169
 Cl              1.19364999      9.60754003      3.61513000      1.26940112     -1.65552983      2.05029889      17       0      -1       0      67      1.32613910     -1.66679361      2.06851865
 Cl              3.36181001      4.74400004      4.75024997      2.61501371     -2.34323311     -1.53375353      17       0       0       0      78      2.56815609     -2.18987264     -1.42653656
 Cl              5.18282994      4.80231998     10.53190003     -0.08026191     -0.12640539     -0.62629603      17       0       0      -1      72     -0.12241044     -0.11828504     -0.86298199
 Cl              7.78573001      4.49315004      0.61751103      0.04913773      0.26180481     -1.78593526      17      -1       0       0      71      0.49909315      0.23956030     -2.05239113
 Cl              1.89678996      1.35973003     10.76920005      0.25441778      0.10369050     -0.81059366      17       0       0      -1      73      0.23878701      0.37904666     -0.78396376
 Cl              3.07543999     10.83940001      7.56905000      1.02179451     -0.95412418      2.43243843      17       0      -1      -1      76      0.91004871     -0.80984651      2.56052616
 Cl              4.68135005      9.03248999     10.62540005      1.88354661     -1.71600314     -1.18577278      17       0      -1      -1      69      2.09795445     -1.70311144     -1.02956657
 Cl              0.36158543     10.00530004      0.07049914     -2.48411392     -2.06444674     -1.32186310      17       0      -1       0      70     -3.16220295     -2.10512194     -1.32117592
 Cl              5.40291003      0.03008545      4.53774004      0.07108094      0.53218224     -2.33940821      17       0       0       0      72      0.21660454      0.53569067     -2.51308342
 Cl              6.57935001      9.62187998      1.62746005     -0.10031564      0.38292120      0.83899611      17      -1      -1       0      71      0.17167685      0.50740625      0.83765885
 Cl              5.01052005      7.84149005      6.12617000      0.04176958      0.24451125     -0.18650192      17       0      -1      -1      71      0.05874883      0.03463618     -0.22542354
 Cl              8.78897998     10.97859996      9.88558004     -1.92245547     -3.60793179     -0.13318006      17      -1      -1      -1      77     -2.01449277     -3.67075029     -0.04438978
 Cl              0.28858895      1.61698995      2.30971003      1.02422713     -0.65773679      0.07157240      17       0       0       0      71      0.83219057     -0.57545095      0.02759462
 Cl              3.85148999      7.68814001      2.53684998      0.46247916      0.24385866     -0.00669301      17       0      -1       0      73      0.64479100      0.34324288      0.04263258
 Cl             10.96429994      2.92214005      7.04556002     -1.19666092      0.39487817     -0.54200641      17      -1       0      -1      74     -1.33887564      0.34041686     -0.44617407
 Cl              2.61534001     10.74819994      1.05912994      3.90285509      1.20583172      2.86429532      17       0      -1       0      71      4.30898292      1.30289926      2.97452579
 Cl             10.01319997      1.56580997     10.30379997     -1.45141247      7.93319477     -2.02165989      17      -1       0      -1      72     -0.81227311      7.79478172     -1.60188486
 Cl              0.09654505      9.64028995      6.30783002     -0.08554330      0.33431319      1.23729358      17       0      -1      -1      72      0.08101075      0.12111490      1.28957833
 Cl              8.80741996      6.17475002      6.03813997      0.23174602     -0.34511766     -0.05682781      17      -1      -1      -1      73      0.13260589     -0.44069292      0.04204105
 Cl              2.36194003      4.90981000      0.02688540     -0.34691039     -0.87417857      3.05575672      17       0       0       0      72     -0.51165206     -1.00735536      2.96034241
 Cl              6.61369003      3.04942997      7.52153997      0.00241859      2.04747913     -0.53494779      17      -1       0      -1      74     -0.06960003      2.23075254     -0.49400211
 Cl              2.13855001      6.91333994      7.94199003     -0.03380837     -0.73152693     -0.55089583      17       0      -1      -1      68      0.02787503     -0.63846545     -0.81025654
 Cl             11.23269999      6.33626004      9.29028005     -1.52685225      0.00726857      0.60252994      17      -1      -1      -1      74     -1.76335072     -0.03859780      0.57342584
 Cl              6.87238999      6.98327996      8.76433002      0.57673362     -0.06136073      0.38936568      17      -1      -1      -1      70      0.62217435     -0.15070848      0.10893397
 Cl              2.13528002      3.14698996      8.15594000      1.43394537      2.16847288      0.74898208      17       0       0      -1      70      1.37396948      2.07717034      0.87691506
 Cl              2.44271004      1.23748996      5.27728996      0.25046761     -0.75354208      0.59044705      17       0       0       0      77      0.15366869     -0.85546930      0.54725431
 Cl              5.88102003      0.47119696      8.00896997     -1.22408678     -1.49138822      0.70505105      17      -1       0      -1      71     -1.31197617     -1.41746527      0.59347101
 Cl             10.72230004      4.35889005      1.36498003      0.21221272      0.24815857      0.24047269      17      -1       0       0      67      0.06481156      0.13586731      0.16385721
 Cl              9.04342998      0.90461596      3.90783005      0.11423195     -1.33202778     -0.43240385      17      -1       0       0      72      0.16929529     -1.34473845     -0.47810588
 Cl              6.52941005      6.18465003      2.43713005     -0.06372475      0.56873846      0.98814806      17      -1      -1       0      74     -0.01353305      0.75733946      1.17332217
 Cl              9.81361997      7.95395004      2.63374005     -0.28633175     -0.05092599     -0.52036905      17      -1      -1       0      67     -0.27897788      0.07690531     -0.49886820
 72
 energy=-251.17982275868977 stress="-0.02679568      -0.00039224      -0.00169707      -0.00039224      -0.02636034       0.00623460      -0.00169707       0.00623460      -0.03542947" free_energy=-250.57519505 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.45290659       0.00000000       0.00000000       0.00000000      11.45290659       0.00000000       0.00000000       0.00000000      11.45290659" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              1.56896002      3.42286995     11.45279996      0.71487570     -0.08128171     -0.12794318       3       0       0      -1      73      0.74439518      0.01807824      0.03700645
 Li              4.58466997      9.49106000      4.24981001      1.45670665      0.85575300      0.21296087       3       0      -1       0      77      1.63500541      0.88299381      0.26636788
 Li              8.45715996      3.38873995      3.29218003      0.17636705      0.01939434     -0.44571982       3      -1       0       0      71      0.31568170      0.04453933     -0.46753745
 Li              7.09396000      6.38121997      5.87385999     -0.44191578      0.13845078      0.60068689       3      -1      -1      -1      74     -0.41428317      0.36642886      0.50250757
 Li              3.23652005      6.66291005      1.39805997     -0.60638004      0.82806556      0.31917542       3       0      -1       0      71     -0.81656227      0.67804669      0.22803815
 Li              0.32117695      7.50630003      7.92329005      0.12673232     -0.02474177     -0.53451734       3       0      -1      -1      78      0.26009194     -0.18603334     -0.55638408
 Li              2.39302001      5.83164000      9.06712001      0.74146603     -0.36892286      0.27178103       3       0      -1      -1      84      0.77820912     -0.21548521      0.20162885
 Li              9.18524998      2.08609001      0.59056294     -0.57618920     -0.61647710     -0.06948437       3      -1       0       0      73     -0.51113949     -0.51461283      0.08963620
 Li              9.95317000      8.48947995      5.07625003      0.14407605      0.10914012     -0.70158067       3      -1      -1       0      76      0.16488161      0.19613434     -0.86081976
 Li              0.23100604     11.27500000      0.85104705     -0.11138029      0.15260028      0.01465506       3       0      -1       0      74     -0.09440767      0.11262689      0.13225127
 Li              3.17053001      7.67329005      6.65021004      0.59181522     -0.44113933      0.80851393       3       0      -1      -1      76      0.56750138     -0.51226152      0.89692617
 Li              7.91307005     10.78739995      2.74681003      0.21732648      0.32237886     -0.16186429       3      -1      -1       0      76      0.08896389      0.10017618      0.09079514
 Li              5.47501000      1.57247995      5.32291002      0.22964178      0.05951232      0.50474424       3       0       0       0      76      0.10872877     -0.08524640      0.45180070
 Li             10.13089999      4.28888996      6.06985003     -0.23785080      0.20223121      0.39613321       3      -1       0      -1      69     -0.21421923      0.18140719      0.08927528
 Li              9.54635005      4.79559002      9.84966001      0.11201413      0.10734819      0.39362744       3      -1       0      -1      70      0.08247906      0.18890736      0.49243398
 Li              5.42311001      4.26268994      8.24382003     -0.09779218     -1.01952933     -0.03323807       3       0       0      -1      73     -0.36456238     -1.00482324     -0.01259846
 Li              4.33233003     10.62239998      1.33166999     -0.20480326     -0.02255989      0.36111406       3       0      -1       0      77     -0.23015357     -0.09842834      0.41021388
 Li              3.83475003      0.62025002      8.44316005      0.42619600     -0.54845550      0.49280427       3       0       0      -1      73      0.49275941     -0.50800855      0.59022023
 Li              8.15257999      7.28516995      2.61497997      0.02818533     -0.15324896     -0.01215292       3      -1      -1       0      75      0.15557587     -0.26343926      0.01211763
 Li              1.82825004     11.29550002      5.80364004     -0.23292104     -0.97093662     -1.46291311       3       0      -1      -1      79     -0.17308345     -0.79541068     -1.44804636
 Li             10.74000003     11.23119996      8.55206001     -1.15835202     -0.13527656     -1.33098321       3      -1      -1      -1      75     -0.88397161     -0.08158003     -1.34123272
 Li              2.25378004      1.74837003      3.14764000     -0.31403434      0.00362740     -0.24009437       3       0       0       0      76     -0.32411519      0.05175965     -0.33786344
 Li             10.40929999      1.10310995      5.03917995     -2.26700791     -3.38260917     -0.54806639       3      -1       0       0      80     -1.86955225     -3.39371703     -0.62161733
 Li              6.43391995      5.84965004     11.19740003      0.62742775     -0.21769195      0.10562313       3      -1      -1      -1      74      0.48560224     -0.33428864      0.22333891
 Li              2.28518998      9.89335995     10.58950002      0.55486059      0.22362130      0.03394236       3       0      -1      -1      78      0.69405485      0.07125945      0.32664376
 Li              4.90134994      4.22663001      2.49235004      1.62616816      0.40572222     -0.54914260       3       0       0       0      77      1.72652055      0.27591397     -0.49626488
 Li              1.57768003      5.36981001      4.26244004      0.32346922     -1.44189367      0.50177023       3       0       0       0      72      0.27396442     -1.45667958      0.37834479
 Li              6.80893999     10.22689997      6.73943001      0.22686682     -0.20102353      0.20821844       3      -1      -1      -1      72     -0.00127969     -0.27654111      0.01478611
 Li              7.22644998     10.64459996     10.82129998      0.38703409      0.05632927     -0.26269425       3      -1      -1      -1      80      0.34224539      0.19427823     -0.25773309
 Li              5.01662998      8.24220002      9.40493002      0.75836856      0.12103249     -0.76552275       3       0      -1      -1      73      0.61552684      0.07784409     -0.70367379
 Li              1.36564000      8.55394000      3.35673995     -0.41669265      0.37117734      0.11121004       3       0      -1       0      84     -0.36344487      0.44757714      0.08330493
 Li              9.09336996      7.89640997      8.79560996      4.89204524     -1.30297464     -6.47599132       3      -1      -1      -1      79      4.30464197     -1.03369845     -5.64069049
 Li              5.17279998      2.08418998     10.82689999      0.03721436      0.09280548     -0.03637155       3       0       0      -1      68      0.05437225     -0.05420490     -0.11877298
 Li              1.41858999      2.72271998      7.53995005     -0.44321208      1.08330874      0.04330117       3       0       0      -1      79     -0.56896383      0.92882164      0.08687791
 Li              7.58947001      2.08380997      8.26061996      0.70079517      0.86831739     -0.15485032       3      -1       0      -1      71      0.37060942      0.96633663     -0.06234413
 Li             11.22609999      7.36761003      0.82959896     -0.21715111     -0.11953494      0.20600181       3      -1      -1       0      72     -0.21444365     -0.10824047      0.45855409
 Cl             10.90949996      3.16986001     11.38850002      0.06356667      1.05695165     -1.77427795      17      -1       0      -1      72     -0.06897380      1.07109336     -1.91466055
 Cl             10.29750004      8.26468997      2.92937005     -0.65957169     -0.37423009     -1.08846887      17      -1      -1       0      73     -0.68061333     -0.55701405     -1.11099854
 Cl              1.58131999      6.31272999      6.11103995     -0.83525323     -0.55692500      0.92329763      17       0      -1      -1      73     -0.68752901     -0.44326155      0.93795892
 Cl              7.08714999      4.23532998      9.49433999      1.04682861     -0.22455984      0.77695512      17      -1       0      -1      71      1.19095250     -0.15786130      0.68383299
 Cl             10.43989998      1.81807001      2.36242002     -0.55227913     -0.26314414      1.97719631      17      -1       0       0      74     -0.75086296     -0.31311952      1.83727306
 Cl              2.92776996      3.90891997      2.75742996     -0.88221599     -0.85966642      0.62912311      17       0       0       0      81     -0.77410639     -0.79789521      0.86305158
 Cl             11.33240002     10.50070003      4.62207998      0.65167606      1.12056656     -0.38115782      17      -1      -1       0      72      0.47960299      1.20085901     -0.26755256
 Cl              4.27374005      5.38682995      0.16495301      1.03938453     -0.00884846      0.30074419      17       0       0       0      69      1.17622550      0.02968043      0.61253894
 Cl              0.40398903     10.54420000      9.94630994      0.94513468     -0.87532072      1.65477040      17       0      -1      -1      75      1.09926015     -0.69860621      1.63077071
 Cl              7.04410997      0.16789343      8.70071003      1.20587373     -2.68553609      0.66029057      17      -1       0      -1      73      1.27741506     -2.75159709      0.57780121
 Cl              8.10584996      8.27318998     10.06429996     -5.99456078      2.40523008      6.25254291      17      -1      -1      -1      77     -5.50205166      2.10768356      5.32126190
 Cl              2.57466998      0.60945795      1.16264994     -0.93998548      2.27873083      0.74421614      17       0       0       0      74     -0.91392225      2.27356191      0.82338067
 Cl              9.47832998      6.01512003      7.89707996     -0.85155757     -1.15511463     -1.19012398      17      -1      -1      -1      73     -0.73869051     -1.13415972     -1.06264326
 Cl              0.01879319      2.55626997      5.26646998      3.58427576      4.70834960     -0.16629546      17       0       0       0      75      3.22386336      4.53188001     -0.08648631
 Cl              3.21166999      3.60877994      9.53904000     -1.57877131     -1.22278060      0.38848532      17       0       0      -1      74     -1.66927711     -1.41587355      0.38988715
 Cl              4.44301000     11.21699996     10.64980003      0.83793654     -0.62418190     -1.20234670      17       0      -1      -1      74      0.84316512     -0.70205788     -1.21791122
 Cl              8.54689005      5.97819001      0.74886296      1.04197587      0.00295109     -0.87896873      17      -1      -1       0      77      0.89433839      0.17467600     -1.21023186
 Cl              9.32298000     11.15470005      0.27788897     -0.60872302     -0.41950580      0.30919446      17      -1      -1       0      75     -0.65484170     -0.25248615      0.17754402
 Cl              2.99509003      7.97373999      9.82562998     -0.60160870      0.32702509      0.04981202      17       0      -1      -1      74     -0.53640991      0.51996477      0.20033043
 Cl              8.12054999      4.79126999      5.06034996      3.32145676     -2.62184158      4.19414909      17      -1       0       0      76      2.97377869     -2.36777763      4.26545429
 Cl              3.61010997      0.81872397      4.63521005     -0.25414840     -0.14296103     -0.19657387      17       0       0       0      73     -0.23237051      0.19998100     -0.08610553
 Cl              2.09262000      9.31524001      1.26115994     -0.11420632     -1.63688192      0.67305046      17       0      -1       0      78     -0.03814508     -1.78581003      0.57264908
 Cl              1.31667997      6.36246000      2.57154001     -0.58710722      1.06571218     -1.75330620      17       0      -1       0      72     -0.42307856      1.13140698     -1.74853159
 Cl              2.88779004      8.93234003      5.02155003     -4.01306698     -0.22353173     -2.32566099      17       0      -1       0      70     -4.15178039     -0.26166169     -2.42070253
 Cl              4.76391999      9.21928000      6.69289995      2.45962363      0.63776379      2.62117189      17       0      -1      -1      74      2.72739183      0.63462767      2.61122302
 Cl              7.85439005      8.28713996      5.49932005     -0.71164219      0.41879942     -0.29360313      17      -1      -1       0      78     -0.54373724      0.35214397     -0.26173236
 Cl              6.94005997     11.43349483      4.84619000      0.71827987      0.95813331      0.04111721      17      -1      -1       0      73      0.66370426      1.02170064      0.12676347
 Cl              4.33618004      5.90643000      8.06887001      0.59820363      2.00891094     -1.52475543      17       0      -1      -1      78      0.48762515      2.03050116     -1.75862016
 Cl             10.19600003      1.46494999      7.51458002     -1.53746702      0.85538691      0.55442900      17      -1       0      -1      72     -1.54434762      0.79745242      0.55175905
 Cl             10.55149996      8.92658002      6.96663999      0.24708142      0.81916468      2.29718809      17      -1      -1      -1      73      0.16804100      0.60223439      2.28749344
 Cl              6.80369995      1.73370000      1.12057002     -0.32898869      0.32744798      0.11646664      17      -1       0       0      71     -0.11899195      0.12273512     -0.05681533
 Cl              5.96863004      9.51251003      2.64818000      0.15337284     -0.55453665     -1.51155824      17      -1      -1       0      69     -0.08478952     -0.38413309     -1.64468212
 Cl              1.93597001      0.76920298      7.58803003      0.00461399     -0.69394427      1.02607086      17       0       0      -1      80     -0.00269328     -0.58326790      0.91024755
 Cl              6.99383996      5.26725004      3.05577005     -4.05636359      0.63279698     -3.64459641      17      -1       0       0      78     -3.74461026      0.48101377     -3.44779807
 Cl              5.30795000      2.09118003      7.97329001     -0.54798218      1.06919967     -1.96608377      17       0       0      -1      77     -0.50767880      1.07108793     -1.93133324
 Cl              0.37587603      6.08021995      9.44495002     -0.03775510     -0.52212864      2.03437302      17       0      -1      -1      77     -0.05349116     -0.60813165      1.70809287
 72
 energy=-253.84842049006284 stress="-0.03379615       0.00797205       0.00421616       0.00797205      -0.01557466       0.00179919       0.00421616       0.00179919      -0.03333403" free_energy=-253.62495044 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.42212207       0.00000000       0.00000000       0.00000000      11.42212207       0.00000000       0.00000000       0.00000000      11.42212207" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              3.07790005      1.06493995      6.00106003      1.15075198      0.08708371      0.13742095       3       0       0      -1      78      1.22220724      0.05593073      0.01586359
 Li              3.87891005     11.01249999      1.26038000      0.38453695     -0.95041750     -0.48231560       3       0      -1       0      78      0.54775171     -0.93111604     -0.24810134
 Li              3.07552002      8.32821004     11.05030001      0.16614408     -0.10900038     -1.05086507       3       0      -1      -1      77      0.32716933     -0.21616365     -0.99140730
 Li              0.77709597      2.12030006      8.06924997      0.14340823      0.15350466      0.26373580       3       0       0      -1      71      0.03390339      0.21011469      0.22663930
 Li              6.01191996     10.47890002      7.89143997     -0.75219428      1.34550243     -0.01741941       3      -1      -1      -1      77     -0.56686771      1.38625199      0.04216618
 Li              6.45240998     10.63669995      3.55962005      0.29505829      2.16127678      0.95090595       3      -1      -1       0      68      0.13057835      2.12505027      0.70643872
 Li              9.67237005      8.49188002      7.69647999      0.35122151      0.22007641      0.38301712       3      -1      -1      -1      72      0.20427044      0.09585689      0.38386535
 Li              8.94237000      4.93489997      7.25536997      0.55945105      0.53316983      0.39469879       3      -1       0      -1      71      0.53730511      0.64193967      0.35814207
 Li              2.03754004      7.33863999      2.08592998     -0.09620818     -0.35776388      0.83799915       3       0      -1       0      69      0.06767437     -0.27290599      0.86042439
 Li              4.18342999      4.05729995     11.32900002     -5.24600313      1.69306060     -0.55004848       3       0       0      -1      79     -5.01053396      1.63924023     -0.55427085
 Li              7.45037004      8.67073995     10.49970005      0.82742392      0.10534255      0.04532349       3      -1      -1      -1      71      0.82003315      0.06030907     -0.09393142
 Li              0.17341603      3.44379002      5.16487001      0.39939104     -1.30686650     -0.66286820       3       0       0       0      68      0.43647979     -1.23814571     -0.74426195
 Li              5.63086997      6.51412999      9.07413001      2.49009382      0.54891505     -0.54049159       3       0      -1      -1      72      2.46038333      0.49224674     -0.48315261
 Li              9.64372005      0.93597506      2.69753995      0.59288653     -1.97191756     -1.33415907       3      -1       0       0      76      0.79085389     -2.02393578     -1.12534713
 Li              5.74762005      7.16810005      1.79342999     -0.54624700      0.24235327      0.90024992       3      -1      -1       0      73     -0.50032843      0.39524108      0.89993079
 Li              8.55708995      7.91300002      3.01736006      0.35429084     -0.15052017      0.00680874       3      -1      -1       0      74      0.16550083     -0.16180687     -0.11907030
 Li              0.01347788     10.31530005      0.19608403     -0.27627187     -0.20211746      0.04862298       3       0      -1       0      72     -0.59688261     -0.12847349     -0.17253739
 Li              7.23397999      7.94571001      5.72036001     -0.10892870      0.28087967      0.21964669       3      -1      -1      -1      75     -0.15033830      0.20358422      0.02045684
 Li              1.77156005      4.92517997      8.92411003     -0.23890084      0.16803788      0.11018934       3       0       0      -1      75     -0.30487646      0.19167600      0.10411329
 Li              7.82598995      2.38772003      5.41028995     -1.12313054     -0.02309343      2.27480995       3      -1       0       0      72     -1.26017973      0.10290100      2.28836717
 Li              6.23275001      2.76544001      9.31218005     -0.08734171     -0.42882149     -0.16341628       3      -1       0      -1      75      0.00420269     -0.31403489     -0.13320071
 Li              1.41698997     10.77109995      3.40522997     -0.20860747      0.09106937      0.34379915       3       0      -1       0      73     -0.21302260      0.14052832      0.31432788
 Li              0.66986097      2.52931003      0.32002399     -1.27692094     -0.63903627      0.38376116       3       0       0       0      78     -1.17728598     -0.53306340      0.44647082
 Li              3.80119005      7.58181000      6.41078000     -2.87669447      3.32509328     -0.74469339       3       0      -1      -1      75     -2.99348182      2.90915411     -0.80248787
 Li              1.75522996      9.99914999      8.03429005     -0.39469112     -0.62733067      0.42284749       3       0      -1      -1      78     -0.56010253     -0.64699050      0.37137213
 Li             10.92740004      6.80770000     10.53330005     -0.48515866     -1.59920498     -0.64742954       3      -1      -1      -1      76     -0.44960703     -1.69224609     -0.68865765
 Li              7.07169003      0.68350595      0.36961496      1.19969316      0.25582958     -0.77194524       3      -1       0       0      76      1.02671631      0.13381020     -0.80990429
 Li              0.27063896      6.89142005      5.17875005      0.19853814     -0.12553414      0.61002072       3       0      -1       0      74      0.43962697     -0.23436306      0.62004515
 Li              8.15954995      5.39087999     11.32170003      0.02829463     -2.15797767      4.90902742       3      -1       0      -1      73      0.05609262     -1.91633400      4.66646556
 Li              2.88764004      0.79610101     10.05890002     -0.02219433      0.13439735     -0.04008943       3       0       0      -1      71      0.02042740      0.08575201      0.09063917
 Li              3.22202004      3.99719995      4.04204000     -0.42562071      0.18652824      0.89534016       3       0       0       0      72     -0.50136571      0.39253263      1.01529404
 Li             10.51230002      0.35396996      5.71963003      0.75572398     -1.01263665      0.14092826       3      -1       0      -1      72      0.93257241     -0.95015941      0.07033492
 Li              9.51475995      0.99519099      9.18557999     -0.24479778     -0.34149011      0.60720701       3      -1       0      -1      75     -0.32196546     -0.59328751      0.68129755
 Li              5.44344003      2.88631005      2.49482002      0.44177376     -0.53987973     -1.94819518       3       0       0       0      78      0.44767430     -0.67129946     -1.95557853
 Li              4.54720002      3.41044005      6.68311995      1.39162317      1.04512645     -0.33582540       3       0       0      -1      72      1.35043777      1.26008735     -0.54211850
 Li             10.56159995      4.39616999      2.54664995     -2.91837941     -0.13334054     -1.26237017       3      -1       0       0      74     -2.82475869      0.11822446     -1.29084380
 Cl              4.92768005     10.94260003      5.95203000      0.16482471     -0.28255585     -0.37233153      17       0      -1      -1      68      0.05494171     -0.04195796     -0.31667611
 Cl              8.03304002      6.01140996      9.70628004      0.77431756      1.46302777     -6.35291398      17      -1      -1      -1      73      0.89549137      1.20866611     -5.66614484
 Cl              2.27458997      8.00026995      4.44017006     -0.54944369     -0.11628866      0.00358340      17       0      -1       0      70     -0.54356558     -0.07583596      0.20942694
 Cl              7.38721005      9.05185001      8.30748997      0.53944950     -1.49226501     -0.56306636      17      -1      -1      -1      74      0.45522543     -1.38959160     -0.57203154
 Cl              2.58566004      3.22646999      6.03004001     -2.05561961      0.27585749     -0.52602362      17       0       0      -1      73     -2.00757522      0.26350387     -0.51414601
 Cl             10.24739999      1.59426999      7.26701997     -0.51036301      1.27726580      0.71704663      17      -1       0      -1      72     -0.37176110      1.14841260      0.76500131
 Cl              9.35920002      9.74314003      2.31391005      0.67114053      0.76511684     -0.23180832      17      -1      -1       0      71      0.45344076      0.71943331     -0.06268086
 Cl              0.37893198     11.05374401      9.50437005      1.81574648      0.55451621     -1.13025087      17       0      -1      -1      78      2.06361980      0.30674123     -1.06700494
 Cl              3.71031999      8.59590997      1.59459997      0.60958453      0.57316929      1.12900119      17       0      -1       0      77      0.57520613      0.27946284      0.89496221
 Cl             10.23099999      8.66971995     10.51869995     -1.76939648      1.11218681     -0.20730693      17      -1      -1      -1      72     -1.62220653      0.98676908     -0.06130368
 Cl              2.18337004      3.12914003     10.58729996      2.82883773     -0.73848668     -0.48091079      17       0       0      -1      74      2.84488640     -0.74142735     -0.56419999
 Cl              1.52299001     11.15419998      6.26398997     -0.58079193     -0.39101226     -0.44748096      17       0      -1      -1      78     -0.54575901     -0.27076517     -0.41900053
 Cl              1.90484000      0.24377790      1.21296003     -0.93364927      0.22601677      0.42738686      17       0       0       0      72     -0.89277165      0.14277556      0.23621844
 Cl              4.13861998      2.06404999      8.19785998      0.27953227     -1.19894036      1.50280168      17       0       0      -1      74      0.12536793     -1.32368533      1.63378073
 Cl              6.49019002      8.71718995      3.41277005     -0.19574678     -3.09589373      0.38575774      17      -1      -1       0      75      0.06287405     -3.18206384      0.61479884
 Cl              5.97085001      7.22098996     11.18080004     -0.60804364      0.51572620      0.48696328      17      -1      -1      -1      74     -0.63128898      0.49682151      0.32631612
 Cl              0.78017697      4.61804996      3.41539006      2.29715289      0.84476593      0.79618419      17       0       0       0      72      2.10329274      1.02042749      0.80413296
 Cl              7.27711998      3.65231000      7.51044001     -0.50539939     -0.69126922     -0.55058240      17      -1       0      -1      74     -0.42576697     -0.57443452     -0.48109813
 Cl              3.70389995      4.13654995      2.09193002     -0.61097207      0.90906842     -1.57592651      17       0       0       0      72     -0.42134788      0.77388636     -1.50525127
 Cl              4.30858001     10.35939995     10.36969996     -0.56507975     -0.02686383     -0.59341898      17       0      -1      -1      74     -0.64876059      0.27033076     -0.57574114
 Cl              9.33266003      6.99284997      5.98639997     -0.70928773      0.33493073     -0.71893774      17      -1      -1      -1      72     -0.79108558      0.43611290     -0.83205562
 Cl             11.28792207      1.20726999      4.04402002      2.07751652      0.41578880     -1.31291343      17      -1       0       0      76      2.00344044      0.17785498     -1.31402614
 Cl              9.18364006      6.08084002      1.73147000      0.07124440     -0.23528213      0.38718118      17      -1      -1       0      77      0.06493130     -0.28397447      0.34738611
 Cl              7.12413996      0.44987604      9.67590005      0.25708609      0.60847630     -0.55297180      17      -1       0      -1      83      0.19966382      0.62545740     -0.45167791
 Cl             11.16040002      4.05121002      9.91210999     -1.75216225      0.65189342      0.00396262      17      -1       0      -1      80     -1.77620492      0.64304401     -0.02373101
 Cl              5.31226998      3.24392996      4.39824002      1.01635109     -0.18250687      2.69183606      17       0       0       0      77      0.80729175     -0.21686195      2.71342307
 Cl              8.78778003     10.74819996      5.58667995     -1.60429559     -1.08846658     -0.12519782      17      -1      -1       0      69     -1.58041039     -1.21920011     -0.15179625
 Cl              4.83496006      6.11966004      6.57585000      3.29376784     -2.77930488     -0.88564291      17       0      -1      -1      71      3.21350281     -2.74299211     -0.79417297
 Cl              5.87108005      3.57721000     11.41979995      5.93620697     -1.68985565      0.12564619      17      -1       0      -1      73      5.67343406     -1.63294093      0.02190642
 Cl              8.61499999      2.30210003      3.65025002     -0.86662589      2.03594212     -1.61167715      17      -1       0       0      73     -0.84828931      2.00627821     -1.73466741
 Cl              0.78932495      7.82794005      7.80179002      0.26331893      0.04170287     -0.18444876      17       0      -1      -1      70      0.30207543      0.16333695     -0.25514719
 Cl             10.05100003      0.67422000      0.03307789     -0.96064900      1.51521958      1.45217868      17      -1       0       0      76     -0.85243278      1.55405914      1.51786721
 Cl              1.27869000      7.05509003      0.10531596      0.89882864     -0.33421595      0.36499751      17       0      -1       0      76      0.91280891     -0.19521735      0.32301167
 Cl             11.12780003      4.63036998      6.69244999      0.07120610      0.92270354      0.95303381      17      -1       0      -1      70      0.01883068      0.94829770      0.86353376
 Cl              3.84242003      5.88381001      9.21078999     -3.04621915     -1.04250475      1.42048969      17       0      -1      -1      74     -3.06283614     -0.93021062      1.29034988
 Cl              5.73701004      0.46175196      1.86037002     -0.44438151      0.44203957      1.24153198      17      -1       0       0      70     -0.39852725      0.53338142      1.37265458
 72
 energy=-255.26324600016906 stress="-0.02737008      -0.00343183       0.00394165      -0.00343183      -0.02249850       0.00408057       0.00394165       0.00408057      -0.01874123" free_energy=-255.10444236 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.35037525       0.00000000       0.00000000       0.00000000      11.35037525       0.00000000       0.00000000       0.00000000      11.35037525" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li             10.46040004      9.07979999      1.06548004     -0.09875855     -0.63437212      1.32313518       3      -1      -1       0      76     -0.34267889     -0.64981612      1.23183436
 Li              3.57508002      2.03591000      8.78869998     -0.09805975      0.02338732     -0.40859646       3       0       0      -1      77     -0.13972477     -0.12223115     -0.14344079
 Li              2.31752995      4.89118997      3.56462995     -0.13661860     -0.45322302      0.42744578       3       0       0       0      75     -0.23341306     -0.54041927      0.43027555
 Li              3.10560001      2.52903999      1.16237002     -0.43316025     -0.14299918      0.49563332       3       0       0       0      73     -0.42370281     -0.20862510      0.34020590
 Li              7.66411002      3.13352000      1.76698000     -1.61421006     -0.66077758     -0.65255779       3      -1       0       0      75     -1.65165904     -0.58440285     -0.67463775
 Li              5.75551003      4.44956003     10.92990003      0.57210628      0.69027314     -0.11051664       3      -1       0      -1      85      0.51080441      0.64970107     -0.05020724
 Li             10.95080004      2.80652000      3.47918002      0.04420138     -1.33510635      1.75482687       3      -1       0       0      72     -0.00512957     -1.19924046      1.73868177
 Li              5.85048997      6.70988999      7.76719004     -0.04182501      0.02348315      0.50336696       3      -1      -1      -1      80      0.02069301      0.15190852      0.46848401
 Li              5.83562995      0.35748098     10.05349999     -0.46418218     -0.17401635      0.90000988       3      -1       0      -1      75     -0.46755523     -0.18543236      0.84694496
 Li              4.10469000      8.15861000      5.25423002      0.30853155     -0.09440551      0.21026789       3       0      -1       0      74      0.23109612      0.00585856      0.27780786
 Li              7.56762003      8.18957996     11.11390006     -0.17175353     -0.66843958     -0.90058423       3      -1      -1      -1      72      0.02371969     -0.61255766     -0.77879580
 Li             10.26540003      6.84778002      8.99032998     -1.46967917     -0.73146439      2.16932884       3      -1      -1      -1      78     -1.55537138     -0.98289422      2.21885562
 Li              9.04401997      5.38440997      0.78533201     -0.12887460      0.91593057      2.06039676       3      -1       0       0      74     -0.19536329      0.93574421      2.10599833
 Li              1.25903005     10.15379996      3.12190005      1.23351090     -0.35951679      0.36042609       3       0      -1       0      75      1.40151835     -0.45504608      0.41715460
 Li              3.70642997      4.50014003      6.16081002      0.07389350      0.26129400      0.55448132       3       0       0      -1      73      0.10401496      0.13824405      0.40050822
 Li              7.78836996      1.01912999      5.11645996     -0.50948013      1.02941212     -0.65304193       3      -1       0       0      78     -0.53297580      1.13546907     -0.59665533
 Li              0.98772100      6.30962003      1.46654998     -0.13790589     -0.17128159     -0.76417293       3       0      -1       0      75     -0.14521893     -0.21606496     -0.80727981
 Li              7.40815997      3.59646004      8.24036006      2.03737698      0.08396125      0.12270329       3      -1       0      -1      75      2.03011963      0.04864522      0.07955184
 Li              9.10645998      0.18755598      0.61850896      0.23202055      0.41306128     -0.46775059       3      -1       0       0      74      0.12607909      0.37584854     -0.48544295
 Li              6.37993004      5.21874000      4.16672003     -0.33547020      0.65051354      0.23818847       3      -1       0       0      74     -0.22608667      0.57590960      0.48749879
 Li              4.49586003      1.30052997      4.37742000      0.97808191     -2.99778063     -0.69619389       3       0       0       0      78      0.86363779     -3.03032761     -0.64380394
 Li             10.63110004      3.20993005     10.77100000      0.06493666      0.10160497     -0.19502553       3      -1       0      -1      75      0.11394469      0.09389873     -0.21636312
 Li              7.15933000      9.63176999      7.74845999      1.50676412      0.29762068      0.00160642       3      -1      -1      -1      73      1.43670296      0.40978992     -0.07227225
 Li              9.77274006      5.59832005      5.30890999      0.06319058     -0.30807126      0.59328552       3      -1       0       0      80      0.06870294     -0.22613285      0.62397032
 Li              5.86535998     10.54960003      1.67288005     -0.23779719     -0.32148231      0.41243995       3      -1      -1       0      72     -0.17158012     -0.05113991      0.41185675
 Li             10.07090000      9.30624996      5.01380001      0.39286804      0.66364383      0.45670916       3      -1      -1       0      78      0.31014803      0.58819403      0.59491420
 Li             11.14479998     10.15090006      8.94002999     -0.94930708      0.90844856     -1.82598765       3      -1      -1      -1      78     -0.98736449      0.91633852     -1.60671631
 Li              2.53017003      5.29120999      9.28660996      0.43464314      0.39503720      0.42541713       3       0       0      -1      75      0.30961718      0.50635024      0.32162051
 Li              0.48702099      3.48117995      7.17150998     -0.35981942     -0.24254465     -0.31946106       3       0       0      -1      74     -0.46165380     -0.11937163     -0.48866986
 Li              7.56260997      8.35349004      3.44133003      0.19850223      0.23269441      0.13758122       3      -1      -1       0      78      0.31841541      0.33470824      0.12099425
 Li              3.19996998      9.91974002      8.34640003     -0.67048315     -0.00639516     -0.21853355       3       0      -1      -1      77     -0.65472824      0.26688911     -0.15307350
 Li              1.16279998      0.34823405      6.34142003     -1.42221618     -0.94443205     -0.68688195       3       0       0      -1      74     -1.48333797     -0.72587063     -0.57574893
 Li              1.43225005      7.13153997      6.31112997      0.00794622     -0.69666393     -0.70205316       3       0      -1      -1      80      0.22809706     -0.76573380     -0.87291698
 Li              4.33733002      7.24191000      1.72229005     -0.10544423     -0.89821739      0.31625819       3       0      -1       0      76     -0.10025923     -0.84328017      0.03649483
 Li              9.34934995      1.27296002      7.86237996     -0.03305727      0.01092776      0.28344242       3      -1       0      -1      79     -0.05188241      0.17071423      0.22580294
 Li              2.40308000     10.60020001      0.17363395     -1.37060090     -1.71247087      2.89807959       3       0      -1       0      74     -1.37347883     -1.58913981      2.88019005
 Cl              5.46415997      3.50886000      8.19388005     -2.41268293      1.81767570     -1.30462089      17       0       0      -1      76     -2.16057138      1.70619058     -1.20678683
 Cl              0.90416397      3.60263998      2.19948003      2.54217734      0.82965798     -1.56406911      17       0       0       0      80      2.45659538      0.84893479     -1.68052615
 Cl              8.31615003      9.59302003      1.17574996     -0.62512247     -0.42457274      1.08782668      17      -1      -1       0      71     -0.48563969     -0.24204872      1.10946659
 Cl              6.99136000      1.10931996      8.53044001      1.05022703     -0.03930103     -0.97742921      17      -1       0      -1      75      1.22589026     -0.22850164     -0.93563265
 Cl              4.17809004      5.99528001      4.20088999      0.04582035      1.14226791     -0.82751338      17       0      -1       0      74      0.23858767      1.06592087     -0.97195140
 Cl              6.57924002      1.11489004      1.01772005      0.47515930      0.62539654     -0.58402829      17      -1       0       0      70      0.55170980      0.62042419     -0.70957706
 Cl              3.17728001      5.90085000      0.26485806     -0.45995511     -0.09753768      0.03881892      17       0      -1       0      77     -0.34850121      0.10782076      0.26451880
 Cl              5.11737003      9.40569003      7.83016998      0.15559808     -0.66638993     -0.20350944      17       0      -1      -1      80      0.20436527     -0.69795923     -0.12249274
 Cl              8.52324001     10.56700005      5.78533995      1.14826732     -0.55005741      1.47455838      17      -1      -1      -1      77      1.28496624     -0.76722948      1.44415268
 Cl             10.99100001     11.08340001      2.39429004     -1.38400659      0.88088286     -0.17826743      17      -1      -1       0      74     -1.43637985      0.74182328     -0.20057899
 Cl              2.67926005      1.45829996      6.71338999      1.55431347      0.21850718      1.72983631      17       0       0      -1      70      1.57477141      0.17462409      1.82153373
 Cl              8.42562996      4.11931996     10.82929995     -0.99967866     -2.68296680     -1.81082280      17      -1       0      -1      79     -1.02716364     -2.89415138     -1.63502735
 Cl             11.04330004      7.37126001      7.34686998     -0.17769643      1.31318240     -1.43548418      17      -1      -1      -1      76     -0.08185601      1.27285589     -1.42256546
 Cl              0.90306605      3.91795000      9.16590995      0.14227898      0.29805031      0.94096244      17       0       0      -1      79      0.14112999      0.35539521      0.98550863
 Cl             10.97660002      1.95655998      5.84916005      0.28174457     -2.29192429     -1.17592700      17      -1       0      -1      73      0.47930264     -2.47140529     -1.14220838
 Cl              0.00916815      9.46570004     10.68180001      2.93837246     -0.64078189      1.44720573      17       0      -1      -1      78      3.02268536     -0.66112711      1.49391562
 Cl              7.09373006      3.28163003      4.06530999     -1.00996752     -1.45808421      0.89978890      17      -1       0       0      72     -1.18999408     -1.39679725      0.89235964
 Cl              9.79697004      7.50963005      4.13514998     -0.74487247     -0.90857107     -1.08899027      17      -1      -1       0      76     -0.88225597     -0.82762978     -1.11238996
 Cl              6.77651000      6.30646996      1.08226997     -0.33185982     -0.07919654      0.88232795      17      -1      -1       0      74     -0.29835096     -0.13254773      0.77388142
 Cl              6.38525995     10.56330005      3.88884003     -1.05380968     -0.17975261     -0.22765379      17      -1      -1       0      74     -1.18773896     -0.13885767     -0.44264816
 Cl              3.15621996      0.02890850     10.01380001      1.31858756      1.35626851     -2.62114881      17       0       0      -1      73      1.28368919      1.16023271     -2.78841129
 Cl              8.84269996     10.06149996      9.34951998     -0.72779863     -0.23654721     -0.67153462      17      -1      -1      -1      74     -0.83781229     -0.10046748     -0.63583641
 Cl             10.32900004      6.71228004     11.26450001      1.26622843      0.16203826      0.64804264      17      -1      -1      -1      78      1.38091056      0.30590986      0.83773889
 Cl              7.87413998      6.79774995      9.14311000     -0.89050578      0.21704649     -0.36982273      17      -1      -1      -1      77     -0.86363308      0.18281965     -0.42197461
 Cl              4.25983998      2.94655004     10.70240003     -0.64560153     -0.44224223      1.19052737      17       0       0      -1      79     -0.73450031     -0.46707857      1.27702682
 Cl              6.85025997      6.79533005      5.84562997      0.23183266      0.22796570     -0.82319312      17      -1      -1      -1      79      0.21586617     -0.04373488     -0.70408811
 Cl              3.84017995      3.01350999      4.70731003     -0.83622066      2.39251042     -1.32919202      17       0       0       0      73     -0.68211157      2.45962465     -1.42947166
 Cl              4.62014005      8.97335004      0.64175896      0.34470176      0.90522249     -0.74147689      17       0      -1       0      77      0.20180104      0.89227836     -0.70815325
 Cl              1.36006995      7.99098006      2.83023003      0.42659467     -0.39508624     -0.03526352      17       0      -1       0      80      0.36919940     -0.41029369     -0.18569294
 Cl             10.92759999      1.13989004      9.93705002     -0.40813851      0.12506207     -0.16246067      17      -1       0      -1      72     -0.51435742      0.10341467     -0.26279748
 Cl              9.33914006      3.80097995      6.99542003     -1.23167317      1.07945884      0.80067543      17      -1       0      -1      81     -1.32801587      0.96628515      1.01136207
 Cl              9.36098999      3.66908995      2.58962001      1.37923311      1.47423051     -0.59872226      17      -1       0       0      79      1.44041038      1.60755882     -0.93268289
 Cl              3.12162004     11.26259996      2.50942995      0.13008015      0.78488660     -0.09070918      17       0      -1       0      73      0.00875367      0.62673884     -0.10648200
 Cl              2.21691001      9.09787001      6.16644004     -0.22465116      1.88215352     -0.31321556      17       0      -1      -1      75     -0.09938184      1.65764631     -0.40832535
 Cl              3.14453997      6.34600002      7.32678005      1.46891424     -0.09686417      1.33836510      17       0      -1      -1      74      1.25550147      0.07055062      1.40091847
 Cl              1.01760995      4.91708006      5.65322998     -0.09576105      0.30977869     -1.38755354      17       0       0       0      72     -0.07201860      0.35629533     -1.23970334
 72
 energy=-258.62459891074207 stress="-0.02371135       0.00435730       0.00411300       0.00435730      -0.01193222      -0.00251479       0.00411300      -0.00251479      -0.01883576" free_energy=-258.97592401 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.30718446       0.00000000       0.00000000       0.00000000      11.30718446       0.00000000       0.00000000       0.00000000      11.30718446" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              5.89723006      7.64584000      3.52692997      0.61612807      0.61681071      0.27214349       3      -1      -1       0      75      0.61827031      0.47313271      0.39730160
 Li              3.25854999      9.87194997      2.77148996     -0.08269895      0.65022863     -0.43545320       3       0      -1       0      73     -0.09250432      0.53350219     -0.34336044
 Li              7.14655001      2.47495000      6.37820998      0.10313051      0.18249765      0.22259840       3      -1       0      -1      77     -0.01311050      0.14959607      0.18845170
 Li              1.93926999      1.58647996      5.43908002     -0.66312983      0.19072247     -0.44878821       3       0       0       0      77     -0.56190133      0.10624909     -0.21881645
 Li              9.77129002      2.49206004      1.19101005     -0.09658773      0.10407230     -0.06653434       3      -1       0       0      80      0.00062522      0.11838339     -0.00659342
 Li              8.98929000      0.24647695      9.37459000     -0.69063365      0.11695961     -0.53743415       3      -1       0      -1      74     -0.54527375     -0.02687791     -0.49996844
 Li              8.24563005     10.02630005      6.53732004      0.00893939      0.00114138     -0.15759651       3      -1      -1      -1      76      0.05665232     -0.23334023     -0.16915415
 Li              0.52002996      6.79282001      1.82576994     -0.94760306      0.32521611      0.45902397       3       0      -1       0      78     -1.18072571      0.15135190      0.41515218
 Li              0.58741603      4.63971002     10.81980003      0.13772565     -0.55010599      0.17814462       3       0       0      -1      77      0.05129679     -0.50046615      0.42782121
 Li              7.16787005      8.38844002      9.51777005      0.39525012      0.19790342     -0.44713453       3      -1      -1      -1      78      0.52039320      0.18592492     -0.49574982
 Li              9.04965002      6.20549002      0.87919601     -0.37547193      0.09847475      0.30911485       3      -1      -1       0      84     -0.22277674      0.08841934      0.20112230
 Li              4.61734995      5.81425997      7.53474001      0.83442496     -0.13883220      0.89129134       3       0      -1      -1      76      0.86180835     -0.17849982      0.89261339
 Li             10.29630001      3.38912999      8.04898997     -1.53965872      0.38180497     -1.25021146       3      -1       0      -1      78     -1.43617093      0.58390525     -1.10954816
 Li              3.21543004      2.67010997      9.19561005      0.05127008      0.05709940      0.32725026       3       0       0      -1      77      0.12621138      0.17135619      0.30329549
 Li              3.72282004      2.65594999      1.50575005      0.37879341     -0.18232395      0.02563707       3       0       0       0      74      0.24054621     -0.10484204      0.04549862
 Li              9.41617998     10.47670003      0.77517602     -0.13933850     -0.80046595     -0.26488277       3      -1      -1       0      81     -0.11644809     -0.64215376     -0.25598511
 Li             10.38170001      4.88261005      4.21665001      0.42066046     -0.44683999     -0.13588565       3      -1       0       0      78      0.61835452     -0.30804604     -0.06324225
 Li              7.36844005      4.34092999      9.86393001     -0.77963164     -1.32135526      0.22463411       3      -1       0      -1      79     -0.56240963     -1.06869138      0.27960656
 Li              1.11310999      5.82199997      7.43479999     -0.26095141     -1.97824604     -0.86762025       3       0      -1      -1      81     -0.28905320     -1.89139039     -0.76084176
 Li              0.05305026      0.66879701      8.16076002      0.77744415      0.15071682     -0.33602813       3       0       0      -1      76      0.73418510      0.05451678     -0.24986374
 Li              5.47945006     10.68130003      0.80400300      0.06442881      0.04466353     -0.25753839       3       0      -1       0      77      0.08440756      0.08348548     -0.25643413
 Li              4.83991005     10.74319996      5.94897999     -0.71643127      0.21703918     -0.55210379       3       0      -1      -1      79     -0.45368767      0.03173699     -0.61857490
 Li              4.25689997      3.54588002      5.01789995      0.76236720     -1.53046383     -1.10606724       3       0       0       0      76      0.55605314     -1.52713814     -1.19679948
 Li              2.85308000      7.61855995     10.67440004     -1.59059972     -3.40957836     -1.34657596       3       0      -1      -1      75     -1.48245341     -3.31719225     -1.30463546
 Li             11.05579997      9.96888002      3.25972005     -0.36027222     -0.49933010     -0.62521116       3      -1      -1       0      80     -0.57707881     -0.45253932     -0.51494704
 Li              6.95736996      4.52848995      3.64555002     -1.16186141      1.08061806     -1.20053474       3      -1       0       0      83     -1.19366562      1.11790893     -1.33356327
 Li              2.88599997      6.07339995      3.82272998     -0.94322919      0.79511375      0.51280434       3       0      -1       0      76     -0.91712866      0.77957216      0.51223287
 Li             10.02189997      1.54174998      4.60259000      0.22083132      0.10826425     -0.12720978       3      -1       0       0      79      0.27075850     -0.03082163     -0.25857806
 Li              7.03629999      1.29656997      3.10254001     -0.26725686     -0.78171399     -0.00495156       3      -1       0       0      75     -0.26932401     -0.57702514     -0.13701227
 Li              4.54609003      5.73677003      1.17501999      0.38960621     -0.23852674     -0.33529592       3       0      -1       0      76      0.46678230     -0.38528499     -0.09827408
 Li              2.05894998      8.74941996      6.50614998      0.03248732      0.73100427     -1.18704594       3       0      -1      -1      81     -0.06650092      0.57707402     -1.21538079
 Li              1.37417999      0.24356603     11.23009999      1.63064460      0.71371134      0.73515332       3       0       0      -1      76      1.54527144      0.75057586      0.77164075
 Li              8.12891006      5.87942995      6.87130001     -0.34129928      0.60270446     -0.80448364       3      -1      -1      -1      78     -0.28411819      0.73462990     -0.86102853
 Li              9.49617005      7.87957002      4.42518005      2.95428069      0.30524058     -1.38186229       3      -1      -1       0      81      2.81270451      0.35528068     -1.37310274
 Li             10.94180003      8.37751999      9.65559005      0.04195768      0.40398152     -0.06105922       3      -1      -1      -1      77      0.03759181      0.29137591     -0.35313753
 Li              5.10709995      0.23369304      8.86663001      0.24431704      0.37627163     -0.02969686       3       0       0      -1      77      0.35335780      0.36025840      0.17595950
 Cl              9.87232005      8.21172003      2.05102003     -0.55039713      0.73078081      0.35393866      17      -1      -1       0      74     -0.42302623      0.89318387      0.37017809
 Cl              0.87905704      3.11399001      8.47309001      1.96348084      0.42226580      0.02677585      17       0       0      -1      73      1.94736728      0.11261210     -0.00812140
 Cl              0.87833101     11.23160000      2.04207005      2.11567828     -0.29851187     -0.09785309      17       0      -1       0      81      2.16323683     -0.40531225     -0.16426977
 Cl              6.16424006      2.51139001      8.52073995      0.12776159      0.06016152     -0.38127412      17      -1       0      -1      74      0.21541615      0.06426364     -0.48097854
 Cl              9.55679002      0.93169900      6.85248000     -0.37575969      1.13097913      1.18275232      17      -1       0      -1      76     -0.48153175      1.38110833      1.36673596
 Cl              2.32133998      6.03697001      1.16999994      0.25658490      0.64984667     -1.18112399      17       0      -1       0      78      0.37981917      1.02053650     -1.26119934
 Cl              1.04994003      7.74396996      8.00348998      0.60896012      0.78536571      1.06073590      17       0      -1      -1      73      0.76271028      0.78306016      1.16113990
 Cl              9.39919998      0.54045198      2.35452996     -0.99383959      0.40757535      0.53887625      17      -1       0       0      80     -0.91424493      0.27184180      0.45972915
 Cl              3.89021002      4.51375997      2.95072003      0.66022198     -1.18692939      0.52054798      17       0       0       0      80      0.78173640     -1.33288684      0.63377441
 Cl              2.53995998      0.68312298      7.22122006      0.25804180     -1.12884178      1.56132181      17       0       0      -1      74      0.18910502     -0.93084068      1.35192663
 Cl              0.66803004      7.14149005      4.21942005     -0.00569265     -0.49216840      0.12901577      17       0      -1       0      75      0.05928785     -0.42524647     -0.15938493
 Cl              3.71502995      1.16871002      4.37625997      0.65493526      0.06962280     -0.82394341      17       0       0       0      77      0.58446166      0.20616368     -0.80347575
 Cl             10.08200003      5.29254999      6.45730000      0.90142420     -0.29510083      0.10936244      17      -1       0      -1      75      0.72545269     -0.58487210     -0.04652181
 Cl              0.57788103      3.16595002      4.81349997     -0.34731080     -0.22503114     -0.40982223      17       0       0       0      84     -0.37017912     -0.37153427     -0.32859625
 Cl              7.85963002      7.82988998      5.33212999     -2.69919239      0.33562246      1.24371619      17      -1      -1       0      74     -2.68488158      0.36564019      1.23632691
 Cl              3.61459004      9.08424005      0.12833903      1.61363656      3.05674989      1.69084024      17       0      -1       0      74      1.78539306      2.99200332      1.88106119
 Cl              8.23236005      3.03621003      3.66021001      3.79893405     -0.64406014      2.43137436      17      -1       0       0      80      3.76107492     -0.63060868      2.59529171
 Cl              1.96596004      2.60942002      0.04899132     -0.69673505      0.34448509      0.30116438      17       0       0       0      75     -0.57779916     -0.07349652      0.14751664
 Cl              3.43114997      5.01952999      6.04027001     -2.13880920      1.39369518      1.11728107      17       0       0      -1      77     -1.91833406      1.37714278      1.02287475
 Cl             11.03719999     10.27980000      5.27945005      0.42261816     -0.47173244      0.62624716      17      -1      -1       0      83      0.34550516     -0.47065656      0.56012646
 Cl              6.56696997      4.93232005      5.66396001     -0.75249337     -0.45103245      0.87720742      17      -1       0      -1      75     -0.57289841     -0.58465472      1.01522086
 Cl              5.61486003      9.67833004      7.72702004     -0.21166133     -1.20741282      0.73603144      17       0      -1      -1      75     -0.34331411     -0.90041501      0.78939294
 Cl             10.81539996      6.70780005     10.95639998      0.55889493      0.43126408     -1.50298986      17      -1      -1      -1      77      0.46190824      0.53502978     -1.35532158
 Cl              6.75629000      6.37363996      1.92879999      0.16646026      0.03239228     -0.39508997      17      -1      -1       0      74      0.02340003      0.25184154     -0.30951053
 Cl              7.44458003     10.48920001     10.71970002      0.02017007     -0.25737334      0.16118711      17      -1      -1      -1      74     -0.04375416     -0.30014363      0.06895965
 Cl              4.22552005      5.01156996      9.87383996      0.05894232      0.71188074     -0.40341628      17       0       0      -1      81      0.07892570      0.69086976     -0.51911731
 Cl              9.40427001      3.31549998      9.96328997     -0.47398504     -0.76854116      1.18176474      17      -1       0      -1      74     -0.70190563     -0.78641903      0.88370102
 Cl              4.43673995      1.00674998     10.81720006     -0.00513361     -0.33167724      0.28887000      17       0       0      -1      77     -0.11993005     -0.44429262      0.17897831
 Cl              9.43067002      9.02497005      8.32168003     -1.10144605      0.45971947     -0.31146977      17      -1      -1      -1      75     -1.09059125      0.73994609     -0.03283137
 Cl              8.08373005      6.01243998      8.91369006     -0.70213948      1.59395369      1.08705055      17      -1      -1      -1      77     -1.01832615      1.27528866      1.09910240
 Cl              3.83187003      8.22517004      4.09362004     -0.31485192     -0.23829019      0.80058124      17       0      -1       0      78     -0.33006572     -0.28489058      0.54715063
 Cl              6.05859997     10.35149999      2.95748998     -0.24466465     -0.27829895     -0.64600453      17      -1      -1       0      78     -0.17130150     -0.21845079     -0.81918053
 Cl             10.54480004      4.59649995      1.52043006     -0.22197326     -0.65241649      1.44771862      17      -1       0       0      78     -0.45637848     -0.72970829      1.41095568
 Cl             10.92029998     11.14660005     10.32950005     -0.62035437     -0.38813510     -0.71636918      17      -1      -1      -1      78     -0.60216263     -0.36959685     -0.75205481
 Cl              6.29164003      3.05155004      1.93050003     -1.70896072     -0.49397851     -2.26705191      17      -1       0       0      74     -1.89772932     -0.45191441     -2.35448547
 Cl              6.69123005      0.39892199      5.73541000      0.87062269      0.61869320     -0.52854329      17      -1       0      -1      77      0.76261485      0.88148112     -0.30119804
 72
 energy=-253.58792650050762 stress="-0.02469275      -0.00268365       0.00215618      -0.00268365      -0.02652839       0.00021705       0.00215618       0.00021705      -0.03473856" free_energy=-253.54388977 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.23566701       0.00000000       0.00000000       0.00000000      11.23566701       0.00000000       0.00000000       0.00000000      11.23566701" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              9.48596996      7.84459001     10.13829997      0.46437535     -0.83890068      0.02801250       3      -1      -1      -1      81      0.48467128     -0.71984628     -0.12859978
 Li              5.95977002      3.64468005      2.96547004      0.05930255     -0.54577326      1.57153954       3      -1       0       0      82      0.25435317     -0.55748831      1.36102630
 Li              0.35467697      7.02050002      3.64148002      0.17819321      0.16290640     -0.10991778       3       0      -1       0      78      0.20758801      0.07293945      0.12986247
 Li              7.15878995      5.65251003      5.54737003     -1.04722369     -2.05529868     -1.49991182       3      -1      -1       0      84     -0.90289926     -1.89817732     -1.35447786
 Li              8.26985001      0.77334399      1.15215001      0.39511018      0.14356086      0.55834121       3      -1       0       0      78      0.48106158      0.16764147      0.56305912
 Li              8.77572996      4.16314001      8.88380000     -2.87524492      3.25296386      1.51520728       3      -1       0      -1      79     -2.68256450      3.13247011      1.49381101
 Li              4.98949995     10.64329995      3.30705005     -0.19041070     -0.90017864      1.23484914       3       0      -1       0      80     -0.09662122     -0.82406590      1.12036945
 Li              2.38335002      0.88228401      1.21698004      0.48739234     -0.20582175      0.51697413       3       0       0       0      78      0.56552500     -0.38721550      0.24545174
 Li              9.01537000      4.85638999      1.56794003      0.14614556     -0.62223225     -1.70177417       3      -1       0       0      75      0.18757205     -0.69442197     -1.79765814
 Li              4.63653001     10.87449998      7.37781996     -0.29775284     -0.08384962     -0.31860967       3       0      -1      -1      81     -0.19038843     -0.02971168     -0.25062318
 Li              1.67100997      9.01055001      6.37015995     -0.19518532      0.73692146      0.16032164       3       0      -1      -1      80     -0.18482361      0.72750077      0.06518029
 Li              7.97633001      0.27841399      8.62376004     -0.31262297      0.00295652     -0.28183776       3      -1       0      -1      85     -0.05612212     -0.00430976     -0.08347368
 Li              2.26759996      4.90754003      5.26132995      1.41624877      0.05951931     -0.04549665       3       0       0       0      78      1.16659669      0.34181314      0.00978763
 Li              2.93063004      4.02679002      1.33182001     -0.40644120      0.65440785     -0.66440031       3       0       0       0      81     -0.30886567      0.57283821     -0.74445486
 Li              8.37880003      8.11868995      2.56033998     -0.16034692     -0.12789749      0.51829163       3      -1      -1       0      74     -0.14669252     -0.03757442      0.61328170
 Li              2.52673005      1.15755999      4.81288998      0.41827281     -0.23456503     -0.16571102       3       0       0       0      80      0.45479032     -0.24391191     -0.03082828
 Li              1.04944995      9.28696000      0.99398901     -0.47339501      1.60735137      0.25863408       3       0      -1       0      81     -0.44719538      1.65367266      0.27598962
 Li              0.12951904     10.49309998      9.38177004     -0.57208288      1.16035116     -0.49482437       3       0      -1      -1      79     -0.65700191      1.00760158     -0.55905395
 Li              4.22958999      7.61723000      4.94462998     -0.30535935     -0.49943875      0.27253219       3       0      -1       0      79     -0.13639735     -0.46233591      0.39014536
 Li              6.64131996      9.17338999     11.09710000      0.44429189      0.03918093      0.10011955       3      -1      -1      -1      82      0.09289204      0.01356219      0.17849970
 Li              3.86895003      5.83445997      8.30083000     -0.60313600     -0.30853955     -1.07461165       3       0      -1      -1      79     -0.51253153     -0.43301516     -0.89956885
 Li              6.64626995      7.65726998      8.18352998      0.77936964      1.77525674     -1.67474615       3      -1      -1      -1      79      0.71813063      1.71546198     -1.90087947
 Li              8.04236000      9.31604004      5.99978001      1.16806207     -0.36140414      0.29357896       3      -1      -1      -1      73      1.17038468     -0.48520106      0.53594010
 Li              1.03788002      5.83603005     10.71110001     -0.45484687      0.11270156      0.17657334       3       0      -1      -1      75     -0.44774544      0.02009121     -0.10150289
 Li              7.37496003      0.98830803      5.05091995     -0.06286110     -1.88916201     -0.34699821       3      -1       0       0      78     -0.18691949     -1.87395009     -0.46695578
 Li              2.60379999      1.69861005      8.88855999     -0.10313431     -0.66524433      0.53868125       3       0       0      -1      79     -0.17422001     -0.45084366      0.58808495
 Li              6.02898004      5.36836001     10.96249997      1.01557137      0.96939188     -0.83741626       3      -1       0      -1      78      1.10159044      0.99302372     -0.92861575
 Li             10.15609997      1.77514000      6.60076999      0.10750393     -0.36942258     -0.62838302       3      -1       0      -1      81      0.23601004     -0.26827030     -0.47753512
 Li              4.33476999      7.23390005      1.87167999     -1.21061151     -0.36528112     -0.38784687       3       0      -1       0      83     -1.27514506     -0.11465071     -0.24192028
 Li              5.07509000      2.80292005      7.02884003     -0.10384890      0.27161689     -0.47868028       3       0       0      -1      80     -0.21613090      0.27615947     -0.26143402
 Li             11.05829998      2.94801004     10.41429998     -0.18403606     -0.21505473      0.15863366       3      -1       0      -1      76     -0.29321513     -0.13460209     -0.05075832
 Li             10.51879999      6.02891004      6.76644001      0.15335925      0.25401801     -0.51909857       3      -1      -1      -1      76      0.18458208      0.11962295     -0.54442553
 Li             10.13120004     10.64480002      3.87518998     -0.64377462      0.99317875      0.11382135       3      -1      -1       0      82     -0.56438559      0.81374541      0.12249742
 Li             11.11079999      3.27262003      3.08776005     -0.27694356     -0.33687871      1.49906799       3      -1       0       0      78     -0.28482176     -0.18511872      1.49735113
 Li              3.24313000      8.86937003      9.92988004     -0.40074379      0.34915803     -1.42229639       3       0      -1      -1      80     -0.45244578      0.36245875     -1.33324910
 Li              5.63073003      2.10580995     10.93519999     -0.00832472     -0.01098636      0.52342434       3      -1       0      -1      82     -0.02375764     -0.10784701      0.55758504
 Cl              9.09048998      9.90271995      9.95439997     -0.94526856      0.65106831      0.66535339      17      -1      -1      -1      75     -1.13459741      0.59166065      0.57949879
 Cl             10.12059998      9.55482999      2.13657994     -0.36559124     -0.86879206     -1.80379925      17      -1      -1       0      80     -0.31236759     -0.90820064     -1.74594450
 Cl             10.27029996      5.54126996      8.94963000      1.04868542      1.74473186      0.33510442      17      -1       0      -1      82      1.05078958      1.82383160      0.31560232
 Cl              7.76206999      6.67566998     11.01079997      1.41229170      1.13469837      1.39201141      17      -1      -1      -1      81      1.22438949      1.27196142      1.43810667
 Cl              0.55237000      0.35481495      0.20529597     -0.67409407      0.79696939     -0.39856608      17       0       0       0      77     -0.42077408      0.65971662     -0.14920480
 Cl              8.28429998      3.32429994      0.16557002     -0.45658360     -1.07966030     -0.61647307      17      -1       0       0      80     -0.54623532     -1.00419755     -0.46594795
 Cl              5.40475998      4.14702998      1.06021001     -1.36577860     -0.81357544     -0.00557633      17       0       0       0      73     -1.34316245     -0.81978392     -0.02106586
 Cl              9.53436995      2.61087003      8.44884003      1.82821864     -4.29590947     -0.73362187      17      -1       0      -1      75      1.62528525     -4.17228118     -0.94233409
 Cl              6.12644002      0.16486701      1.87996001      1.52752852      1.33695618     -2.50719639      17      -1       0       0      82      1.54258341      1.27149595     -2.25108594
 Cl              4.42977003      8.33455004      7.21409000     -2.20923905      0.15178218      0.39123178      17       0      -1      -1      77     -2.23344359      0.38121718      0.35126871
 Cl              1.86514005     11.15690004      7.33842996      0.14700221      0.36024051      0.07262489      17       0      -1      -1      82      0.17619613      0.30521666     -0.10881316
 Cl              3.73626994      0.89092604     10.69840000     -1.02238024     -0.33813362      1.03520596      17       0       0      -1      82     -1.23378306     -0.31998528      1.26561613
 Cl              5.64503000      1.44416006      8.83099001      1.62446862      0.52214216     -1.49231142      17      -1       0      -1      77      1.51562113      0.58746200     -1.75682837
 Cl              2.86833995     10.51179995      3.07750998     -1.39522572      0.08846260     -0.37105187      17       0      -1       0      80     -1.28691839      0.25494751     -0.38336007
 Cl              5.70741997      6.30460994      9.17549005     -1.56381213     -1.86702973      0.69074927      17      -1      -1      -1      81     -1.52396927     -1.74067777      0.79180497
 Cl              7.27711996      2.98444001      5.14500001     -0.22389379      1.97461072      0.26905669      17      -1       0       0      77     -0.22867994      1.86566134      0.41620218
 Cl              1.73218997      7.06795004      5.61602996     -0.41704226      0.08343456      2.25863093      17       0      -1       0      78     -0.48132880      0.29741254      2.38724600
 Cl              9.39122003     10.87640004      7.02516001      0.97929716      1.30084906     -0.42605202      17      -1      -1      -1      77      0.55951062      1.14325738     -0.44168579
 Cl              5.07079000      5.53850003      6.24282995     -0.46616659     -1.13483841     -0.61741180      17       0       0      -1      82     -0.27511072     -1.30576759     -0.73344384
 Cl              4.74050004      0.76782796      5.13825996      0.30731841      0.23867538      1.17229693      17       0       0       0      82      0.01723063      0.18916055      1.04009052
 Cl              6.62002995      9.94424001      7.35842001      0.24126959      0.96602724      1.54917791      17      -1      -1      -1      74      0.34643033      1.15008721      1.55791797
 Cl             10.90340002      9.20166994      5.07093000      0.75757972     -1.12342808      0.72378005      17      -1      -1       0      79      0.72297834     -0.98131147      0.85010653
 Cl              9.58472001      1.55827005      3.27286003      0.16459112     -0.05107303      0.15326388      17      -1       0       0      81      0.05516633     -0.14454180      0.18262303
 Cl              8.01896004      7.12580001      6.38201998      1.99630259      1.17312756      1.54503259      17      -1      -1      -1      78      1.95535986      1.17276578      1.65769681
 Cl              5.67764995      7.69813995      3.28632002      1.17249259     -0.30401691      0.18460616      17      -1      -1       0      78      1.15073432     -0.35865092      0.21479910
 Cl              3.49692001      3.15955001      3.12969999     -0.63691724     -1.40360894      1.27362001      17       0       0       0      77     -0.76695468     -1.36152929      1.30497533
 Cl              7.39962996      9.78890994      4.15091999      0.54194172      1.26633436     -0.62571309      17      -1      -1       0      78      0.55711986      1.21372794     -0.88532766
 Cl              2.80072000      3.37445001      7.68925995      1.36659677      0.35275571     -3.55252881      17       0       0      -1      78      1.55158870      0.19275199     -3.61967098
 Cl              0.23175799      4.55075996      5.07239996     -1.38139500     -1.30310815      0.05041242      17       0       0       0      77     -1.41935871     -1.32825020      0.00962873
 Cl              2.84527998      6.26947994      3.34611995      1.00530939     -1.02168195     -1.09124771      17       0      -1       0      80      1.13998058     -1.06932923     -1.48937322
 Cl              4.55389999      8.67213003      0.16591900      0.75540894     -0.13317238      0.80483771      17       0      -1       0      83      1.03373919     -0.51486165      0.62655525
 Cl              1.35127996      7.32432998      1.15533004     -0.33856598     -1.97637374      0.22446223      17       0      -1       0      77     -0.26958403     -1.98848170      0.24580773
 Cl             11.17180000      3.97193997      1.22211002      0.51283678      0.77134599     -0.83999423      17      -1       0       0      76      0.52740272      0.74476947     -0.89379851
 Cl              9.04327996      5.80214002      3.26242996     -0.31245182      1.43169276      1.67018136      17      -1      -1       0      80     -0.39059417      1.41622815      1.51231034
 Cl              1.11329000      8.81929997      9.95494996      0.09192603     -1.22027570     -1.22422181      17       0      -1      -1      82      0.12013007     -1.28583016     -0.98805705
 Cl              1.85622005      3.89659999     10.01340003     -0.05153174      0.67926111      2.45808296      17       0       0      -1      76     -0.07023204      0.69230310      2.53617650
 72
 energy=-256.93517416862994 stress="-0.01846661      -0.00679987      -0.00211815      -0.00679987      -0.03439438      -0.00050056      -0.00211815      -0.00050056      -0.02522734" free_energy=-256.54492321 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.16415758       0.00000000       0.00000000       0.00000000      11.16415758       0.00000000       0.00000000       0.00000000      11.16415758" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              0.99960998      7.95221002      9.23646002     -1.24681645      0.54436671     -0.12187666       3       0      -1      -1      81     -1.25368908      0.44589050     -0.01053389
 Li              9.12861001      1.45679005     10.73529998     -0.86459664      0.46823801      1.43531278       3      -1       0      -1      80     -0.90546508      0.54499965      1.46333297
 Li              9.64139004      6.01535997      6.84122998     -0.25429725     -0.90333752     -0.79193749       3      -1      -1      -1      81     -0.25799598     -0.98216160     -0.64744802
 Li              6.89631002      8.64572994      5.15003002     -0.18197320     -0.28803947     -0.32788238       3      -1      -1       0      85     -0.00002590     -0.13439055     -0.33193483
 Li              6.51638995      2.72078000      1.80124003     -0.07773648      0.33294413     -0.46014068       3      -1       0       0      79      0.05451992      0.32056230     -0.29507202
 Li              8.86353998      6.81248004     11.05360004     -0.12327415      0.38746369      0.27877030       3      -1      -1      -1      76     -0.03579667      0.44429685     -0.04030060
 Li              8.75670000      0.47672002      4.17249002     -0.59110937      1.14650803     -0.24576243       3      -1       0       0      78     -0.65440953      1.21497610     -0.16979102
 Li              7.52163001      4.12144995      9.26838002      0.34153731      0.25507102      0.27609321       3      -1       0      -1      77      0.21034705      0.20443540      0.27094708
 Li              4.63260001      6.96522000      8.34268000      0.27782645     -1.10355645      1.01407276       3       0      -1      -1      77      0.29963809     -1.38513357      0.83107034
 Li             10.02910002      2.63922996      7.19451003      0.05729480      0.28171584     -0.85591576       3      -1       0      -1      79     -0.01729831      0.14798911     -0.73182765
 Li              7.77989995      8.60298004      8.62131002      1.05282148      0.18695011      0.98722250       3      -1      -1      -1      80      1.12379805      0.01486798      1.00049955
 Li              1.37574998      5.07873995      7.62689004     -0.25062749     -0.50665326     -0.10753380       3       0       0      -1      80     -0.14355049     -0.35868085     -0.19514879
 Li              0.66554701      0.02083466      3.79053003      0.12031681     -0.14752230      0.12295689       3       0       0       0      81     -0.04056018     -0.18264089      0.15102233
 Li              4.80562000      0.32790404      4.32494005     -0.29576672     -0.43576042     -0.33292624       3       0       0       0      80     -0.17603563     -0.48066411     -0.41085091
 Li              3.33468999      9.66807997      6.29928995     -0.34796741      1.63373894     -1.92043293       3       0      -1      -1      81     -0.26020364      1.67922709     -2.19796921
 Li             10.93450003      4.64547005      0.53397998     -0.00503075     -0.99127412     -0.16953035       3      -1       0       0      74     -0.07133737     -0.82220531     -0.11655951
 Li              6.22494995      3.20265005      6.04306003     -0.17262431     -0.10651240      0.36095290       3      -1       0      -1      78     -0.25392388     -0.13032129      0.36247934
 Li              4.16686998      4.04563002      9.74133995     -0.57049685      0.19274856     -1.92104713       3       0       0      -1      82     -0.51296149      0.20110364     -1.87278286
 Li              4.37638003      1.27792003      8.98312999     -0.05870150     -0.24787927     -0.30394543       3       0       0      -1      76      0.15037440     -0.27681261     -0.41427390
 Li             10.70080005      9.81759003      6.63871997      0.63609418     -0.47224184      0.81166465       3      -1      -1      -1      79      0.52945269     -0.46871142      0.88651755
 Li             10.65050005      3.59141996      4.29713003     -0.13610134      1.19852562     -0.66218888       3      -1       0       0      77     -0.20044247      1.17226464     -0.59571222
 Li              2.37325005      2.31984998      5.07188003     -0.93909170     -1.23575285      0.80179558       3       0       0       0      84     -0.72793314     -1.14592419      0.69021237
 Li              2.67173999      4.59479002      2.32942995      0.55659548      0.02092094     -0.02438154       3       0       0       0      78      0.53570859     -0.09088925     -0.02351681
 Li              7.26948003      5.28243995      3.98687998     -0.81773771     -0.88049205     -1.38681562       3      -1       0       0      80     -0.84758530     -0.99715309     -1.37665010
 Li              6.45219001      9.65808995      0.84927901     -0.25863626      0.21515750     -0.24187690       3      -1      -1       0      84     -0.21591496      0.20978777     -0.15877781
 Li              0.48889599      7.71923001      4.41574998     -0.78281081      0.10789691      0.19623891       3       0      -1       0      77     -0.45327051      0.23351611      0.05833998
 Li              7.59118003      0.44197303      7.67345005     -0.44327450      0.64612337      0.31536702       3      -1       0      -1      83     -0.38271434      0.66303852      0.23405281
 Li              3.76623001      8.16117000      2.71263006     -0.35710012     -0.65502516     -0.58979677       3       0      -1       0      80     -0.57600810     -0.72411075     -0.42384582
 Li              1.46023999      1.07108001      8.49726004     -0.34962335      0.61383037      0.94351726       3       0       0      -1      77     -0.32431560      0.35156642      1.12228392
 Li              0.41108103      0.50779400      0.34047197      0.41135536     -0.22113524      0.15436427       3       0       0       0      77      0.47032051     -0.28968272      0.41270590
 Li              5.72169998      6.60255000      0.37959397      0.03448202      0.00804222      0.52350933       3      -1      -1       0      82     -0.00359669      0.01424817      0.60466579
 Li              4.08069999      0.86057602      1.07911999     -0.28685861      0.17700651     -0.30764183       3       0       0       0      81     -0.25115147      0.27942311     -0.17489059
 Li              3.64475002      9.44573003      9.45773999     -0.78110889      0.62150963      1.14956980       3       0      -1      -1      84     -0.88973706      0.50474959      1.25752886
 Li              1.35390005      7.94632003      1.11944995      0.88545136      0.80646409      0.66037181       3       0      -1       0      80      0.80539713      0.79522718      0.85388829
 Li              3.73097003      5.33348002      5.66112996     -0.41829636      0.76852579     -0.06394917       3       0       0      -1      79     -0.33780771      0.63062396     -0.27195308
 Li              8.92098995      9.07506002      2.14431002      0.86163644      0.28591542     -0.13717982       3      -1      -1       0      78      0.82877868      0.43009920      0.00176530
 Cl              5.10368995      5.59630996      2.44539998      0.13631740      0.50818033      0.52789968      17       0      -1       0      77      0.30592836      0.62638045      0.41320982
 Cl              8.34206999      4.01324001      0.53540397      0.14901243     -0.01017373     -0.11710135      17      -1       0       0      79      0.27386323     -0.17913394     -0.42111474
 Cl             10.83189997      1.72646005      4.99338997      1.12810831     -1.41039722      0.60967343      17      -1       0       0      79      1.33341365     -1.49753993      0.31379265
 Cl              8.59430002      3.49775000      5.05130995     -1.81876767      0.46884307      0.06087728      17      -1       0       0      82     -1.79747965      0.61962592      0.18848996
 Cl              3.71472004      3.65511996      4.38620002      0.91453198      0.16712918     -0.65641117      17       0       0       0      78      0.83233710      0.18719520     -0.46571124
 Cl              1.87125995      8.37711004      5.85785001     -1.77865178     -1.07124965      0.22935178      17       0      -1      -1      83     -2.03489029     -1.08065438      0.57317784
 Cl              4.21091995      8.71719998      7.65890996      1.82895148      0.21040070      0.73142793      17       0      -1      -1      78      1.86454566      0.12828905      1.05985350
 Cl             10.04440005      4.36191999      8.55211000      0.17124125      0.83745318     -0.00644096      17      -1       0      -1      76      0.18661184      0.83975584     -0.14746011
 Cl              9.34043003      1.42693999      8.82289999      0.16319098     -1.11070994     -2.06980472      17      -1       0      -1      78     -0.00144418     -0.97305051     -2.09638137
 Cl              0.01184238      6.74834999      0.20075600     -1.18054931     -0.63855371     -0.76293811      17       0      -1       0      83     -1.10145611     -0.73265293     -0.91138168
 Cl              8.39413002      9.27138005     11.04186953      0.83179362      0.92840460     -0.65215796      17      -1      -1      -1      78      0.75073176      0.72881736     -0.45336905
 Cl              0.52101002      5.15838997      5.40866001      0.03163576      0.09682122      0.59864106      17       0       0       0      78     -0.11116529     -0.08131605      0.82905192
 Cl              5.97218002      2.60063000      8.64126997      1.66651138      0.14349170     -0.11537817      17      -1       0      -1      78      1.45912401      0.12755167     -0.00243018
 Cl              3.05549004      3.04891000      7.73759003     -1.46292534      0.08291330      0.17033070      17       0       0      -1      85     -1.52733974     -0.07903249      0.21996128
 Cl              0.57059596     10.05499998      9.70350998     -1.19697020     -0.44265461      0.00978560      17       0      -1      -1      81     -1.10268175     -0.42027299     -0.09988384
 Cl              3.55133003      8.24108996      0.28694598      0.40020356     -0.23929590      0.56804424      17       0      -1       0      78      0.43220844     -0.23590912      0.68233013
 Cl              2.36223002      6.45000005      8.98166000      0.93184201     -1.22010946      0.11611835      17       0      -1      -1      82      0.86947195     -1.00697600     -0.08600196
 Cl              8.04762996      6.71394005      5.05434995      0.95680957      1.26884845      1.52279155      17      -1      -1       0      83      0.96850995      1.25832509      1.63107804
 Cl              9.79261994      9.93647000      4.70454999     -1.07332105     -0.65563921      0.48203050      17      -1      -1       0      82     -0.80957689     -0.65839204      0.45913481
 Cl              9.94015004      7.77248003      7.82505998      0.68255270      1.10591372      0.60828613      17      -1      -1      -1      76      0.67198254      1.03390964      0.40021339
 Cl              4.59944001      3.51602996      0.43521704      0.58466411     -1.03785748      1.05639111      17       0       0       0      79      0.53252311     -1.05239871      1.10720343
 Cl              4.70330999      8.91705001      4.41667002      0.87507980      0.72562685      0.31631910      17       0      -1       0      79      0.80070014      0.75319166      0.28665095
 Cl              1.86335004      6.84992005      3.11764995      1.42878198     -1.98396276     -1.20081448      17       0      -1       0      77      1.50314633     -1.67562354     -1.36274714
 Cl              7.32680005      9.64585001      7.00320996     -0.08277824      0.02553930     -0.52268206      17      -1      -1      -1      80     -0.04102240      0.01252408     -0.67968089
 Cl              9.42260995      0.80158797      1.48001004      0.50276881     -0.23206212      1.36363386      17      -1       0       0      82      0.53059877      0.00324008      1.06587360
 Cl              7.52325004      7.40225000      1.98822996     -0.19879801     -0.22089450      0.15414732      17      -1      -1       0      80     -0.10100501     -0.17007336     -0.01035506
 Cl              1.54314000      2.64331001      0.90406902     -1.24375256      1.06055114      0.32254844      17       0       0       0      80     -1.36534707      0.94529817      0.38387486
 Cl              1.99323005      0.14534237      6.80894000     -0.05434742      0.07454546     -1.51755994      17       0       0      -1      78     -0.10785233      0.08495139     -1.45423586
 Cl              6.07893996      0.51744296      2.42018004      0.25782660     -0.06405825     -0.59180038      17      -1       0       0      82     -0.11352519      0.04160061     -0.80339346
 Cl              2.77579998      0.52110402     10.10239997     -0.56068674      0.92743904      1.27875430      17       0       0      -1      85     -0.54971841      0.93293247      0.94955221
 Cl              0.41595999      9.28964004      2.69357998      0.01028052      0.52933849     -1.79775132      17       0      -1       0      81      0.13093580      0.54365360     -1.75227581
 Cl              2.79347006      0.70051896      3.28299994      0.02566767     -0.15208120      0.02247379      17       0       0       0      77     -0.01614550     -0.05506143      0.17689506
 Cl              5.10796002      5.22917999      7.31566994      1.08921789     -0.08487208     -0.70964976      17       0       0      -1      85      0.96417980     -0.03276343     -0.61111879
 Cl              6.43232004      0.89626404      5.63772999      0.20752498      1.03156421     -0.00678267      17      -1       0      -1      78      0.17509525      1.24653940     -0.10648703
 Cl              5.30858998     10.63979998     10.11160002      2.48913431     -0.05951428      0.55461713      17       0      -1      -1      76      2.44276912     -0.00540615      0.53713129
 Cl              7.11201003      6.93705998      9.58494004     -1.43585431     -2.26339894      0.36411161      17      -1      -1      -1      76     -1.46263154     -2.21093575      0.44508068
 72
 energy=-255.26137531573639 stress="-0.02780035      -0.00344308      -0.00000361      -0.00344308      -0.03951044      -0.00439940      -0.00000361      -0.00439940      -0.02955441" free_energy=-254.64373329 cutoff=6.70000000 nneightol=1.20000000 pbc="T T T" Lattice="11.08723799       0.00000000       0.00000000       0.00000000      11.08723799       0.00000000       0.00000000       0.00000000      11.08723799" Properties=species:S:1:pos:R:3:forces:R:3:Z:I:1:map_shift:I:3:n_neighb:I:1:force:R:3
 Li              8.80979003      6.19535999      2.64082997      0.00135866      0.20911385      0.15210112       3      -1      -1       0      80     -0.16400233      0.22787624      0.07200980
 Li              6.55129005      3.29922996      6.88607995     -0.83206699     -1.00999177     -0.55859833       3      -1       0      -1      84     -0.80275065     -1.11639879     -0.75682420
 Li              3.74469002      4.07137005      0.20076205     -0.65977146     -0.76316518     -0.54461102       3       0       0       0      82     -0.68860730     -0.62980160     -0.68201894
 Li              2.95457995      6.26897005      5.25922003     -0.23318961     -0.42940487      0.24320887       3       0      -1       0      82     -0.18845542     -0.40610485      0.22717397
 Li              0.98830398      3.47368000      9.84235005     -0.93294375     -1.20013265     -0.57273657       3       0       0      -1      79     -0.79640280     -1.08034760     -0.60433134
 Li              0.25532202      4.66174995      4.20700001     -0.02943651      0.52685247      0.71988778       3       0       0       0      83      0.15928471      0.64453071      0.45706640
 Li              8.00274000      0.86392002      0.36554601      2.32714920     -2.17465467      0.17059224       3      -1       0       0      80      2.32862914     -2.03300437      0.28465161
 Li             10.34699999     10.40129996      0.41833003     -0.02431580     -0.41942103     -0.16751434       3      -1      -1       0      79     -0.22609922     -0.23583723     -0.26305982
 Li              2.89616995      0.77751795     10.58679998      0.16436156     -0.67338681     -0.71640695       3       0       0      -1      82      0.02294685     -0.55753745     -0.63822760
 Li              6.17930002      6.17311999      8.54157001     -1.23148026      1.45271072      1.49603038       3      -1      -1      -1      82     -1.17080557      1.57573533      1.51719887
 Li              6.37922000      9.82601999      8.46028004      1.56879617     -1.37805061      0.48311410       3      -1      -1      -1      83      1.56235728     -1.63390847      0.32770250
 Li              8.38308005      9.16120004      4.00545997     -0.94809029      0.83552532      0.01518899       3      -1      -1       0      81     -1.11751805      0.48854883      0.07820082
 Li              0.72906695      6.19594995      0.86891704      0.20885730      0.48418628     -1.35783220       3       0      -1       0      82      0.24751189      0.37696243     -1.19206547
 Li              6.63669005      4.37818996      3.81812002     -0.04208402     -0.25155159     -0.21560282       3      -1       0       0      81     -0.14083526     -0.27481173     -0.50882410
 Li              3.25116002      3.06457001      6.39130996     -0.08569125      0.01384552     -0.60512924       3       0       0      -1      77     -0.11264043     -0.02848365     -0.47492919
 Li              9.33396005      1.19628005      4.14049998      0.24728241     -0.36313637     -0.04357607       3      -1       0       0      76      0.17686906     -0.28822454     -0.09555838
 Li              1.45969996     10.39659997      4.78040003     -0.50330253      0.21550945      0.06620472       3       0      -1       0      80     -0.33604371      0.32853081     -0.01577841
 Li              9.69513004      8.52976997      6.91241004     -1.66211981     -2.13047314      0.65910983       3      -1      -1      -1      78     -1.80786496     -2.19150012      0.59524511
 Li             10.84549995      2.42143005      1.51852996      0.10128123      0.01746952      1.18662414       3      -1       0       0      80      0.13485321     -0.04180414      0.99167190
 Li              6.75195996      8.55277000      0.85259896     -0.10163105      0.16155043     -0.31669798       3      -1      -1       0      81     -0.00482761      0.02509447     -0.34219201
 Li              6.38943999      7.15227999      5.95582997      0.52449196     -0.01100616     -0.14820850       3      -1      -1      -1      79      0.51498834     -0.04781935     -0.05885197
 Li              2.15406995      0.30629005      7.87230995      3.38711684     -2.69193606     -2.67923430       3       0       0      -1      83      3.20713575     -2.40673629     -2.73505333
 Li              5.58870004      0.34214695      5.63417002      0.02070774      0.11791607      0.15963864       3      -1       0      -1      82     -0.06698010      0.27665694      0.12794980
 Li              7.51726000      4.64992996     11.08012741      0.12203361     -1.81108721     -0.08314256       3      -1       0      -1      79      0.11069194     -1.75165331      0.04083674
 Li              1.89054005      6.30502996      8.48883999     -0.45399691      1.13844441     -1.48126826       3       0      -1      -1      83     -0.32517441      1.09753563     -1.61416314
 Li              5.64119999      1.91135002      9.48924003     -0.58756678     -0.31326159     -0.51140226       3      -1       0      -1      84     -0.68024246     -0.25915248     -0.42927277
 Li              3.07794998      8.52562002     10.88730005      0.26854228     -0.15664450     -0.17032774       3       0      -1      -1      85      0.12791075     -0.17782365     -0.20896716
 Li              9.52497997      0.73241695      8.52205004      0.02944061      0.32029145      0.08625543       3      -1       0      -1      83     -0.02324115      0.46766202      0.03811391
 Li              6.23432997      1.73850996      2.54518003      0.99974634      1.65417626      0.63503051       3      -1       0       0      81      1.15001535      1.94403733      0.78562050
 Li              9.35452998      7.26874999      9.71578002     -0.26480690     -0.33644315      0.48513848       3      -1      -1      -1      88     -0.23815954     -0.29090985      0.28581678
 Li              3.80444003      8.77312997      7.27079004      0.21248272      0.68663804      0.33679208       3       0      -1      -1      83      0.19774045      0.35955826      0.25152428
 Li              4.61627997      8.94769997      3.57318996      0.18474170      0.35103451     -0.25299138       3       0      -1       0      83      0.06096238      0.19975384     -0.10281170
 Li              9.51685003      4.77360998      7.25415996      0.18401699     -0.00934801     -1.11912293       3      -1       0      -1      85      0.13707046     -0.08915560     -1.13751552
 Li              3.89441995      6.12998997      2.39188999      0.32535855     -0.05592680      0.32175244       3       0      -1       0      84      0.57287184     -0.10752073      0.31951982
 Li              0.75040799      8.07369998      3.43135004      0.90278246      4.23300896      1.24059652       3       0      -1       0      76      1.06197114      4.22528252      1.43746525
 Li              2.31080004      1.87537005      3.63894005     -0.06082464      0.39625179     -0.67348634       3       0       0       0      81      0.13569202      0.35757821     -0.61833487
 Cl              5.37200995      4.68184003      1.28881004     -0.27625014      0.68359815      0.67045444      17       0       0       0      80     -0.24562058      0.77554993      0.71814508
 Cl              0.26733005      8.14248998     10.29369998     -0.70664662     -0.79289983      0.62832357      17       0      -1      -1      80     -0.80269715     -0.80100707      0.69252132
 Cl              8.91352999      7.37100004      4.93458005      0.45923055     -1.50258978      0.67848318      17      -1      -1       0      79      0.61834692     -1.27418333      0.74431056
 Cl              5.65828997      2.47331999      4.96162005     -0.77735597      1.67044336      0.11207426      17      -1       0       0      86     -0.62934184      1.53083349      0.46096693
 Cl              5.05339000      5.88718001      4.58593997      0.16121861     -0.23400010     -0.38953322      17       0      -1       0      81      0.28063730     -0.00346106     -0.52763038
 Cl              6.60653997      7.98992005      2.98252999     -0.66564863      0.29382684     -0.15369786      17      -1      -1       0      79     -0.56902108      0.43253506     -0.10512440
 Cl             10.13709995      1.79183004     10.75374396     -0.82727500     -0.87604359     -0.09697959      17      -1       0      -1      80     -0.64792783     -1.11219044      0.04080594
 Cl             10.77628598      9.88745005      6.16996002      1.37997202      2.28455239     -0.56468169      17      -1      -1      -1      88      1.54021108      2.58840689     -0.52200954
 Cl              2.27947005      2.08258000      1.05047001      0.04384962      1.03992658     -0.02333607      17       0       0       0      82     -0.12403995      1.06497234     -0.10854039
 Cl              7.21234998      5.15246002      7.24445995      0.66450074     -0.48483431     -1.99795610      17      -1       0      -1      82      0.76780020     -0.57760392     -2.19083850
 Cl              5.31781996      0.14086203      1.99578998     -2.92000300     -3.07454143     -0.75964830      17       0       0       0      82     -2.87469842     -3.11707651     -0.75701275
 Cl              0.99040201      1.40331005      8.60932002     -3.29397509      3.61220003      1.47421455      17       0       0      -1      77     -3.33351195      3.23833440      1.48084245
 Cl              6.60002999      2.06086996      0.27666196     -2.72997748      2.28226400     -1.24629993      17      -1       0       0      80     -2.50710845      1.82859801     -1.46209496
 Cl              2.29715996      4.42846005      3.78419994      1.13396475     -0.70686960     -0.10793602      17       0       0       0      84      0.86019580     -0.68079733     -0.08160464
 Cl              2.12800995      5.17728002     10.08710005      0.49190671      0.09471073      2.66329198      17       0       0      -1      83      0.42975479      0.11824424      2.73695790
 Cl              2.35287998      9.77318996      9.20958996      0.11450426     -0.28214367      0.25655325      17       0      -1      -1      79      0.33153148     -0.30117953      0.17594413
 Cl              7.86320999      6.53408997      0.58499904      0.96745517      1.41847887     -0.16433887      17      -1      -1       0      87      0.99940290      1.52701824     -0.03917782
 Cl              7.32404005      1.84020998      8.18093996      1.84524273     -0.62472982     -0.32687185      17      -1       0      -1      81      1.51565873     -0.57311482     -0.29275280
 Cl              8.37837994      3.41666998      2.02467002     -0.42983170      1.16596008     -0.79066166      17      -1       0       0      85     -0.30249521      1.10086054     -0.65158295
 Cl              9.67168996      9.76049995      2.45026995      0.20224238     -0.86505850     -1.01334743      17      -1      -1       0      82     -0.04477012     -1.02638997     -0.93092719
 Cl              2.59179001      8.19223997      2.03070004      0.98194552     -0.19784296     -1.50562682      17       0      -1       0      84      0.96160425     -0.32428943     -1.42810184
 Cl              7.87377003      7.84350996      8.14485998      0.91402478      0.26990840     -0.07224960      17      -1      -1      -1      84      1.04910189      0.28018565     -0.24074821
 Cl              2.84437004      0.86404597      5.49434997      0.50257122     -0.00919702      0.74013719      17       0       0       0      82      0.18499431     -0.08633008      0.96488791
 Cl              3.81297998      6.60818998      7.33949998      0.02286388     -0.57361042      0.13684498      17       0      -1      -1      77     -0.00333324     -0.45199996     -0.00931373
 Cl              9.81152996      3.31398996      4.26056002      0.36253930     -0.00054692      2.32462648      17      -1       0       0      82      0.42712906     -0.11628231      2.21700707
 Cl              7.31637998      0.36433496      4.02490998      1.67600639     -0.57527521      0.40619951      17      -1       0       0      85      1.72326285     -0.44607691      0.44988111
 Cl              6.33715002      9.41324999      6.11149003     -0.79364754     -0.54654547     -0.40078022      17      -1      -1      -1      85     -0.89759679     -0.46156629     -0.48279220
 Cl              2.55809001      8.44797997      4.86848004      0.25427481      0.37474798      1.13065014      17       0      -1       0      80      0.11335252      0.25591047      1.07805033
 Cl              0.19016199      6.47426002      2.85717003     -2.55103113     -4.16237634     -1.12861487      17       0      -1       0      81     -2.53267454     -4.16395510     -1.10547967
 Cl              0.42157504      0.65669799      3.23538000      0.61271401      0.79516472      0.00835571      17       0       0       0      79      0.72799100      0.93592459      0.33978474
 Cl              0.68927296      5.12470001      6.95489999      0.13115782      0.06794105     -0.59761309      17       0       0      -1      82     -0.11976932     -0.03447845     -0.44294984
 Cl              3.89760997      3.10551995      8.41900004      0.63412886      0.21659706      0.75746023      17       0       0      -1      80      0.66771141     -0.03503226      0.61978247
 Cl              9.40598995      4.83718997      9.28315001      0.57488752     -0.15477502      1.94724706      17      -1       0      -1      85      0.78085316     -0.09395620      1.95934892
 Cl              7.95371001      9.81001002     10.44369999      0.66995925      1.19971885      0.18714128      17      -1      -1      -1      83      0.71148524      1.33527856      0.32878820
 Cl              4.85417994     11.03189194      8.23715004     -1.64339788      1.66659200     -0.18366421      17       0      -1      -1      81     -1.71700323      1.71787802     -0.04853090
 Cl              5.17408002      8.00525004      9.69052995     -0.31335048     -0.10825398      1.16240311      17       0      -1      -1      82     -0.35826679      0.00363277      1.06019951
