# 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 = Mg3Pt # 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 4.119215912e+02 nan nan 1.16 3.795005577e+02 nan nan 1.18 3.497096374e+02 nan nan 1.20 3.223053814e+02 nan nan 1.22 2.970710287e+02 nan nan 1.24 2.738156963e+02 nan nan 1.26 2.523687541e+02 nan nan 1.28 2.325756899e+02 3.580307952e+02 4.094555613e+02 1.30 2.142965410e+02 3.320839117e+02 3.805480549e+02 1.32 1.974041464e+02 3.080206180e+02 3.537222104e+02 1.34 1.817819770e+02 2.856981059e+02 3.288077793e+02 1.36 1.673233229e+02 2.649901926e+02 3.056482511e+02 1.38 1.539320086e+02 2.457787499e+02 2.841022161e+02 1.40 1.415228291e+02 2.279481680e+02 2.640459903e+02 1.42 1.300203407e+02 2.113854718e+02 2.453723624e+02 1.44 1.193567435e+02 1.959841818e+02 2.279847940e+02 1.46 1.094704080e+02 1.816486640e+02 2.117916227e+02 1.48 1.003142319e+02 1.682962374e+02 1.967043457e+02 1.50 9.190295228e+01 1.558559993e+02 1.826397292e+02 1.52 8.418793943e+01 1.442654133e+02 1.695227813e+02 1.54 7.710864645e+01 1.334667488e+02 1.572877963e+02 1.56 7.060909847e+01 1.234049078e+02 1.458765389e+02 1.58 6.463824070e+01 1.140267690e+02 1.352347985e+02 1.60 5.914991279e+01 1.052813536e+02 1.253096326e+02 1.62 5.410263909e+01 9.713822168e+01 1.160487695e+02 1.64 4.945940029e+01 8.960231226e+01 1.074018443e+02 1.66 4.518734638e+01 8.262767613e+01 9.933045783e+01 1.68 4.125732930e+01 7.617075261e+01 9.184286099e+01 1.70 3.764327014e+01 7.019354547e+01 8.490263296e+01 1.72 3.432143565e+01 6.466249646e+01 7.846920470e+01 1.74 3.126972862e+01 5.954698323e+01 7.250618562e+01 1.76 2.846710895e+01 5.481802180e+01 6.698006569e+01 1.78 2.589327089e+01 5.044764961e+01 6.185931175e+01 1.80 2.352864814e+01 4.640899734e+01 5.711385224e+01 1.82 2.135471695e+01 4.267664086e+01 5.271489347e+01 1.84 1.935445839e+01 3.922681496e+01 4.863504344e+01 1.86 1.751274566e+01 3.603738149e+01 4.484870707e+01 1.88 1.581644205e+01 3.308766191e+01 4.133258164e+01 1.90 1.425418316e+01 3.035832634e+01 3.806596767e+01 1.92 1.281599518e+01 2.783141865e+01 3.503069217e+01 1.94 1.149292467e+01 2.549048355e+01 3.221071266e+01 1.96 1.027677081e+01 2.332069183e+01 2.959160521e+01 1.98 9.159925986e+00 2.130887245e+01 2.716011644e+01 2.00 8.135286696e+00 1.944340406e+01 2.490385461e+01 2.02 7.196188625e+00 1.771397980e+01 2.281111704e+01 2.04 6.336348018e+00 1.611131833e+01 2.087082814e+01 2.06 5.549791737e+00 1.462689792e+01 1.907253508e+01 2.08 4.830793527e+00 1.325275794e+01 1.740641056e+01 2.10 4.173836634e+00 1.198137772e+01 1.586322105e+01 2.12 3.573208995e+00 1.080562077e+01 1.443426405e+01 2.14 3.022530410e+00 9.718726614e+00 1.311129770e+01 2.16 2.517617126e+00 8.714332199e+00 1.188649764e+01 2.18 2.054866384e+00 7.786495865e+00 1.075246599e+01 2.20 1.631106578e+00 6.929711343e+00 9.702286957e+00 2.22 1.243565029e+00 6.138899920e+00 8.729610383e+00 2.24 8.897850787e-01 5.409392592e+00 7.828700777e+00 2.26 5.675357701e-01 4.736907931e+00 6.994434087e+00 2.28 2.747402230e-01 4.117525639e+00 6.222233342e+00 2.30 9.432622980e-03 3.547594312e+00 5.507975239e+00 2.32 -2.302647683e-01 3.022588349e+00 4.847885783e+00 2.34 -4.461520414e-01 2.539374114e+00 4.238450907e+00 2.36 -6.399557159e-01 2.095529292e+00 3.676345722e+00 2.38 -8.133321371e-01 1.688708803e+00 3.157641118e+00 2.40 -9.678715697e-01 1.316618911e+00 2.678319348e+00 2.42 -1.105097994e+00 9.769990384e-01 2.235869052e+00 2.44 -1.226462024e+00 6.676160569e-01 1.827857019e+00 2.46 -1.333325228e+00 3.862648377e-01 1.451939241e+00 2.48 -1.426939553e+00 1.307754732e-01 1.105896232e+00 2.50 -1.508429613e+00 -1.009763413e-01 7.876596676e-01 2.52 -1.578785393e+00 -3.110532201e-01 4.953306034e-01 2.54 -1.638868175e+00 -5.014293974e-01 2.271787286e-01 2.56 -1.689430506e+00 -6.739519238e-01 -1.836713312e-02 2.58 -1.731138452e+00 -8.302967956e-01 -2.427352016e-01 2.60 -1.764601901e+00 -9.719339623e-01 -4.472284697e-01 2.62 -1.790399562e+00 -1.100113548e+00 -6.330412336e-01 2.64 -1.809102909e+00 -1.215880632e+00 -8.012781048e-01 2.66 -1.821291839e+00 -1.320104225e+00 -9.529679409e-01 2.68 -1.827564345e+00 -1.413520954e+00 -1.089086902e+00 2.70 -1.828536473e+00 -1.496773310e+00 -1.210580718e+00 2.72 -1.824834865e+00 -1.570440042e+00 -1.318389070e+00 2.74 -1.817084907e+00 -1.635056271e+00 -1.413468002e+00 2.76 -1.805898133e+00 -1.691124882e+00 -1.496805508e+00 2.78 -1.791860779e+00 -1.739121961e+00 -1.569424833e+00 2.80 -1.775524262e+00 -1.779501771e+00 -1.632372143e+00 2.82 -1.757444562e+00 -1.812698319e+00 -1.686687129e+00 2.84 -1.738220444e+00 -1.839133287e+00 -1.733363758e+00 2.86 -1.718344544e+00 -1.859224666e+00 -1.773309269e+00 2.88 -1.698180332e+00 -1.873398354e+00 -1.807312688e+00 2.90 -1.677968541e+00 -1.882100617e+00 -1.836030152e+00 2.92 -1.657847013e+00 -1.885808699e+00 -1.859988513e+00 2.94 -1.637876946e+00 -1.885036102e+00 -1.879603161e+00 2.96 -1.618066503e+00 -1.880329222e+00 -1.895202082e+00 2.98 -1.598398866e+00 -1.872253612e+00 -1.907056080e+00 3.00 -1.578891933e+00 -1.861370941e+00 -1.915393389e+00 3.02 -1.559487961e+00 -1.848210963e+00 -1.920420982e+00 3.04 -1.540117391e+00 -1.833244364e+00 -1.922333521e+00 3.06 -1.520730112e+00 -1.816896764e+00 -1.921319130e+00 3.08 -1.501294080e+00 -1.799599158e+00 -1.917561932e+00 3.10 -1.481792893e+00 -1.781677444e+00 -1.911242511e+00 3.12 -1.462222938e+00 -1.763344689e+00 -1.902537173e+00 3.14 -1.442590466e+00 -1.744731802e+00 -1.891616553e+00 3.16 -1.422904252e+00 -1.725911116e+00 -1.878643935e+00 3.18 -1.403126041e+00 -1.706921328e+00 -1.863774134e+00 3.20 -1.383195003e+00 -1.687783440e+00 -1.847184219e+00 3.22 -1.363067508e+00 -1.668511991e+00 -1.829085268e+00 3.24 -1.342714034e+00 -1.649128282e+00 -1.809668950e+00 3.26 -1.322116423e+00 -1.629662029e+00 -1.789107136e+00 3.28 -1.301266024e+00 -1.610146836e+00 -1.767556385e+00 3.30 -1.280162556e+00 -1.590600029e+00 -1.745162993e+00 3.32 -1.258813449e+00 -1.571019853e+00 -1.722067965e+00 3.34 -1.237233192e+00 -1.551412580e+00 -1.698422696e+00 3.36 -1.215443538e+00 -1.531789092e+00 -1.674404635e+00 3.38 -1.193471433e+00 -1.512162198e+00 -1.650127992e+00 3.40 -1.171348639e+00 -1.492544809e+00 -1.625708580e+00 3.42 -1.149109780e+00 -1.472946733e+00 -1.601266921e+00 3.44 -1.126791479e+00 -1.453359238e+00 -1.576922011e+00 3.46 -1.104429620e+00 -1.433768814e+00 -1.552784303e+00 3.48 -1.082059118e+00 -1.414146224e+00 -1.528949174e+00 3.50 -1.059712735e+00 -1.394448319e+00 -1.505491511e+00 3.52 -1.037421696e+00 -1.374642907e+00 -1.482465841e+00 3.54 -1.015214072e+00 -1.354707971e+00 -1.459893196e+00 3.56 -9.931159053e-01 -1.334629890e+00 -1.437733102e+00 3.58 -9.711509986e-01 -1.314401804e+00 -1.415925724e+00 3.60 -9.493410111e-01 -1.294022150e+00 -1.394412592e+00 3.62 -9.277055404e-01 -1.273493389e+00 -1.373139347e+00 3.64 -9.062621876e-01 -1.252820936e+00 -1.352057875e+00 3.66 -8.850265996e-01 -1.232012287e+00 -1.331127315e+00 3.68 -8.640124840e-01 -1.211076345e+00 -1.310314017e+00 3.70 -8.432315958e-01 -1.190022948e+00 -1.289590757e+00 3.72 -8.226936999e-01 -1.168862563e+00 -1.268935623e+00 3.74 -8.024065167e-01 -1.147606143e+00 -1.248330959e+00 3.76 -7.823756584e-01 -1.126265108e+00 -1.227762590e+00 3.78 -7.626045610e-01 -1.104851392e+00 -1.207219440e+00 3.80 -7.430944183e-01 -1.083377493e+00 -1.186693454e+00 3.82 -7.238441151e-01 -1.061856458e+00 -1.166179713e+00 3.84 -7.048501606e-01 -1.040301718e+00 -1.145676576e+00 3.86 -6.861066173e-01 -1.018726741e+00 -1.125185742e+00 3.88 -6.676050241e-01 -9.971444975e-01 -1.104712169e+00 3.90 -6.493343117e-01 -9.755667996e-01 -1.084263834e+00 3.92 -6.312804935e-01 -9.540034342e-01 -1.063851032e+00 3.94 -6.134275110e-01 -9.324624828e-01 -1.043487221e+00 3.96 -5.957557028e-01 -9.109487660e-01 -1.023186396e+00 3.98 -5.782428259e-01 -8.894649777e-01 -1.002964016e+00 4.00 -5.608638381e-01 -8.680120929e-01 -9.828360843e-01 4.02 -5.435910740e-01 -8.465904795e-01 -9.628186770e-01 4.04 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-2.580679030e-01 -3.491849051e-01 4.76 -6.703911038e-02 -2.462412287e-01 -3.332329347e-01 4.78 -6.371518631e-02 -2.344942365e-01 -3.173085643e-01 4.80 -6.062319052e-02 -2.228581533e-01 -3.014657530e-01 4.82 -5.773577608e-02 -2.113733667e-01 -2.857686356e-01 4.84 -5.502891667e-02 -2.000842391e-01 -2.702894601e-01 4.86 -5.248157870e-02 -1.890397045e-01 -2.551057859e-01 4.88 -5.007540823e-02 -1.782902504e-01 -2.402971234e-01 4.90 -4.779444096e-02 -1.678854031e-01 -2.259412848e-01 4.92 -4.562485873e-02 -1.578712472e-01 -2.121107621e-01 4.94 -4.355477648e-02 -1.482881961e-01 -1.988694576e-01 4.96 -4.157406436e-02 -1.391692004e-01 -1.862700464e-01 4.98 -3.967420172e-02 -1.305385250e-01 -1.743521720e-01 5.00 -3.784815699e-02 -1.224111544e-01 -1.631415633e-01 5.02 -3.609028591e-02 -1.147928114e-01 -1.526500579e-01 5.04 -3.439623946e-02 -1.076805120e-01 -1.428764191e-01 5.06 -3.276286792e-02 -1.010635359e-01 -1.338077685e-01 5.08 -3.118811338e-02 -9.492467197e-02 -1.254214282e-01 5.10 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-4.950857905e-02 5.46 -1.212711254e-02 -3.509566022e-02 -4.752883796e-02 5.48 -1.160408566e-02 -3.353609855e-02 -4.565729338e-02 5.50 -1.111020903e-02 -3.205751895e-02 -4.388432748e-02 5.52 -1.064293194e-02 -3.065505563e-02 -4.220140927e-02 5.54 -1.019995608e-02 -2.932459021e-02 -4.060064781e-02 5.56 -9.779233117e-03 -2.806245648e-02 -3.907596898e-02 5.58 -9.378953802e-03 -2.686515816e-02 -3.762098232e-02 5.60 -8.997530799e-03 -2.572929472e-02 -3.623029712e-02 5.62 -8.633576997e-03 -2.465151377e-02 -3.489907051e-02 5.64 -8.285880974e-03 -2.362848709e-02 -3.362293423e-02 5.66 -7.953381002e-03 -2.265690642e-02 -3.239793080e-02 5.68 -7.635138915e-03 -2.173349337e-02 -3.122045796e-02 5.70 -7.330314993e-03 -2.085501842e-02 -3.008722035e-02 5.72 -7.038144900e-03 -2.001832402e-02 -2.899518769e-02 5.74 -6.757919500e-03 -1.922034698e-02 -2.794155844e-02 5.76 -6.488968153e-03 -1.845807745e-02 -2.692363082e-02 5.78 -6.230645778e-03 -1.772874294e-02 -2.593874668e-02 5.80 -5.982323707e-03 -1.702969831e-02 -2.498467622e-02 5.82 -5.743384057e-03 -1.635842295e-02 -2.405932401e-02 5.84 -5.513217168e-03 -1.571255089e-02 -2.316069987e-02 5.86 -5.291221528e-03 -1.508986970e-02 -2.228690839e-02 5.88 -5.076805551e-03 -1.448831713e-02 -2.143614154e-02 5.90 -4.869390656e-03 -1.390597649e-02 -2.060667422e-02 5.92 -4.668415134e-03 -1.334107167e-02 -1.979686293e-02 5.94 -4.473338480e-03 -1.279196278e-02 -1.900514749e-02 5.96 -4.283645908e-03 -1.225714293e-02 -1.823006622e-02 5.98 -4.098852971e-03 -1.173523674e-02 -1.747032383e-02 6.00 -3.918510205e-03 -1.122500104e-02 -1.672465406e-02