# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-K-H-Lee-B-J--Mg-Pb # implementation = 2018--Jang-H-S--Mg-Pb--LAMMPS--ipr1 # composition = MgPb3 # 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 2022-05-24 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 3.695606210e+02 nan nan 1.06 3.499463960e+02 nan nan 1.08 3.313196064e+02 nan nan 1.10 3.136321266e+02 nan nan 1.12 2.968381260e+02 3.495296297e+02 nan 1.14 2.808939614e+02 3.324094799e+02 nan 1.16 2.657580742e+02 3.160797516e+02 3.636883681e+02 1.18 2.513908925e+02 3.005053074e+02 3.466137765e+02 1.20 2.377547375e+02 2.856525304e+02 3.302916197e+02 1.22 2.248137348e+02 2.714892599e+02 3.146901288e+02 1.24 2.125337290e+02 2.579847299e+02 2.997788338e+02 1.26 2.008822031e+02 2.451095095e+02 2.855285122e+02 1.28 1.898282011e+02 2.328354465e+02 2.719111389e+02 1.30 1.793422543e+02 2.211356128e+02 2.588998387e+02 1.32 1.693963111e+02 2.099842525e+02 2.464688400e+02 1.34 1.599636703e+02 1.993567318e+02 2.345934313e+02 1.36 1.510189167e+02 1.892294914e+02 2.232499181e+02 1.38 1.425378611e+02 1.795800003e+02 2.124155827e+02 1.40 1.344974814e+02 1.703867123e+02 2.020686445e+02 1.42 1.268758679e+02 1.616290238e+02 1.921882230e+02 1.44 1.196521705e+02 1.532872333e+02 1.827543012e+02 1.46 1.128065480e+02 1.453425029e+02 1.737476907e+02 1.48 1.063201206e+02 1.377768216e+02 1.651499991e+02 1.50 1.001749244e+02 1.305729693e+02 1.569435970e+02 1.52 9.435386736e+01 1.237144833e+02 1.491115880e+02 1.54 8.884068802e+01 1.171856256e+02 1.416377784e+02 1.56 8.361991608e+01 1.109713518e+02 1.345066494e+02 1.58 7.867683462e+01 1.050572811e+02 1.277033295e+02 1.60 7.399744412e+01 9.942966819e+01 1.212135682e+02 1.62 6.956842827e+01 9.407537519e+01 1.150237110e+02 1.64 6.537712136e+01 8.898184605e+01 1.091206750e+02 1.66 6.141147714e+01 8.413708108e+01 1.034919260e+02 1.68 5.766003920e+01 7.952961308e+01 9.812545580e+01 1.70 5.411191277e+01 7.514848424e+01 9.300976103e+01 1.72 5.075673776e+01 7.098322413e+01 8.813382250e+01 1.74 4.758466313e+01 6.702382854e+01 8.348708543e+01 1.76 4.458632250e+01 6.326073931e+01 7.905944048e+01 1.78 4.175281082e+01 5.968482496e+01 7.484120554e+01 1.80 3.907566223e+01 5.628736213e+01 7.082310824e+01 1.82 3.654682889e+01 5.306001788e+01 6.699626914e+01 1.84 3.415866092e+01 4.999483264e+01 6.335218564e+01 1.86 3.190388712e+01 4.708420401e+01 5.988271647e+01 1.88 2.977559679e+01 4.432087114e+01 5.658006683e+01 1.90 2.776722228e+01 4.169789981e+01 5.343677417e+01 1.92 2.587252241e+01 3.920866823e+01 5.044569443e+01 1.94 2.408556670e+01 3.684685329e+01 4.759998897e+01 1.96 2.240072031e+01 3.460641756e+01 4.489311190e+01 1.98 2.081262970e+01 3.248159672e+01 4.231879800e+01 2.00 1.931620901e+01 3.046688760e+01 3.987105107e+01 2.02 1.790662707e+01 2.855703672e+01 3.754413282e+01 2.04 1.657929495e+01 2.674702931e+01 3.533255216e+01 2.06 1.532985427e+01 2.503207880e+01 3.323105487e+01 2.08 1.415416591e+01 2.340761677e+01 3.123461385e+01 2.10 1.304829932e+01 2.186928334e+01 2.933841955e+01 2.12 1.200852236e+01 2.041291795e+01 2.753787099e+01 2.14 1.103129160e+01 1.903455059e+01 2.582856698e+01 2.16 1.011324310e+01 1.773039331e+01 2.420629783e+01 2.18 9.251183599e+00 1.649683222e+01 2.266703730e+01 2.20 8.442082148e+00 1.533041971e+01 2.120693490e+01 2.22 7.683062167e+00 1.422786713e+01 1.982230855e+01 2.24 6.971393842e+00 1.318603769e+01 1.850963748e+01 2.26 6.304486913e+00 1.220193970e+01 1.726555546e+01 2.28 5.679883793e+00 1.127272015e+01 1.608684428e+01 2.30 5.095253034e+00 1.039565846e+01 1.497042750e+01 2.32 4.548383093e+00 9.568160614e+00 1.391336448e+01 2.34 4.037176407e+00 8.787753495e+00 1.291284462e+01 2.36 3.559643752e+00 8.052079460e+00 1.196618186e+01 2.38 3.113898872e+00 7.358891173e+00 1.107080940e+01 2.40 2.698153368e+00 6.706046653e+00 1.022427464e+01 2.42 2.310711837e+00 6.091504541e+00 9.424234313e+00 2.44 1.949967242e+00 5.513319570e+00 8.668449824e+00 2.46 1.614396510e+00 4.969638239e+00 7.954782803e+00 2.48 1.302556342e+00 4.458694669e+00 7.281190814e+00 2.50 1.013079223e+00 3.978806648e+00 6.645723249e+00 2.52 7.446696334e-01 3.528371844e+00 6.046517403e+00 2.54 4.961004360e-01 3.105864183e+00 5.481794693e+00 2.56 2.662094453e-01 2.709830395e+00 4.949857051e+00 2.58 5.389616036e-02 2.338886701e+00 4.449083455e+00 2.60 -1.418813421e-01 1.991715654e+00 3.977926607e+00 2.62 -3.221093610e-01 1.667063111e+00 3.534909756e+00 2.64 -4.877213843e-01 1.363735352e+00 3.118623640e+00 2.66 -6.396007605e-01 1.080596306e+00 2.727723568e+00 2.68 -7.785832406e-01 8.165649225e-01 2.360926619e+00 2.70 -9.054593977e-01 5.706126409e-01 2.017008954e+00 2.72 -1.020976924e+00 3.417609821e-01 1.694803247e+00 2.74 -1.125842818e+00 1.290792429e-01 1.393196220e+00 2.76 -1.220725463e+00 -6.831770541e-02 1.111126283e+00 2.78 -1.306256604e+00 -2.512715222e-01 8.475812716e-01 2.80 -1.383033225e+00 -4.205824073e-01 6.015962796e-01 2.82 -1.451619334e+00 -5.770110231e-01 3.722515855e-01 2.84 -1.512547667e+00 -7.212803287e-01 1.586706634e-01 2.86 -1.566321293e+00 -8.540773349e-01 -3.998172071e-02 2.88 -1.613415154e+00 -9.760547778e-01 -2.245013327e-01 2.90 -1.654277522e+00 -1.087832720e+00 -3.956462162e-01 2.92 -1.689331382e+00 -1.190000078e+00 -5.541383654e-01 2.94 -1.718975750e+00 -1.283116083e+00 -7.006653262e-01 2.96 -1.743586923e+00 -1.367711675e+00 -8.358817297e-01 2.98 -1.763519669e+00 -1.444290832e+00 -9.604107601e-01 3.00 -1.779108354e+00 -1.513331846e+00 -1.074845560e+00 3.02 -1.790668018e+00 -1.575288531e+00 -1.179750578e+00 3.04 -1.798495390e+00 -1.630591390e+00 -1.275662853e+00 3.06 -1.802869856e+00 -1.679648713e+00 -1.363093249e+00 3.08 -1.804054382e+00 -1.722847641e+00 -1.442527638e+00 3.10 -1.802296385e+00 -1.760555172e+00 -1.514428025e+00 3.12 -1.797828559e+00 -1.793119121e+00 -1.579233631e+00 3.14 -1.790869665e+00 -1.820869047e+00 -1.637361927e+00 3.16 -1.781625279e+00 -1.844117120e+00 -1.689209625e+00 3.18 -1.770288500e+00 -1.863158966e+00 -1.735153621e+00 3.20 -1.757040621e+00 -1.878274463e+00 -1.775551908e+00 3.22 -1.742051775e+00 -1.889728505e+00 -1.810744436e+00 3.24 -1.725481533e+00 -1.897771725e+00 -1.841053944e+00 3.26 -1.707479487e+00 -1.902641195e+00 -1.866786754e+00 3.28 -1.688185791e+00 -1.904561084e+00 -1.888233527e+00 3.30 -1.667731683e+00 -1.903743290e+00 -1.905669993e+00 3.32 -1.646239976e+00 -1.900388046e+00 -1.919357638e+00 3.34 -1.623825521e+00 -1.894684487e+00 -1.929544374e+00 3.36 -1.600595653e+00 -1.886811209e+00 -1.936465171e+00 3.38 -1.576650611e+00 -1.876936779e+00 -1.940342660e+00 3.40 -1.552083933e+00 -1.865220243e+00 -1.941387720e+00 3.42 -1.526982834e+00 -1.851811599e+00 -1.939800025e+00 3.44 -1.501428565e+00 -1.836852243e+00 -1.935768579e+00 3.46 -1.475496752e+00 -1.820475413e+00 -1.929472217e+00 3.48 -1.449257713e+00 -1.802806587e+00 -1.921080096e+00 3.50 -1.422776770e+00 -1.783963887e+00 -1.910752151e+00 3.52 -1.396114529e+00 -1.764058445e+00 -1.898639539e+00 3.54 -1.369327162e+00 -1.743194761e+00 -1.884885063e+00 3.56 -1.342466657e+00 -1.721471045e+00 -1.869623571e+00 3.58 -1.315581072e+00 -1.698979536e+00 -1.852982345e+00 3.60 -1.288714757e+00 -1.675806814e+00 -1.835081467e+00 3.62 -1.261908586e+00 -1.652034089e+00 -1.816034170e+00 3.64 -1.235200154e+00 -1.627737485e+00 -1.795947175e+00 3.66 -1.208623981e+00 -1.602988301e+00 -1.774921010e+00 3.68 -1.182211695e+00 -1.577853270e+00 -1.753050314e+00 3.70 -1.155992209e+00 -1.552394792e+00 -1.730424135e+00 3.72 -1.129991890e+00 -1.526671173e+00 -1.707126201e+00 3.74 -1.104234713e+00 -1.500736835e+00 -1.683235191e+00 3.76 -1.078742413e+00 -1.474642530e+00 -1.658824987e+00 3.78 -1.053534625e+00 -1.448435532e+00 -1.633964916e+00 3.80 -1.028629019e+00 -1.422159831e+00 -1.608719982e+00 3.82 -1.004041422e+00 -1.395856309e+00 -1.583151084e+00 3.84 -9.797859424e-01 -1.369562908e+00 -1.557315229e+00 3.86 -9.558750775e-01 -1.343314797e+00 -1.531265730e+00 3.88 -9.323198228e-01 -1.317144520e+00 -1.505052399e+00 3.90 -9.091297713e-01 -1.291082149e+00 -1.478721729e+00 3.92 -8.863132078e-01 -1.265155416e+00 -1.452317065e+00 3.94 -8.638771988e-01 -1.239389850e+00 -1.425878774e+00 3.96 -8.418276763e-01 -1.213808902e+00 -1.399444397e+00 3.98 -8.201695173e-01 -1.188434062e+00 -1.373048805e+00 4.00 -7.989066189e-01 -1.163284973e+00 -1.346724341e+00 4.02 -7.780419686e-01 -1.138379540e+00 -1.320500951e+00 4.04 -7.575777108e-01 -1.113734033e+00 -1.294406321e+00 4.06 -7.375152097e-01 -1.089363179e+00 -1.268465998e+00 4.08 -7.178551080e-01 -1.065280260e+00 -1.242703506e+00 4.10 -6.985973823e-01 -1.041497196e+00 -1.217140461e+00 4.12 -6.797413956e-01 -1.018024631e+00 -1.191796675e+00 4.14 -6.612859463e-01 -9.948720080e-01 -1.166690261e+00 4.16 -6.432293143e-01 -9.720476471e-01 -1.141837724e+00 4.18 -6.255693040e-01 -9.495588141e-01 -1.117254062e+00 4.20 -6.083032858e-01 -9.274117878e-01 -1.092953155e+00 4.22 -5.914282335e-01 -9.056119235e-01 -1.068948685e+00 4.24 -5.749407608e-01 -8.841637132e-01 -1.045251355e+00 4.26 -5.588371543e-01 -8.630708423e-01 -1.021865788e+00 4.28 -5.431134057e-01 -8.423362434e-01 -9.988041692e-01 4.30 -5.277652407e-01 -8.219621476e-01 -9.760742301e-01 4.32 -5.127881469e-01 -8.019501325e-01 -9.536825947e-01 4.34 -4.981773995e-01 -7.823011677e-01 -9.316349635e-01 4.36 -4.839280857e-01 -7.630156584e-01 -9.099361710e-01 4.38 -4.700351269e-01 -7.440934855e-01 -8.885902412e-01 4.40 -4.564933002e-01 -7.255340449e-01 -8.676004391e-01 4.42 -4.432972572e-01 -7.073362833e-01 -8.469693212e-01 4.44 -4.304415435e-01 -6.894987327e-01 -8.266987815e-01 4.46 -4.179206144e-01 -6.720195429e-01 -8.067900964e-01 4.48 -4.057288518e-01 -6.548965122e-01 -7.872439672e-01 4.50 -3.938605783e-01 -6.381271161e-01 -7.680605593e-01 4.52 -3.823100709e-01 -6.217085344e-01 -7.492395406e-01 4.54 -3.710715739e-01 -6.056376770e-01 -7.307801172e-01 4.56 -3.601393101e-01 -5.899112081e-01 -7.126810673e-01 4.58 -3.495074923e-01 -5.745255685e-01 -6.949407728e-01 4.60 -3.391703324e-01 -5.594769974e-01 -6.775572504e-01 4.62 -3.291220516e-01 -5.447615523e-01 -6.605281797e-01 4.64 -3.193568877e-01 -5.303751278e-01 -6.438509303e-01 4.66 -3.098691037e-01 -5.163134733e-01 -6.275225876e-01 4.68 -3.006529947e-01 -5.025722099e-01 -6.115399768e-01 4.70 -2.917028939e-01 -4.891468455e-01 -5.958996856e-01 4.72 -2.830131792e-01 -4.760327898e-01 -5.805980858e-01 4.74 -2.745782780e-01 -4.632253679e-01 -5.656313533e-01 4.76 -2.663926721e-01 -4.507198328e-01 -5.509954876e-01 4.78 -2.584509024e-01 -4.385113780e-01 -5.366863293e-01 4.80 -2.507475724e-01 -4.265951476e-01 -5.226995771e-01 4.82 -2.432773580e-01 -4.149662480e-01 -5.090308039e-01 4.84 -2.360839946e-01 -4.036197563e-01 -4.956754715e-01 4.86 -2.303145570e-01 -3.925507306e-01 -4.826289446e-01 4.88 -2.358612719e-01 -3.817542171e-01 -4.698865041e-01 4.90 -2.543650020e-01 -3.712252592e-01 -4.574433592e-01 4.92 -2.491482217e-01 -3.609589035e-01 -4.452946593e-01 4.94 -2.440961856e-01 -3.509502074e-01 -4.334355044e-01 4.96 -2.392041425e-01 -3.411942448e-01 -4.218609555e-01 4.98 -2.344673915e-01 -3.316861121e-01 -4.105660438e-01 5.00 -2.298812834e-01 -3.224209330e-01 -3.995457799e-01 5.02 -2.254412224e-01 -3.133938639e-01 -3.887951614e-01 5.04 -2.211426670e-01 -3.046000979e-01 -3.783091814e-01 5.06 -2.169811320e-01 -2.960348691e-01 -3.680828345e-01 5.08 -2.129521889e-01 -2.876934559e-01 -3.581111246e-01 5.10 -2.090514674e-01 -2.795711849e-01 -3.483890701e-01 5.12 -2.052746563e-01 -2.716668673e-01 -3.389117101e-01 5.14 -2.016175048e-01 -2.642124265e-01 -3.296741092e-01 5.16 -1.980758230e-01 -2.581134206e-01 -3.206713627e-01 5.18 -1.946454836e-01 -2.531263915e-01 -3.118986011e-01 5.20 -1.913224223e-01 -2.465636429e-01 -3.033509938e-01 5.22 -1.881026395e-01 -2.398178962e-01 -2.950237531e-01 5.24 -1.849822006e-01 -2.332483612e-01 -2.869121374e-01 5.26 -1.819572382e-01 -2.268513158e-01 -2.790114547e-01 5.28 -1.790238376e-01 -2.206230908e-01 -2.713170652e-01 5.30 -1.757222209e-01 -2.145600709e-01 -2.638243835e-01 5.32 -1.676055370e-01 -2.086586959e-01 -2.565288817e-01 5.34 -1.412308224e-01 -2.029154606e-01 -2.494260906e-01 5.36 -9.550626683e-02 -1.973269162e-01 -2.425116021e-01 5.38 -9.090365904e-02 -1.918896700e-01 -2.357810705e-01 5.40 -8.835097444e-02 -1.866003863e-01 -2.292302143e-01 5.42 -8.586505198e-02 -1.814557863e-01 -2.228548170e-01 5.44 -8.344435849e-02 -1.764526485e-01 -2.166507282e-01 5.46 -8.108738629e-02 -1.715878084e-01 -2.106138649e-01 5.48 -7.879265331e-02 -1.668581588e-01 -2.047402118e-01 5.50 -7.655870304e-02 -1.622606495e-01 -1.990258219e-01 5.52 -7.438410464e-02 -1.577922871e-01 -1.934668173e-01 5.54 -7.226745283e-02 -1.534501351e-01 -1.880593893e-01 5.56 -7.020736788e-02 -1.492313130e-01 -1.827997986e-01 5.58 -6.820249553e-02 -1.451329966e-01 -1.776843753e-01 5.60 -6.625150687e-02 -1.411524168e-01 -1.727095192e-01 5.62 -6.435309820e-02 -1.372868601e-01 -1.678716995e-01 5.64 -6.250599094e-02 -1.335336673e-01 -1.631674545e-01 5.66 -6.070893140e-02 -1.298902332e-01 -1.585933918e-01 5.68 -5.896069063e-02 -1.263540062e-01 -1.541461873e-01 5.70 -5.726006421e-02 -1.229224875e-01 -1.498225854e-01 5.72 -5.560587201e-02 -1.195932303e-01 -1.456193982e-01 5.74 -5.399695801e-02 -1.163638395e-01 -1.415335048e-01 5.76 -5.243219000e-02 -1.132319707e-01 -1.375618514e-01 5.78 -5.091045937e-02 -1.101953296e-01 -1.337014498e-01 5.80 -4.943068080e-02 -1.072516711e-01 -1.299493774e-01 5.82 -4.799179204e-02 -1.043987986e-01 -1.263027762e-01 5.84 -4.659275356e-02 -1.016345635e-01 -1.227588518e-01 5.86 -4.523254831e-02 -9.895686384e-02 -1.193148732e-01 5.88 -4.391018139e-02 -9.636364376e-02 -1.159681715e-01 5.90 -4.262467975e-02 -9.385289276e-02 -1.127161393e-01 5.92 -4.127237398e-02 -9.129850244e-02 -1.094576722e-01 5.94 -3.857211466e-02 -8.711302239e-02 -1.049068947e-01 5.96 -3.135583687e-02 -7.641294274e-02 -9.432163385e-02 5.98 -1.627195370e-02 -4.774794700e-02 -6.228556911e-02 6.00 -1.966848874e-23 -1.092974697e-22 -7.757947265e-23