# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlW3 # 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: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.082563717e+02 nan nan 1.16 3.745912026e+02 nan nan 1.18 3.437860673e+02 nan nan 1.20 3.155605681e+02 nan nan 1.22 2.896658890e+02 nan nan 1.24 2.658794250e+02 nan nan 1.26 2.440025692e+02 nan nan 1.28 2.238605007e+02 3.515781442e+02 4.061408486e+02 1.30 2.053022481e+02 3.248502931e+02 3.759392668e+02 1.32 1.881995391e+02 3.001993163e+02 3.480256648e+02 1.34 1.724429353e+02 2.774445633e+02 3.221979104e+02 1.36 1.579357283e+02 2.564172974e+02 2.982789222e+02 1.38 1.445882451e+02 2.369624142e+02 2.761149885e+02 1.40 1.323146852e+02 2.189404470e+02 2.555707316e+02 1.42 1.210323334e+02 2.022282781e+02 2.365243528e+02 1.44 1.106616813e+02 1.867179420e+02 2.188648612e+02 1.46 1.011265737e+02 1.723142672e+02 2.024905160e+02 1.48 9.235454040e+01 1.589328186e+02 1.873074484e+02 1.50 8.427766591e+01 1.464988118e+02 1.732282347e+02 1.52 7.683388643e+01 1.349464445e+02 1.601706879e+02 1.54 6.996810728e+01 1.242179104e+02 1.480572273e+02 1.56 6.363254641e+01 1.142619871e+02 1.368149375e+02 1.58 5.778624776e+01 1.050324224e+02 1.263760646e+02 1.60 5.239410759e+01 9.648629223e+01 1.166785253e+02 1.62 4.742568346e+01 8.858246067e+01 1.076660423e+02 1.64 4.285389062e+01 8.128035117e+01 9.928773092e+01 1.66 3.865371099e+01 7.453926796e+01 9.149731041e+01 1.68 3.480110738e+01 6.831840217e+01 8.425235449e+01 1.70 3.127229738e+01 6.257740316e+01 7.751388461e+01 1.72 2.804343733e+01 5.727715572e+01 7.124628121e+01 1.74 2.509066836e+01 5.238041205e+01 6.541728097e+01 1.76 2.239183034e+01 4.785217738e+01 5.999787075e+01 1.78 1.992536793e+01 4.365997151e+01 5.496199726e+01 1.80 1.766904385e+01 3.977410747e+01 5.028606880e+01 1.82 1.560154794e+01 3.616800891e+01 4.594828253e+01 1.84 1.370412127e+01 3.281846410e+01 4.192789635e+01 1.86 1.195847066e+01 2.970566463e+01 3.820461816e+01 1.88 1.034734084e+01 2.681291875e+01 3.475826278e+01 1.90 8.855895259e+00 2.412631919e+01 3.156873124e+01 1.92 7.472040156e+00 2.163475322e+01 2.861623732e+01 1.94 6.186340312e+00 1.932734422e+01 2.588161108e+01 1.96 4.991570811e+00 1.719303445e+01 2.334678312e+01 1.98 3.882096956e+00 1.522156054e+01 2.099609163e+01 2.00 2.853279213e+00 1.340332671e+01 1.881353402e+01 2.02 1.901016678e+00 1.172766460e+01 1.678403939e+01 2.04 1.021453306e+00 1.018411899e+01 1.489485551e+01 2.06 2.108173687e-01 8.762480562e+00 1.313555320e+01 2.08 -5.346527792e-01 7.452768224e+00 1.149591021e+01 2.10 -1.218737812e+00 6.245249698e+00 9.967439748e+00 2.12 -1.845247187e+00 5.130541234e+00 8.543207891e+00 2.14 -2.418017396e+00 4.099786335e+00 7.217494612e+00 2.16 -2.940891999e+00 3.144870536e+00 5.985411561e+00 2.18 -3.417671744e+00 2.258608185e+00 4.842544188e+00 2.20 -3.852032069e+00 1.434845789e+00 3.784666564e+00 2.22 -4.247424750e+00 6.684566629e-01 2.807556662e+00 2.24 -4.606994639e+00 -4.476285984e-02 1.906918294e+00 2.26 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2.62 -6.939800045e+00 -6.581979395e+00 -5.938130464e+00 2.64 -6.882717276e+00 -6.678714247e+00 -6.081803623e+00 2.66 -6.808847902e+00 -6.760626348e+00 -6.211392905e+00 2.68 -6.718503554e+00 -6.828755426e+00 -6.327705574e+00 2.70 -6.612176558e+00 -6.884012491e+00 -6.431615912e+00 2.72 -6.490580716e+00 -6.927198965e+00 -6.523916982e+00 2.74 -6.354696752e+00 -6.958764027e+00 -6.605342861e+00 2.76 -6.205883257e+00 -6.978718345e+00 -6.676585759e+00 2.78 -6.046723839e+00 -6.987119600e+00 -6.738309579e+00 2.80 -5.879025477e+00 -6.984048494e+00 -6.791160245e+00 2.82 -5.704461502e+00 -6.969504620e+00 -6.835735973e+00 2.84 -5.524902983e+00 -6.943560106e+00 -6.872163199e+00 2.86 -5.342288391e+00 -6.906379911e+00 -6.900314855e+00 2.88 -5.158488274e+00 -6.858215006e+00 -6.920162170e+00 2.90 -4.975214924e+00 -6.799400895e+00 -6.931742907e+00 2.92 -4.793926774e+00 -6.730359497e+00 -6.935119996e+00 2.94 -4.615727574e+00 -6.651601468e+00 -6.930342779e+00 2.96 -4.441348320e+00 -6.563725592e+00 -6.917416057e+00 2.98 -4.271173360e+00 -6.467505048e+00 -6.896281274e+00 3.00 -4.105300440e+00 -6.364826270e+00 -6.866811324e+00 3.02 -3.943622680e+00 -6.256250105e+00 -6.828817951e+00 3.04 -3.785918495e+00 -6.141945424e+00 -6.782068139e+00 3.06 -3.631936053e+00 -6.022176627e+00 -6.726305393e+00 3.08 -3.481461355e+00 -5.897265036e+00 -6.661271994e+00 3.10 -3.334362866e+00 -5.767553544e+00 -6.586978376e+00 3.12 -3.190610140e+00 -5.633403660e+00 -6.503905134e+00 3.14 -3.050268318e+00 -5.495141176e+00 -6.411627120e+00 3.16 -2.913474110e+00 -5.353013202e+00 -6.309732802e+00 3.18 -2.780401157e+00 -5.207185975e+00 -6.197901210e+00 3.20 -2.651223292e+00 -5.057754481e+00 -6.075898615e+00 3.22 -2.526083040e+00 -4.904761597e+00 -5.943576453e+00 3.24 -2.405070384e+00 -4.748224062e+00 -5.800879265e+00 3.26 -2.288213910e+00 -4.588162641e+00 -5.647878626e+00 3.28 -2.175483781e+00 -4.424634153e+00 -5.484760391e+00 3.30 -2.066804037e+00 -4.257763390e+00 -5.311830410e+00 3.32 -1.962070646e+00 -4.087773069e+00 -5.129537363e+00 3.34 -1.861171555e+00 -3.915009879e+00 -4.938498192e+00 3.36 -1.764005390e+00 -3.739964505e+00 -4.739522927e+00 3.38 -1.670496265e+00 -3.563283308e+00 -4.533634715e+00 3.40 -1.580603088e+00 -3.385769446e+00 -4.322080388e+00 3.42 -1.494322670e+00 -3.208371726e+00 -4.106327141e+00 3.44 -1.411686898e+00 -3.032160384e+00 -3.888041865e+00 3.46 -1.332754649e+00 -2.858290493e+00 -3.669051559e+00 3.48 -1.257600145e+00 -2.687955218e+00 -3.451285657e+00 3.50 -1.186299279e+00 -2.522332741e+00 -3.236703808e+00 3.52 -1.118915804e+00 -2.362531776e+00 -3.027215173e+00 3.54 -1.055489034e+00 -2.209540962e+00 -2.824596702e+00 3.56 -9.960243174e-01 -2.064186998e+00 -2.630418802e+00 3.58 -9.404870827e-01 -1.927105139e+00 -2.445985549e+00 3.60 -8.888006654e-01 -1.798723956e+00 -2.272294842e+00 3.62 -8.408476782e-01 -1.679264389e+00 -2.110021037e+00 3.64 -7.964742502e-01 -1.568751497e+00 -1.959519592e+00 3.66 -7.554963100e-01 -1.467036095e+00 -1.820850698e+00 3.68 -7.177070411e-01 -1.373822953e+00 -1.693817047e+00 3.70 -6.828846413e-01 -1.288702165e+00 -1.578010200e+00 3.72 -6.507995053e-01 -1.211180740e+00 -1.472860187e+00 3.74 -6.212211341e-01 -1.140712144e+00 -1.377683868e+00 3.76 -5.939238048e-01 -1.076722250e+00 -1.291728826e+00 3.78 -5.686902944e-01 -1.018630899e+00 -1.214210832e+00 3.80 -5.453150143e-01 -9.658688457e-01 -1.144344070e+00 3.82 -5.236060239e-01 -9.178902741e-01 -1.081364152e+00 3.84 -5.033860931e-01 -8.741813767e-01 -1.024544535e+00 3.86 -4.844930009e-01 -8.342656007e-01 -9.732072648e-01 3.88 -4.667792497e-01 -7.977062202e-01 -9.267290898e-01 3.90 -4.501113582e-01 -7.641068617e-01 -8.845439832e-01 3.92 -4.343688659e-01 -7.331105418e-01 -8.461429880e-01 3.94 -4.194431804e-01 -7.043977205e-01 -8.110722207e-01 3.96 -4.052363106e-01 -6.776836880e-01 -7.789295896e-01 3.98 -3.916596137e-01 -6.527156960e-01 -7.493608491e-01 4.00 -3.786325594e-01 -6.292699804e-01 -7.220552761e-01 4.02 -3.660815686e-01 -6.071488782e-01 -6.967412748e-01 4.04 -3.539389491e-01 -5.861781608e-01 -6.731821004e-01 4.06 -3.421419518e-01 -5.662046987e-01 -6.511718004e-01 4.08 -3.306319653e-01 -5.470944664e-01 -6.305314521e-01 4.10 -3.193538679e-01 -5.287308122e-01 -6.111057364e-01 4.12 -3.082555547e-01 -5.110132816e-01 -5.927598747e-01 4.14 -2.972876629e-01 -4.938571627e-01 -5.753768821e-01 4.16 -2.864035160e-01 -4.771924237e-01 -5.588549661e-01 4.18 -2.755593123e-01 -4.609633250e-01 -5.431056457e-01 4.20 -2.647145782e-01 -4.451281393e-01 -5.280520995e-01 4.22 -2.538329007e-01 -4.296587835e-01 -5.136270988e-01 4.24 -2.428829418e-01 -4.145402045e-01 -4.997716381e-01 4.26 -2.318397134e-01 -3.997693777e-01 -4.864337316e-01 4.28 -2.206860633e-01 -3.853538035e-01 -4.735673555e-01 4.30 -2.094142820e-01 -3.713094613e-01 -4.611315217e-01 4.32 -1.980276944e-01 -3.576582654e-01 -4.490894678e-01 4.34 -1.865420553e-01 -3.444251650e-01 -4.374079497e-01 4.36 -1.749865274e-01 -3.316351154e-01 -4.260566223e-01 4.38 -1.634040475e-01 -3.193101902e-01 -4.150074976e-01 4.40 -1.518507737e-01 -3.074671050e-01 -4.042344697e-01 4.42 -1.403946030e-01 -2.961153677e-01 -3.937128978e-01 4.44 -1.291126131e-01 -2.852561792e-01 -3.834192411e-01 4.46 -1.180875748e-01 -2.748821029e-01 -3.733307395e-01 4.48 -1.074037730e-01 -2.649774213e-01 -3.634251376e-01 4.50 -9.714251213e-02 -2.555190294e-01 -3.536804497e-01 4.52 -8.737774874e-02 -2.464776811e-01 -3.440747517e-01 4.54 -7.817231861e-02 -2.378194051e-01 -3.345860914e-01 4.56 -6.957506315e-02 -2.295069361e-01 -3.251922915e-01 4.58 -6.161916675e-02 -2.215010501e-01 -3.158709667e-01 4.60 -5.432170019e-02 -2.137617375e-01 -3.065995194e-01 4.62 -4.768429988e-02 -2.062490896e-01 -2.973552255e-01 4.64 -4.169475532e-02 -1.989241531e-01 -2.881154026e-01 4.66 -3.632922339e-02 -1.917499810e-01 -2.788576762e-01 4.68 -3.155476657e-02 -1.846917345e-01 -2.695603524e-01 4.70 -2.733194422e-02 -1.777171822e-01 -2.602029116e-01 4.72 -2.361672987e-02 -1.707971800e-01 -2.507666263e-01 4.74 -2.036366676e-02 -1.639061393e-01 -2.412353054e-01 4.76 -1.752762942e-02 -1.570225107e-01 -2.315961537e-01 4.78 -1.506444332e-02 -1.501292906e-01 -2.218407239e-01 4.80 -1.293197978e-02 -1.432145368e-01 -2.119659201e-01 4.82 -1.109088360e-02 -1.362719015e-01 -2.019749945e-01 4.84 -9.504998310e-03 -1.293010500e-01 -1.918784591e-01 4.86 -8.141555183e-03 -1.223080281e-01 -1.816948174e-01 4.88 -6.971186628e-03 -1.153054196e-01 -1.714510115e-01 4.90 -5.967816071e-03 -1.083122636e-01 -1.611824820e-01 4.92 -5.108466658e-03 -1.013536691e-01 -1.509327535e-01 4.94 -4.373021949e-03 -9.446008867e-02 -1.407524891e-01 4.96 -3.743963344e-03 -8.766624564e-02 -1.306980084e-01 4.98 -3.206101875e-03 -8.100974941e-02 -1.208293202e-01 5.00 -2.746316515e-03 -7.452947220e-02 -1.112077827e-01 5.02 -2.353306822e-03 -6.826379805e-02 -1.018935582e-01 5.04 -2.017364396e-03 -6.224887717e-02 -9.294306533e-02 5.06 -1.730165349e-03 -5.651702518e-02 -8.440663702e-02 5.08 -1.484584412e-03 -5.109539260e-02 -7.632657579e-02 5.10 -1.274530171e-03 -4.600499933e-02 -6.873574869e-02 5.12 -1.094800244e-03 -4.126018613e-02 -6.165680117e-02 5.14 -9.409548614e-04 -3.686848863e-02 -5.510199918e-02 5.16 -8.092071349e-04 -3.283089756e-02 -4.907364589e-02 5.18 -6.963282223e-04 -2.914243440e-02 -4.356496735e-02 5.20 -5.995656622e-04 -2.579295621e-02 -3.856133873e-02 5.22 -5.165732714e-04 -2.276809719e-02 -3.404171248e-02 5.24 -4.453511094e-04 -2.005025763e-02 -2.998011533e-02 5.26 -3.841941543e-04 -1.761954167e-02 -2.634706657e-02 5.28 -3.316485017e-04 -1.545434360e-02 -2.311046662e-02 5.30 -2.864740287e-04 -1.353295414e-02 -2.023801384e-02 5.32 -2.476125973e-04 -1.183376285e-02 -1.769751727e-02 5.34 -2.141609899e-04 -1.033559794e-02 -1.545741083e-02 5.36 -1.853478907e-04 -9.018145132e-03 -1.348738667e-02 5.38 -1.605143116e-04 -7.862239799e-03 -1.175883752e-02 5.40 -1.390969491e-04 -6.850051895e-03 -1.024513771e-02 5.42 -1.206140340e-04 -5.965184181e-03 -8.921793516e-03 5.44 -1.046533035e-04 -5.192702919e-03 -7.766491728e-03 5.46 -9.086177175e-05 -4.519118197e-03 -6.759072343e-03 5.48 -7.893702943e-05 -3.932328451e-03 -5.881447186e-03 5.50 -6.861984251e-05 -3.421541126e-03 -5.117482457e-03 5.52 -5.968785361e-05 -2.977178879e-03 -4.452859378e-03 5.54 -5.195021890e-05 -2.590778564e-03 -3.874920943e-03 5.56 -4.524304020e-05 -2.254888307e-03 -3.372530274e-03 5.58 -3.942547295e-05 -1.962966476e-03 -2.935901645e-03 5.60 -3.437640775e-05 -1.709285105e-03 -2.556468918e-03 5.62 -2.999163948e-05 -1.488839398e-03 -2.226747122e-03 5.64 -2.618145156e-05 -1.297264219e-03 -1.940207701e-03 5.66 -2.286855309e-05 -1.130757949e-03 -1.691164741e-03 5.68 -1.998631605e-05 -9.860137497e-04 -1.474672228e-03 5.70 -1.747726830e-05 -8.601579818e-04 -1.286432003e-03 5.72 -1.529180461e-05 -7.506954011e-04 -1.122711824e-03 5.74 -1.338708326e-05 -6.554606430e-04 -9.802728275e-04 5.76 -1.172608094e-05 -5.725754631e-04 -8.563055900e-04 5.78 -1.027678295e-05 -5.004111896e-04 -7.483739786e-04 5.80 -9.011488734e-06 -4.375558536e-04 -6.543659931e-04 5.82 -7.906216002e-06 -3.827854866e-04 -5.724508391e-04 5.84 -6.940189089e-06 -3.350391102e-04 -5.010415214e-04 5.86 -6.095399489e-06 -2.933969805e-04 -4.387623041e-04 5.88 -5.356228021e-06 -2.570616908e-04 -3.844204449e-04 5.90 -4.709119835e-06 -2.253417763e-04 -3.369816716e-04 5.92 -4.142304712e-06 -1.976375019e-04 -2.955489238e-04 5.94 -3.645556198e-06 -1.734285533e-04 -2.593439400e-04 5.96 -3.209984006e-06 -1.522633799e-04 -2.276913173e-04 5.98 -2.827855036e-06 -1.337499744e-04 -2.000047186e-04 6.00 -2.492438961e-06 -1.175478960e-04 -1.757749406e-04