#Cohesive energy (eV) vs. nearest neighbor radial distance (A) for various crystal structures #Data presented for interatomic potential 2013--Hale-L-M--Pd-Ag-H-Morse and composition Ag3H #NOTE: These values are for static, unrelaxed structures and use the ideal b/a and c/a ratios for the crystal structure, not the potential-specific values #Calculations from the NIST Interatomic Potential Repository Project #https://www.ctcms.nist.gov/potentials/ #Table generated 2017-01-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.0000000000 1.3368945409 5.7553483880 7.5302518873 2.0201005025 0.9439117977 5.1435036321 6.8654852101 2.0402010050 0.5802943434 4.5618045487 6.2365234705 2.0603015075 0.2506488561 4.0108747061 5.6397977115 2.0804020100 -0.0483725176 3.4910550019 5.0734883478 2.1005025126 -0.3215203780 3.0013233830 4.5402242477 2.1206030151 -0.5730424379 2.5410642738 4.0401822552 2.1407035176 -0.8060376772 2.1090173117 3.5684347293 2.1608040201 -1.0221128338 1.7031553060 3.1201625657 2.1809045226 -1.2186271689 1.3222174874 2.6913795210 2.2010050251 -1.3934971269 0.9649408443 2.2793482411 2.2211055276 -1.5481938112 0.6301869191 1.8831535603 2.2412060301 -1.6844505131 0.3170050014 1.5064418539 2.2613065327 -1.8035650885 0.0245876582 1.1495911291 2.2814070352 -1.9070924628 -0.2477477063 0.8111481595 2.3015075377 -1.9968927419 -0.5005866631 0.4904981221 2.3216080402 -2.0748277067 -0.7344596462 0.1878369346 2.3417085427 -2.1421710751 -0.9491186790 -0.0965401909 2.3618090452 -2.2000707434 -1.1440898131 -0.3623943394 2.3819095477 -2.2492662096 -1.3208283468 -0.6096596423 2.4020100502 -2.2903196824 -1.4810181338 -0.8385835999 2.4221105528 -2.3237466424 -1.6263865626 -1.0500134952 2.4422110553 -2.3500404406 -1.7570888452 -1.2443708659 2.4623115578 -2.3696923945 -1.8707519315 -1.4221181847 2.4824120603 -2.3832009159 -1.9697048778 -1.5838790892 2.5025125628 -2.3910630174 -2.0557165696 -1.7304144217 2.5226130653 -2.3937513725 -2.1313679156 -1.8625680244 2.5427135678 -2.3915514294 -2.1991844881 -1.9810090544 2.5628140703 -2.3846626200 -2.2609476586 -2.0862529466 2.5829145729 -2.3734724504 -2.3175088222 -2.1790163501 2.6030150754 -2.3566798554 -2.3673848555 -2.2600116453 2.6231155779 -2.3343503860 -2.4083828880 -2.3299413916 2.6432160804 -2.3077372820 -2.4408606122 -2.3894272417 2.6633165829 -2.2781000352 -2.4652562244 -2.4390005550 2.6834170854 -2.2465425633 -2.4818778994 -2.4790802060 2.7035175879 -2.2137809931 -2.4911117505 -2.5076582782 2.7236180905 -2.1804500361 -2.4934444239 -2.5232224376 2.7437185930 -2.1469541256 -2.4895031658 -2.5279900097 2.7638190955 -2.1127362997 -2.4800424750 -2.5244910399 2.7839195980 -2.0769725741 -2.4659054106 -2.5153092784 2.8040201005 -2.0399654611 -2.4479537250 -2.5028593147 2.8241206030 -2.0017559966 -2.4268798664 -2.4891763925 2.8442211055 -1.9624423144 -2.4033177814 -2.4755800053 2.8643216080 -1.9222338475 -2.3776593209 -2.4622910620 2.8844221106 -1.8813732914 -2.3502295778 -2.4469561506 2.9045226131 -1.8401445209 -2.3213164018 -2.4289973887 2.9246231156 -1.7988144205 -2.2911792096 -2.4085938039 2.9447236181 -1.7573665127 -2.2600344637 -2.3857069768 2.9648241206 -1.7161318818 -2.2280455006 -2.3604473849 2.9849246231 -1.6753070363 -2.1953222170 -2.3330213958 3.0050251256 -1.6349035476 -2.1619316025 -2.3036910424 3.0251256281 -1.5951744358 -2.1279141487 -2.2727595787 3.0452261307 -1.5562929144 -2.0932990119 -2.2405461516 3.0653266332 -1.5183391515 -2.0581159701 -2.2073589160 3.0854271357 -1.4813104978 -2.0224022445 -2.1734701877 3.1055276382 -1.4450303557 -1.9860699352 -2.1389350790 3.1256281407 -1.4092263984 -1.9487619956 -2.1036106186 3.1457286432 -1.3738597042 -1.9106468754 -2.0676376459 3.1658291457 -1.3389118490 -1.8719752558 -2.0311734298 3.1859296482 -1.3043800610 -1.8330077165 -1.9943828444 3.2060301508 -1.2702750788 -1.7939893480 -1.9574310716 3.2261306533 -1.2366177383 -1.7551296081 -1.9204718089 3.2462311558 -1.2034316889 -1.7165888291 -1.8836336790 3.2663316583 -1.1707386589 -1.6784724964 -1.8470092066 3.2864321608 -1.1385582875 -1.6407768045 -1.8106504365 3.3065326633 -1.1069082099 -1.6032139437 -1.7745727682 3.3266331658 -1.0758041051 -1.5658021545 -1.7387652640 3.3467336683 -1.0452597242 -1.5286241942 -1.7032035663 3.3668341708 -1.0152868497 -1.4917719796 -1.6678615578 3.3869346734 -0.9858953067 -1.4553429171 -1.6327194791 3.4070351759 -0.9570930668 -1.4194330900 -1.5977680913 3.4271356784 -0.9288863578 -1.3841282048 -1.5630096393 3.4472361809 -0.9012797708 -1.3494944167 -1.5284568585 3.4673366834 -0.8742763569 -1.3155717767 -1.4941310587 3.4874371859 -0.8478777314 -1.2823724408 -1.4600591757 3.5075376884 -0.8220841772 -1.2498840994 -1.4262682574 3.5276381909 -0.7968947281 -1.2180772412 -1.3927831125 3.5477386935 -0.7723072654 -1.1869138169 -1.3596263061 3.5678391960 -0.7483186092 -1.1563550086 -1.3268183055 3.5879396985 -0.7249245901 -1.1263667476 -1.2942840197 3.6080402010 -0.7021201463 -1.0969226893 -1.2619027926 3.6281407035 -0.6798993790 -1.0680050852 -1.2297417200 3.6482412060 -0.6582556489 -1.0396042773 -1.1978804780 3.6683417085 -0.6371816170 -1.0117174864 -1.1664012996 3.6884422111 -0.6166693401 -0.9843472664 -1.1353824310 3.7085427136 -0.5967102978 -0.9574983668 -1.1048925767 3.7286432161 -0.5772954835 -0.9311747135 -1.0749868375 3.7487437186 -0.5584154255 -0.9053790943 -1.0457044145 3.7688442211 -0.5400602610 -0.8801132200 -1.0170681182 3.7889447236 -0.5222197670 -0.8553777993 -0.9890781247 3.8090452261 -0.5048834042 -0.8311725918 -0.9616155001 3.8291457286 -0.4880403613 -0.8074964739 -0.9346518438 3.8492462312 -0.4716795787 -0.7843475029 -0.9082061271 3.8693467337 -0.4557897904 -0.7617229628 -0.8823006712 3.8894472362 -0.4403595404 -0.7396194336 -0.8569604626 3.9095477387 -0.4253772161 -0.7180328310 -0.8322116759 3.9296482412 -0.4108310667 -0.6969584696 -0.8080793736 3.9497487437 -0.3967092114 -0.6763911003 -0.7845847149 3.9698492462 -0.3829996686 -0.6563249664 -0.7617421336 3.9899497487 -0.3696903703 -0.6367538409 -0.7395571665 4.0100502513 -0.3567691529 -0.6176710711 -0.7180254838 4.0301507538 -0.3442237753 -0.5990619707 -0.6971333435 4.0502512563 -0.3320419518 -0.5805615416 -0.6768593504 4.0703517588 -0.3202113346 -0.5620243733 -0.6571770054 4.0904522613 -0.3087195194 -0.5435480929 -0.6380574571 4.1105527638 -0.2975540680 -0.5252447968 -0.6194719435 4.1306532663 -0.2867025531 -0.5072334657 -0.6013935751 4.1507537688 -0.2761522803 -0.4896321088 -0.5837984379 4.1708542714 -0.2657038911 -0.4725504601 -0.5666660377 4.1909547739 -0.2545902329 -0.4560836940 -0.5499792864 4.2110552764 -0.2428695826 -0.4403074128 -0.5337242267 4.2311557789 -0.2307329827 -0.4252740837 -0.5178895687 4.2512562814 -0.2183937727 -0.4110111070 -0.5024662364 4.2713567839 -0.2060740035 -0.3975204693 -0.4874465139 4.2914572864 -0.1939915326 -0.3847700744 -0.4728228451 4.3115577889 -0.1823483228 -0.3724760547 -0.4585875842 4.3316582915 -0.1713205659 -0.3605158513 -0.4447330109 4.3517587940 -0.1610510982 -0.3488803350 -0.4312513375 4.3718592965 -0.1516444698 -0.3375613974 -0.4181347385 4.3919597990 -0.1431641575 -0.3263538431 -0.4053753652 4.4120603015 -0.1356328257 -0.3150222529 -0.3929653513 4.4321608040 -0.1290154997 -0.3036197427 -0.3808968304 4.4522613065 -0.1228101832 -0.2922194124 -0.3691619593 4.4723618090 -0.1168255077 -0.2809069537 -0.3577529119 4.4924623116 -0.1110822002 -0.2697750716 -0.3466618923 4.5125628141 -0.1056023350 -0.2589174934 -0.3358811486 4.5326633166 -0.1001068808 -0.2484229850 -0.3254029939 4.5527638191 -0.0940243558 -0.2383697583 -0.3152197872 4.5728643216 -0.0874800114 -0.2288206457 -0.3053239471 4.5929648241 -0.0806490543 -0.2198194632 -0.2957079579 4.6130653266 -0.0737224906 -0.2113887766 -0.2863643881 4.6331658292 -0.0668957799 -0.2035297103 -0.2772858953 4.6532663317 -0.0603580621 -0.1960447957 -0.2684522186 4.6733668342 -0.0542823955 -0.1883935456 -0.2593136462 4.6934673367 -0.0488124333 -0.1804282400 -0.2496419338 4.7135678392 -0.0440616270 -0.1722391334 -0.2395625890 4.7336683417 -0.0401182581 -0.1639304469 -0.2292196191 4.7537688442 -0.0370275681 -0.1556153266 -0.2187688936 4.7738693467 -0.0347917998 -0.1474103342 -0.2083702819 4.7939698492 -0.0333060277 -0.1394297814 -0.1981801298 4.8140703518 -0.0320034779 -0.1317802899 -0.1883443294 4.8341708543 -0.0307584858 -0.1245558808 -0.1789922715 4.8542713568 -0.0295611670 -0.1178338584 -0.1702318953 4.8743718593 -0.0284046844 -0.1116717206 -0.1621460641 4.8944723618 -0.0272846199 -0.1061050709 -0.1547901267 4.9145728643 -0.0261984929 -0.1011474021 -0.1481907505 4.9346733668 -0.0251447692 -0.0967905906 -0.1423463690 4.9547738694 -0.0241220538 -0.0929958428 -0.1372129130 4.9748743719 -0.0231290060 -0.0894746109 -0.1323739961 4.9949748744 -0.0221643201 -0.0861001692 -0.1276570064 5.0150753769 -0.0212267049 -0.0828574201 -0.1230566390 5.0351758794 -0.0203148628 -0.0797319330 -0.1185675382 5.0552763819 -0.0194274729 -0.0766916064 -0.1141566434 5.0753768844 -0.0185631818 -0.0733685029 -0.1092938461 5.0954773869 -0.0177206037 -0.0696569827 -0.1038322752 5.1155778894 -0.0168983297 -0.0656202810 -0.0978718289 5.1356783920 -0.0160949454 -0.0613360055 -0.0915321117 5.1557788945 -0.0153090536 -0.0568924297 -0.0849470093 5.1758793970 -0.0145393002 -0.0523839522 -0.0782584974 5.1959798995 -0.0137844016 -0.0479012637 -0.0716101881 5.2160804020 -0.0130431732 -0.0435367764 -0.0651409557 5.2361809045 -0.0123145580 -0.0393811574 -0.0589789299 5.2562814070 -0.0115976581 -0.0355128826 -0.0532339110 5.2763819096 -0.0108917675 -0.0319947778 -0.0479902505 5.2964824121 -0.0101964096 -0.0288718779 -0.0433215575 5.3165829146 -0.0095113776 -0.0261705703 -0.0392743536 5.3366834171 -0.0088367780 -0.0238988438 -0.0358660204 5.3567839196 -0.0081730756 -0.0220261703 -0.0330541086 5.3768844221 -0.0075211350 -0.0202690178 -0.0304155183 5.3969849246 -0.0068822534 -0.0185467807 -0.0278296511 5.4170854271 -0.0062581772 -0.0168643041 -0.0253037513 5.4371859297 -0.0056511035 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