# 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 = Ni3Pt # 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 1.904267235e+02 nan nan 1.16 1.744852841e+02 nan nan 1.18 1.598535790e+02 nan nan 1.20 1.464052785e+02 nan nan 1.22 1.340273213e+02 nan nan 1.24 1.226216019e+02 nan nan 1.26 1.121024122e+02 nan nan 1.28 1.023926464e+02 1.640141138e+02 1.892047798e+02 1.30 9.342209909e+01 1.512361425e+02 1.750223607e+02 1.32 8.512754972e+01 1.393800132e+02 1.618648239e+02 1.34 7.745289072e+01 1.283855071e+02 1.496431482e+02 1.36 7.034844741e+01 1.181981847e+02 1.382788156e+02 1.38 6.376953366e+01 1.087617947e+02 1.277033989e+02 1.40 5.767513984e+01 1.000160317e+02 1.178578117e+02 1.42 5.202740259e+01 9.189942192e+01 1.086901532e+02 1.44 4.679158799e+01 8.435408635e+01 1.001522098e+02 1.46 4.193641008e+01 7.732977790e+01 9.219709705e+01 1.48 3.743437939e+01 7.078568692e+01 8.477987008e+01 1.50 3.326117797e+01 6.468931490e+01 7.785995480e+01 1.52 2.941274196e+01 5.901303617e+01 7.140288482e+01 1.54 2.592687601e+01 5.373028115e+01 6.537986475e+01 1.56 2.277313927e+01 4.881330705e+01 5.976538523e+01 1.58 1.991803352e+01 4.423305966e+01 5.453429881e+01 1.60 1.733156835e+01 3.996030094e+01 4.966003836e+01 1.62 1.498724290e+01 3.596709529e+01 4.511482180e+01 1.64 1.286210462e+01 3.222817787e+01 4.087135069e+01 1.66 1.093666253e+01 2.874136343e+01 3.690483161e+01 1.68 9.194380235e+00 2.554115221e+01 3.319431489e+01 1.70 7.620786065e+00 2.260993606e+01 2.973229806e+01 1.72 6.202544009e+00 1.993010663e+01 2.655689708e+01 1.74 4.926818209e+00 1.748589714e+01 2.365501842e+01 1.76 3.781010421e+00 1.526174538e+01 2.100478601e+01 1.78 2.752780371e+00 1.324145954e+01 1.858495154e+01 1.80 1.830257927e+00 1.140836027e+01 1.637506655e+01 1.82 1.002381898e+00 9.745975529e+00 1.435572420e+01 1.84 2.592677592e-01 8.238706192e+00 1.250880460e+01 1.86 -4.075489577e-01 6.872148584e+00 1.081779939e+01 1.88 -1.005120573e+00 5.633091214e+00 9.268169436e+00 1.90 -1.539336965e+00 4.509375768e+00 7.847537478e+00 1.92 -2.015281056e+00 3.489805160e+00 6.545567685e+00 1.94 -2.437546239e+00 2.564169113e+00 5.353579054e+00 1.96 -2.810449952e+00 1.723345338e+00 4.264059373e+00 1.98 -3.138144192e+00 9.593825822e-01 3.270221115e+00 2.00 -3.424641019e+00 2.654845483e-01 2.365668251e+00 2.02 -3.673773064e+00 -3.641268127e-01 1.544203213e+00 2.04 -3.889125835e+00 -9.344238473e-01 7.997789734e-01 2.06 -4.073991697e+00 -1.449790309e+00 1.265575185e-01 2.08 -4.231376526e+00 -1.914193266e+00 -4.810046736e-01 2.10 -4.364046452e+00 -2.331296677e+00 -1.028115876e+00 2.12 -4.474570367e+00 -2.704525888e+00 -1.519672873e+00 2.14 -4.565516394e+00 -3.037097787e+00 -1.960320163e+00 2.16 -4.640543419e+00 -3.332031177e+00 -2.354500046e+00 2.18 -4.701327529e+00 -3.592151803e+00 -2.706462442e+00 2.20 -4.748918113e+00 -3.820103405e+00 -3.020228988e+00 2.22 -4.784213492e+00 -4.018368210e+00 -3.299529418e+00 2.24 -4.808001838e+00 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-4.035036961e+00 -4.717512385e+00 -4.862733641e+00 2.62 -3.957774267e+00 -4.677651836e+00 -4.835689704e+00 2.64 -3.878315969e+00 -4.634727558e+00 -4.803995805e+00 2.66 -3.796794475e+00 -4.588692483e+00 -4.768311123e+00 2.68 -3.713417076e+00 -4.539392977e+00 -4.729147412e+00 2.70 -3.628467526e+00 -4.486769001e+00 -4.686885962e+00 2.72 -3.542295391e+00 -4.430857586e+00 -4.641796961e+00 2.74 -3.455296733e+00 -4.371784492e+00 -4.593850189e+00 2.76 -3.367891207e+00 -4.309744775e+00 -4.542914129e+00 2.78 -3.280499844e+00 -4.244974726e+00 -4.488979290e+00 2.80 -3.193525490e+00 -4.177721490e+00 -4.432159562e+00 2.82 -3.107389359e+00 -4.108218324e+00 -4.372672140e+00 2.84 -3.022567546e+00 -4.036671933e+00 -4.310803531e+00 2.86 -2.939437015e+00 -3.963264161e+00 -4.246869086e+00 2.88 -2.858251607e+00 -3.888165772e+00 -4.181175051e+00 2.90 -2.779151733e+00 -3.811556826e+00 -4.113990635e+00 2.92 -2.702184246e+00 -3.733646902e+00 -4.045533675e+00 2.94 -2.627328021e+00 -3.654688888e+00 -3.975969158e+00 2.96 -2.554519731e+00 -3.574981762e+00 -3.905416857e+00 2.98 -2.483675549e+00 -3.494860523e+00 -3.833963565e+00 3.00 -2.414706561e+00 -3.414674890e+00 -3.761676174e+00 3.02 -2.347527776e+00 -3.334761779e+00 -3.688613489e+00 3.04 -2.282061924e+00 -3.255418473e+00 -3.614835942e+00 3.06 -2.218239757e+00 -3.176895107e+00 -3.540413236e+00 3.08 -2.155998497e+00 -3.099469918e+00 -3.465430203e+00 3.10 -2.095279723e+00 -3.023365833e+00 -3.389990882e+00 3.12 -2.036027542e+00 -2.948704921e+00 -3.314220517e+00 3.14 -1.978187475e+00 -2.875536167e+00 -3.238264815e+00 3.16 -1.921706140e+00 -2.803862054e+00 -3.162285909e+00 3.18 -1.866531586e+00 -2.733660015e+00 -3.086455751e+00 3.20 -1.812613981e+00 -2.664897579e+00 -3.010982102e+00 3.22 -1.759906298e+00 -2.597541675e+00 -2.936106479e+00 3.24 -1.708364722e+00 -2.531563344e+00 -2.862040221e+00 3.26 -1.657948570e+00 -2.466939304e+00 -2.788956832e+00 3.28 -1.608619689e+00 -2.403651595e+00 -2.716992978e+00 3.30 -1.560341439e+00 -2.341686240e+00 -2.646253307e+00 3.32 -1.513077435e+00 -2.281031512e+00 -2.576817878e+00 3.34 -1.466790306e+00 -2.221676166e+00 -2.508750422e+00 3.36 -1.421440689e+00 -2.163607802e+00 -2.442105662e+00 3.38 -1.376986635e+00 -2.106811456e+00 -2.376934312e+00 3.40 -1.333383564e+00 -2.051268458e+00 -2.313284947e+00 3.42 -1.290584841e+00 -1.996955613e+00 -2.251202703e+00 3.44 -1.248543028e+00 -1.943844703e+00 -2.190725446e+00 3.46 -1.207211806e+00 -1.891902392e+00 -2.131878633e+00 3.48 -1.166548615e+00 -1.841090507e+00 -2.074670398e+00 3.50 -1.126517934e+00 -1.791366707e+00 -2.019088265e+00 3.52 -1.087095083e+00 -1.742685486e+00 -1.965098434e+00 3.54 -1.048270268e+00 -1.694999412e+00 -1.912647826e+00 3.56 -1.010052418e+00 -1.648260494e+00 -1.861668452e+00 3.58 -9.724721569e-01 -1.602421523e+00 -1.812083125e+00 3.60 -9.355831398e-01 -1.557437297e+00 -1.763811436e+00 3.62 -8.994609811e-01 -1.513265626e+00 -1.716775051e+00 3.64 -8.641992772e-01 -1.469868115e+00 -1.670901724e+00 3.66 -8.299026919e-01 -1.427210754e+00 -1.626127770e+00 3.68 -7.966777300e-01 -1.385264425e+00 -1.582399091e+00 3.70 -7.646224420e-01 -1.344005422e+00 -1.539671014e+00 3.72 -7.338166819e-01 -1.303416082e+00 -1.497907320e+00 3.74 -7.043144960e-01 -1.263485565e+00 -1.457078835e+00 3.76 -6.761397694e-01 -1.224210714e+00 -1.417161871e+00 3.78 -6.492855235e-01 -1.185596838e+00 -1.378136739e+00 3.80 -6.237165130e-01 -1.147658160e+00 -1.339986468e+00 3.82 -5.993742190e-01 -1.110417619e+00 -1.302695755e+00 3.84 -5.761830993e-01 -1.073905754e+00 -1.266250161e+00 3.86 -5.540570162e-01 -1.038158494e+00 -1.230635503e+00 3.88 -5.329050123e-01 -1.003213900e+00 -1.195837389e+00 3.90 -5.126359276e-01 -9.691081564e-01 -1.161840866e+00 3.92 -4.931616461e-01 -9.358713081e-01 -1.128630115e+00 3.94 -4.743989972e-01 -9.035234189e-01 -1.096188207e+00 3.96 -4.562704804e-01 -8.720717414e-01 -1.064496860e+00 3.98 -4.387040878e-01 -8.415093850e-01 -1.033536236e+00 4.00 -4.216325342e-01 -8.118156433e-01 -1.003284755e+00 4.02 -4.049922233e-01 -7.829578751e-01 -9.737189422e-01 4.04 -3.887222613e-01 -7.548945877e-01 -9.448133111e-01 4.06 -3.727637784e-01 -7.275792315e-01 -9.165402902e-01 4.08 -3.570597481e-01 -7.009641826e-01 -8.888702070e-01 4.10 -3.415554081e-01 -6.750044320e-01 -8.617713344e-01 4.12 -3.261992971e-01 -6.496606183e-01 -8.352100146e-01 4.14 -3.109448480e-01 -6.249010861e-01 -8.091508765e-01 4.16 -2.957524204e-01 -6.007028930e-01 -7.835571655e-01 4.18 -2.805916066e-01 -5.770516945e-01 -7.583912094e-01 4.20 -2.654436090e-01 -5.539406416e-01 -7.336150443e-01 4.22 -2.503034708e-01 -5.313685233e-01 -7.091912232e-01 4.24 -2.351818821e-01 -5.093374947e-01 -6.850838262e-01 4.26 -2.201062624e-01 -4.878507854e-01 -6.612596742e-01 4.28 -2.051214651e-01 -4.669107751e-01 -6.376897348e-01 4.30 -1.902879492e-01 -4.465177415e-01 -6.143506702e-01 4.32 -1.756785340e-01 -4.266694445e-01 -5.912264480e-01 4.34 -1.613767030e-01 -4.073615410e-01 -5.683098823e-01 4.36 -1.474719194e-01 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-1.339603287e-02 -1.408595843e-01 -2.091965164e-01 4.74 -1.140519705e-02 -1.314054496e-01 -1.953451362e-01 4.76 -9.700401344e-03 -1.222509607e-01 -1.818907751e-01 4.78 -8.243991053e-03 -1.133870951e-01 -1.688288320e-01 4.80 -7.002229789e-03 -1.048133217e-01 -1.561659706e-01 4.82 -5.945199551e-03 -9.653674895e-02 -1.439179355e-01 4.84 -5.046596712e-03 -8.857094109e-02 -1.321095847e-01 4.86 -4.283463379e-03 -8.093424972e-02 -1.207724554e-01 4.88 -3.635884686e-03 -7.364780837e-02 -1.099417462e-01 4.90 -3.086674597e-03 -6.673338000e-02 -9.965311394e-02 4.92 -2.621066103e-03 -6.021125793e-02 -8.993956698e-02 4.94 -2.226416484e-03 -5.409840832e-02 -8.082872914e-02 4.96 -1.891934048e-03 -4.840700488e-02 -7.234069231e-02 4.98 -1.608429707e-03 -4.314345166e-02 -6.448659883e-02 5.00 -1.368094554e-03 -3.830792630e-02 -5.726800028e-02 5.02 -1.164303153e-03 -3.389441623e-02 -5.067695058e-02 5.04 -9.914412310e-04 -2.989117215e-02 -4.469672021e-02 5.06 -8.447559156e-04 -2.628147351e-02 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-4.138904323e-06 -1.591044925e-04 -2.380048498e-04 5.80 -3.611975227e-06 -1.388038115e-04 -2.076351214e-04 5.82 -3.153875495e-06 -1.211600232e-04 -1.812403394e-04 5.84 -2.755385024e-06 -1.058170684e-04 -1.582877765e-04 5.86 -2.408549638e-06 -9.246763049e-05 -1.383176364e-04 5.88 -2.106503034e-06 -8.084634300e-05 -1.209328905e-04 5.90 -1.843314368e-06 -7.072395596e-05 -1.057905492e-04 5.92 -1.613857706e-06 -6.190232460e-05 -9.259416296e-05 5.94 -1.413700128e-06 -5.421010400e-05 -8.108738070e-05 5.96 -1.239005751e-06 -4.749904924e-05 -7.104841346e-05 5.98 -1.086453358e-06 -4.164083518e-05 -6.228527604e-05 6.00 -9.531656728e-07 -3.652432192e-05 -5.463169535e-05