# 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 = Au3Pb # 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 4.834524741e+02 nan nan 1.16 4.473477532e+02 nan nan 1.18 4.140716251e+02 nan nan 1.20 3.833734262e+02 nan nan 1.22 3.550299233e+02 nan nan 1.24 3.288418153e+02 nan nan 1.26 3.046294782e+02 nan nan 1.28 2.822299491e+02 4.235026761e+02 4.808000462e+02 1.30 2.614943824e+02 3.945247577e+02 4.485772317e+02 1.32 2.422858907e+02 3.676022330e+02 4.186166495e+02 1.34 2.244791000e+02 3.425728599e+02 3.907387017e+02 1.36 2.079608898e+02 3.192886929e+02 3.647798755e+02 1.38 1.926300700e+02 2.976141084e+02 3.405930421e+02 1.40 1.783951964e+02 2.774250068e+02 3.180465888e+02 1.42 1.651720646e+02 2.586084887e+02 2.970213859e+02 1.44 1.528824894e+02 2.410627041e+02 2.774073645e+02 1.46 1.414543746e+02 2.246962378e+02 2.591016342e+02 1.48 1.308218447e+02 2.094262789e+02 2.420081577e+02 1.50 1.209246723e+02 1.951760539e+02 2.260378480e+02 1.52 1.117072896e+02 1.818729426e+02 2.111084897e+02 1.54 1.031180733e+02 1.694480212e+02 1.971444431e+02 1.56 9.510925277e+01 1.578364730e+02 1.840762561e+02 1.58 8.763715707e+01 1.469780509e+02 1.718403221e+02 1.60 8.066232465e+01 1.368173200e+02 1.603784448e+02 1.62 7.415241652e+01 1.273037267e+02 1.496372384e+02 1.64 6.811078434e+01 1.183914861e+02 1.395676166e+02 1.66 6.252005054e+01 1.100392157e+02 1.301244796e+02 1.68 5.734903045e+01 1.022092961e+02 1.212663702e+02 1.70 5.256625650e+01 9.486707773e+01 1.129549113e+02 1.72 4.814223955e+01 8.798026395e+01 1.051541341e+02 1.74 4.404959475e+01 8.151864986e+01 9.783004227e+01 1.76 4.026317435e+01 7.545448103e+01 9.095050755e+01 1.78 3.676007265e+01 6.978391027e+01 8.448538534e+01 1.80 3.351947223e+01 6.450163198e+01 7.840664149e+01 1.82 3.052239253e+01 5.958490451e+01 7.269320067e+01 1.84 2.775138198e+01 5.500775035e+01 6.735060736e+01 1.86 2.519023147e+01 5.074591502e+01 6.236477700e+01 1.88 2.282374214e+01 4.677702492e+01 5.771353451e+01 1.90 2.063759906e+01 4.308067030e+01 5.337548153e+01 1.92 1.861835313e+01 3.963835563e+01 4.933062245e+01 1.94 1.675345560e+01 3.643330442e+01 4.555991737e+01 1.96 1.503129658e+01 3.345017245e+01 4.204509695e+01 1.98 1.344120409e+01 3.067472596e+01 3.876871362e+01 2.00 1.197340297e+01 2.809356331e+01 3.571430459e+01 2.02 1.061894818e+01 2.569393100e+01 3.286652916e+01 2.04 9.369648018e+00 2.346364410e+01 3.021120449e+01 2.06 8.217984605e+00 2.139109290e+01 2.773525014e+01 2.08 7.157042010e+00 1.946529872e+01 2.542657916e+01 2.10 6.180438513e+00 1.767597499e+01 2.327399997e+01 2.12 5.282264402e+00 1.601356493e+01 2.126714508e+01 2.14 4.457024782e+00 1.446924290e+01 1.939642883e+01 2.16 3.699588557e+00 1.303487787e+01 1.765301434e+01 2.18 3.005146176e+00 1.170297316e+01 1.602876981e+01 2.20 2.369176042e+00 1.046659546e+01 1.451620829e+01 2.22 1.787422206e+00 9.319312935e+00 1.310839797e+01 2.24 1.255880767e+00 8.255146334e+00 1.179886854e+01 2.26 7.707943678e-01 7.268533853e+00 1.058151561e+01 2.28 3.286524559e-01 6.354304941e+00 9.450529416e+00 2.30 -7.380652304e-02 5.507653670e+00 8.400354974e+00 2.32 -4.395942677e-01 4.724114664e+00 7.425688713e+00 2.34 -7.714768837e-01 3.999533776e+00 6.521494947e+00 2.36 -1.071986494e+00 3.330041224e+00 5.683028556e+00 2.38 -1.343437759e+00 2.712024530e+00 4.905852511e+00 2.40 -1.587950174e+00 2.142104601e+00 4.185842283e+00 2.42 -1.807471179e+00 1.617116052e+00 3.519179034e+00 2.44 -2.003798881e+00 1.134090950e+00 2.902330805e+00 2.46 -2.178602286e+00 6.902465196e-01 2.332026065e+00 2.48 -2.333437794e+00 2.829742620e-01 1.805223522e+00 2.50 -2.469761328e+00 -9.017042765e-02 1.319083410e+00 2.52 -2.588936442e+00 -4.314793127e-01 8.709425633e-01 2.54 -2.692351578e+00 -7.431035874e-01 4.582982403e-01 2.56 -2.781346400e+00 -1.027067331e+00 7.879871237e-02 2.58 -2.856755607e+00 -1.285281240e+00 -2.697607210e-01 2.60 -2.919408692e+00 -1.519554689e+00 -5.894397374e-01 2.62 -2.970156794e+00 -1.731603446e+00 -8.821557483e-01 2.64 -3.009875614e+00 -1.923052381e+00 -1.149689645e+00 2.66 -3.039463062e+00 -2.095430779e+00 -1.393692907e+00 2.68 -3.059828238e+00 -2.250166874e+00 -1.615697942e+00 2.70 -3.071855083e+00 -2.388582426e+00 -1.817128890e+00 2.72 -3.076379941e+00 -2.511891555e+00 -1.999312921e+00 2.74 -3.074190501e+00 -2.621204494e+00 -2.163491408e+00 2.76 -3.066008239e+00 -2.717590116e+00 -2.310830846e+00 2.78 -3.052478919e+00 -2.802147352e+00 -2.442433593e+00 2.80 -3.034173083e+00 -2.875555765e+00 -2.559348632e+00 2.82 -3.011591640e+00 -2.938409287e+00 -2.662581782e+00 2.84 -2.985176092e+00 -2.991290927e+00 -2.753157374e+00 2.86 -2.955318571e+00 -3.034769699e+00 -2.832204704e+00 2.88 -2.922371134e+00 -3.069398944e+00 -2.900449008e+00 2.90 -2.886653556e+00 -3.095716017e+00 -2.958584737e+00 2.92 -2.848458640e+00 -3.114243276e+00 -3.007315450e+00 2.94 -2.808060942e+00 -3.125480268e+00 -3.047334715e+00 2.96 -2.765751426e+00 -3.129904646e+00 -3.079307615e+00 2.98 -2.721749880e+00 -3.127993584e+00 -3.103860409e+00 3.00 -2.676235052e+00 -3.120229505e+00 -3.121568497e+00 3.02 -2.629384137e+00 -3.107102019e+00 -3.132949422e+00 3.04 -2.581370669e+00 -3.089106491e+00 -3.138462190e+00 3.06 -2.532362700e+00 -3.066741280e+00 -3.138529508e+00 3.08 -2.482521275e+00 -3.040496352e+00 -3.133544930e+00 3.10 -2.431997682e+00 -3.010844846e+00 -3.123877550e+00 3.12 -2.380923681e+00 -2.978231159e+00 -3.109875553e+00 3.14 -2.329419468e+00 -2.943064412e+00 -3.091868592e+00 3.16 -2.277599994e+00 -2.905709651e+00 -3.070169218e+00 3.18 -2.225574770e+00 -2.866488959e+00 -3.045073680e+00 3.20 -2.173448042e+00 -2.825682565e+00 -3.016862252e+00 3.22 -2.121319103e+00 -2.783546951e+00 -2.985800016e+00 3.24 -2.069282646e+00 -2.740312298e+00 -2.952136348e+00 3.26 -2.017429048e+00 -2.696123890e+00 -2.916105831e+00 3.28 -1.965844582e+00 -2.651108065e+00 -2.877928651e+00 3.30 -1.914611529e+00 -2.605378495e+00 -2.837819386e+00 3.32 -1.863808199e+00 -2.559038803e+00 -2.796000258e+00 3.34 -1.813508818e+00 -2.512185011e+00 -2.752626840e+00 3.36 -1.763783288e+00 -2.464907684e+00 -2.707845691e+00 3.38 -1.714696771e+00 -2.417293074e+00 -2.661803715e+00 3.40 -1.666309173e+00 -2.369417646e+00 -2.614649676e+00 3.42 -1.618673614e+00 -2.321352016e+00 -2.566535984e+00 3.44 -1.571840064e+00 -2.273167104e+00 -2.517620347e+00 3.46 -1.525848577e+00 -2.224934250e+00 -2.468066775e+00 3.48 -1.480733878e+00 -2.176724219e+00 -2.418043192e+00 3.50 -1.436524317e+00 -2.128606314e+00 -2.367713869e+00 3.52 -1.393242159e+00 -2.080647515e+00 -2.317248117e+00 3.54 -1.350903849e+00 -2.032911754e+00 -2.266811374e+00 3.56 -1.309520178e+00 -1.985459374e+00 -2.216563122e+00 3.58 -1.269096321e+00 -1.938346798e+00 -2.166649686e+00 3.60 -1.229631814e+00 -1.891626417e+00 -2.117198951e+00 3.62 -1.191120550e+00 -1.845346657e+00 -2.068316707e+00 3.64 -1.153550881e+00 -1.799552183e+00 -2.020085078e+00 3.66 -1.116905872e+00 -1.754284167e+00 -1.972563018e+00 3.68 -1.081163722e+00 -1.709580536e+00 -1.925788503e+00 3.70 -1.046298304e+00 -1.665476115e+00 -1.879781831e+00 3.72 -1.012279820e+00 -1.622002624e+00 -1.834549405e+00 3.74 -9.790755020e-01 -1.579188487e+00 -1.790087481e+00 3.76 -9.466503763e-01 -1.537058493e+00 -1.746385532e+00 3.78 -9.149680711e-01 -1.495633372e+00 -1.703429047e+00 3.80 -8.839916927e-01 -1.454929401e+00 -1.661201746e+00 3.82 -8.536847871e-01 -1.414958149e+00 -1.619687231e+00 3.84 -8.240124067e-01 -1.375726428e+00 -1.578870177e+00 3.86 -7.949422894e-01 -1.337236507e+00 -1.538737139e+00 3.88 -7.664461377e-01 -1.299486546e+00 -1.499277052e+00 3.90 -7.385009620e-01 -1.262471190e+00 -1.460481478e+00 3.92 -7.110900888e-01 -1.226181900e+00 -1.422344150e+00 3.94 -6.842057532e-01 -1.190609056e+00 -1.384862892e+00 3.96 -6.578478948e-01 -1.155740270e+00 -1.348036080e+00 3.98 -6.320262007e-01 -1.121562470e+00 -1.311864511e+00 4.00 -6.067596106e-01 -1.088061857e+00 -1.276350316e+00 4.02 -5.820754588e-01 -1.055224212e+00 -1.241496441e+00 4.04 -5.580077703e-01 -1.023035166e+00 -1.207306120e+00 4.06 -5.345947438e-01 -9.914804917e-01 -1.173782407e+00 4.08 -5.118755922e-01 -9.605464450e-01 -1.140927760e+00 4.10 -4.898870485e-01 -9.302191889e-01 -1.108743727e+00 4.12 -4.686599380e-01 -9.004895997e-01 -1.077230735e+00 4.14 -4.482162438e-01 -8.713472048e-01 -1.046387970e+00 4.16 -4.285670334e-01 -8.427855987e-01 -1.016213363e+00 4.18 -4.097114803e-01 -8.148019093e-01 -9.867036482e-01 4.20 -3.916370428e-01 -7.873974290e-01 -9.578544717e-01 4.22 -3.743207074e-01 -7.605780598e-01 -9.296605317e-01 4.24 -3.577310343e-01 -7.343544618e-01 -9.021157135e-01 4.26 -3.418307425e-01 -7.087418045e-01 -8.752131973e-01 4.28 -3.265794917e-01 -6.837590553e-01 -8.489455134e-01 4.30 -3.119365957e-01 -6.594277928e-01 -8.233045357e-01 4.32 -2.978634463e-01 -6.357706019e-01 -7.982814084e-01 4.34 -2.843254906e-01 -6.128091820e-01 -7.738664175e-01 4.36 -2.712931319e-01 -5.905623575e-01 -7.500488272e-01 4.38 -2.587447831e-01 -5.690442076e-01 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-2.865773173e-01 -3.875371121e-01 4.76 -1.030332656e-01 -2.746652758e-01 -3.716791529e-01 4.78 -9.829945132e-02 -2.629609139e-01 -3.560117687e-01 4.80 -9.376392579e-02 -2.514516386e-01 -3.405307285e-01 4.82 -8.940892631e-02 -2.401321732e-01 -3.252374745e-01 4.84 -8.521921975e-02 -2.289998902e-01 -3.101397364e-01 4.86 -8.118216734e-02 -2.180584039e-01 -2.952519584e-01 4.88 -7.728768395e-02 -2.073166524e-01 -2.805954579e-01 4.90 -7.352810369e-02 -1.967886639e-01 -2.661982400e-01 4.92 -6.989796111e-02 -1.864930669e-01 -2.520944083e-01 4.94 -6.639369748e-02 -1.764523261e-01 -2.383231432e-01 4.96 -6.301330424e-02 -1.666917127e-01 -2.249272586e-01 4.98 -5.975591993e-02 -1.572380505e-01 -2.119513977e-01 5.00 -5.662140212e-02 -1.481183104e-01 -1.994399780e-01 5.02 -5.360990009e-02 -1.393581550e-01 -1.874350325e-01 5.04 -5.072145584e-02 -1.309805415e-01 -1.759741228e-01 5.06 -4.795566006e-02 -1.230045024e-01 -1.650884953e-01 5.08 -4.531138510e-02 -1.154442019e-01 -1.548016320e-01 5.10 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-5.718933199e-02 5.46 -1.243968036e-02 -3.891465723e-02 -5.482248385e-02 5.48 -1.136072112e-02 -3.716377590e-02 -5.260295774e-02 5.50 -1.034071002e-02 -3.552619862e-02 -5.051450905e-02 5.52 -9.380638322e-03 -3.399089492e-02 -4.854265752e-02 5.54 -8.481203315e-03 -3.254773515e-02 -4.667411024e-02 5.56 -7.642689554e-03 -3.118743798e-02 -4.489827938e-02 5.58 -6.864886199e-03 -2.990151866e-02 -4.320450635e-02 5.60 -6.147043014e-03 -2.868223833e-02 -4.158373276e-02 5.62 -5.487863972e-03 -2.752255443e-02 -4.002789622e-02 5.64 -4.885534327e-03 -2.641607253e-02 -3.852981392e-02 5.66 -4.337774842e-03 -2.535700021e-02 -3.708308072e-02 5.68 -3.841915584e-03 -2.434010372e-02 -3.568198194e-02 5.70 -3.394981389e-03 -2.336066774e-02 -3.432141999e-02 5.72 -2.993781640e-03 -2.241445914e-02 -3.299685399e-02 5.74 -2.634998131e-03 -2.149769503e-02 -3.170425197e-02 5.76 -2.315266212e-03 -2.060701549e-02 -3.044005436e-02 5.78 -2.031245962e-03 -1.973946124e-02 -2.920114793e-02 5.80 -1.779681561e-03 -1.889245596e-02 -2.798484902e-02 5.82 -1.557448264e-03 -1.806379325e-02 -2.678889469e-02 5.84 -1.361587313e-03 -1.725162736e-02 -2.561144028e-02 5.86 -1.189329784e-03 -1.645446708e-02 -2.445106176e-02 5.88 -1.038110768e-03 -1.567117164e-02 -2.330676075e-02 5.90 -9.055754538e-04 -1.490094731e-02 -2.217797006e-02 5.92 -7.895787283e-04 -1.414334309e-02 -2.106455728e-02 5.94 -6.881797928e-04 -1.339823172e-02 -1.996680867e-02 5.96 -5.996331430e-04 -1.266573952e-02 -1.888532469e-02 5.98 -5.223770737e-04 -1.194638918e-02 -1.782124261e-02 6.00 -4.550206621e-04 -1.124100720e-02 -1.677611329e-02