# 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 = Fe3Ta # 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 2.780946842e+02 nan nan 1.16 2.520762565e+02 nan nan 1.18 2.284232641e+02 nan nan 1.20 2.069061769e+02 nan nan 1.22 1.873260389e+02 nan nan 1.24 1.695090018e+02 nan nan 1.26 1.533004197e+02 nan nan 1.28 1.385601769e+02 2.336977429e+02 2.744323099e+02 1.30 1.251597931e+02 2.134008137e+02 2.512600942e+02 1.32 1.129808754e+02 1.947950536e+02 2.300003292e+02 1.34 1.019141426e+02 1.777244710e+02 2.104913582e+02 1.36 9.185849507e+01 1.620543183e+02 1.925882200e+02 1.38 8.272003409e+01 1.476683844e+02 1.761591276e+02 1.40 7.441128172e+01 1.344650109e+02 1.610825081e+02 1.42 6.685100069e+01 1.223532460e+02 1.472446182e+02 1.44 5.996480865e+01 1.112498135e+02 1.345380169e+02 1.46 5.368625650e+01 1.010769748e+02 1.228614227e+02 1.48 4.795763429e+01 9.176117647e+01 1.121210061e+02 1.50 4.272989330e+01 8.323242391e+01 1.022322642e+02 1.52 3.796158756e+01 7.542433744e+01 9.312122182e+01 1.54 3.361717691e+01 6.827470513e+01 8.472421526e+01 1.56 2.966682611e+01 6.172616411e+01 7.698643761e+01 1.58 2.608673467e+01 5.572661182e+01 6.985995253e+01 1.60 2.284873929e+01 5.022912842e+01 6.330180798e+01 1.62 1.992449160e+01 4.519146159e+01 5.727253138e+01 1.64 1.728630724e+01 4.057530887e+01 5.173502447e+01 1.66 1.490718437e+01 3.634564260e+01 4.665380167e+01 1.68 1.276115219e+01 3.247021772e+01 4.199454913e+01 1.70 1.082388324e+01 2.892130630e+01 3.772401546e+01 1.72 9.073207617e+00 2.567678802e+01 3.381022553e+01 1.74 7.489385957e+00 2.271116058e+01 3.022292695e+01 1.76 6.055138016e+00 2.000079077e+01 2.693647691e+01 1.78 4.755516786e+00 1.752455875e+01 2.392954559e+01 1.80 3.577709360e+00 1.526384947e+01 2.117892442e+01 1.82 2.510787715e+00 1.320204230e+01 1.866348274e+01 1.84 1.545406978e+00 1.132412105e+01 1.636426671e+01 1.86 6.734712700e-01 9.616280945e+00 1.426374133e+01 1.88 -1.121854623e-01 8.065592961e+00 1.234541232e+01 1.90 -8.180586249e-01 6.659749978e+00 1.059367460e+01 1.92 -1.450152546e+00 5.386895302e+00 8.993867279e+00 1.94 -2.014086497e+00 4.235527610e+00 7.532467685e+00 1.96 -2.515147675e+00 3.194481080e+00 6.197308824e+00 1.98 -2.958315690e+00 2.252985727e+00 4.977706090e+00 2.00 -3.348280093e+00 1.400810091e+00 3.864430205e+00 2.02 -3.689464565e+00 6.284685374e-01 2.849533068e+00 2.04 -3.986061368e+00 -7.255553196e-02 1.926083186e+00 2.06 -4.242070825e+00 -7.096399640e-01 1.087879813e+00 2.08 -4.461331481e+00 -1.288966997e+00 3.291979337e-01 2.10 -4.647380394e+00 -1.815598439e+00 -3.554106135e-01 2.12 -4.803925182e+00 -2.293655115e+00 -9.712556199e-01 2.14 -4.934639316e+00 -2.726545034e+00 -1.523591759e+00 2.16 -5.042933941e+00 -3.117185432e+00 -2.017652026e+00 2.18 -5.131916383e+00 -3.468183858e+00 -2.458634012e+00 2.20 -5.204190048e+00 -3.781967282e+00 -2.851641941e+00 2.22 -5.261348618e+00 -4.060865131e+00 -3.201593471e+00 2.24 -5.304699318e+00 -4.307159067e+00 -3.513109674e+00 2.26 -5.335487283e+00 -4.523111683e+00 -3.790413335e+00 2.28 -5.354868670e+00 -4.710971860e+00 -4.037258996e+00 2.30 -5.363887376e+00 -4.872828606e+00 -4.256907504e+00 2.32 -5.363461475e+00 -5.011121494e+00 -4.452143438e+00 2.34 -5.354383229e+00 -5.128362974e+00 -4.625322966e+00 2.36 -5.337331197e+00 -5.226935552e+00 -4.778398605e+00 2.38 -5.312888705e+00 -5.309034101e+00 -4.912974323e+00 2.40 -5.281562121e+00 -5.376396052e+00 -5.030629622e+00 2.42 -5.243794459e+00 -5.429933616e+00 -5.132754287e+00 2.44 -5.199973324e+00 -5.470482173e+00 -5.220574495e+00 2.46 -5.150435213e+00 -5.498910130e+00 -5.295192395e+00 2.48 -5.095477219e+00 -5.516075286e+00 -5.357617250e+00 2.50 -5.035354104e+00 -5.522801592e+00 -5.408742067e+00 2.52 -4.970273519e+00 -5.519872316e+00 -5.449101008e+00 2.54 -4.900446029e+00 -5.508032577e+00 -5.479121201e+00 2.56 -4.826108244e+00 -5.487994311e+00 -5.499270960e+00 2.58 -4.747545600e+00 -5.460439053e+00 -5.510053620e+00 2.60 -4.665111092e+00 -5.426016797e+00 -5.512003106e+00 2.62 -4.579071959e+00 -5.385341530e+00 -5.505681436e+00 2.64 -4.489200366e+00 -5.338985397e+00 -5.491676835e+00 2.66 -4.395354073e+00 -5.287473731e+00 -5.470600310e+00 2.68 -4.297617659e+00 -5.231283557e+00 -5.443078392e+00 2.70 -4.196260657e+00 -5.170847391e+00 -5.409740224e+00 2.72 -4.091687873e+00 -5.106553299e+00 -5.371198665e+00 2.74 -3.984386670e+00 -5.038753800e+00 -5.328027011e+00 2.76 -3.874877568e+00 -4.967771188e+00 -5.280735657e+00 2.78 -3.763674506e+00 -4.893923566e+00 -5.229760761e+00 2.80 -3.651259221e+00 -4.817533468e+00 -5.175424529e+00 2.82 -3.538071095e+00 -4.738932518e+00 -5.117950132e+00 2.84 -3.424510441e+00 -4.658438359e+00 -5.057478408e+00 2.86 -3.310950513e+00 -4.576239932e+00 -4.994086191e+00 2.88 -3.197752166e+00 -4.492339584e+00 -4.927809993e+00 2.90 -3.085275272e+00 -4.406565767e+00 -4.858670583e+00 2.92 -2.973882468e+00 -4.318810544e+00 -4.786694535e+00 2.94 -2.863933166e+00 -4.229022888e+00 -4.711856150e+00 2.96 -2.755768451e+00 -4.137183295e+00 -4.633864879e+00 2.98 -2.649689827e+00 -4.043283545e+00 -4.552444043e+00 3.00 -2.545936314e+00 -3.947312571e+00 -4.467411238e+00 3.02 -2.444664673e+00 -3.849248657e+00 -4.378662363e+00 3.04 -2.345936680e+00 -3.749057593e+00 -4.286156841e+00 3.06 -2.249715687e+00 -3.646696184e+00 -4.189906006e+00 3.08 -2.155872726e+00 -3.542120385e+00 -4.089966014e+00 3.10 -2.064200793e+00 -3.435297397e+00 -3.986435954e+00 3.12 -1.974434941e+00 -3.326220991e+00 -3.879461103e+00 3.14 -1.886275510e+00 -3.214929209e+00 -3.769240519e+00 3.16 -1.799412110e+00 -3.101523261e+00 -3.656037463e+00 3.18 -1.713546552e+00 -2.986186025e+00 -3.540190516e+00 3.20 -1.628413553e+00 -2.869198067e+00 -3.422122800e+00 3.22 -1.543798569e+00 -2.750948716e+00 -3.302346552e+00 3.24 -1.459552471e+00 -2.631939664e+00 -3.181460495e+00 3.26 -1.375602924e+00 -2.512778851e+00 -3.060138203e+00 3.28 -1.291962351e+00 -2.394163357e+00 -2.939106867e+00 3.30 -1.208732279e+00 -2.276851363e+00 -2.819117406e+00 3.32 -1.126103774e+00 -2.161625012e+00 -2.700908521e+00 3.34 -1.044353519e+00 -2.049247653e+00 -2.585168509e+00 3.36 -9.638350668e-01 -1.940420159e+00 -2.472499324e+00 3.38 -8.849649586e-01 -1.835741403e+00 -2.363387062e+00 3.40 -8.082040446e-01 -1.735677385e+00 -2.258182046e+00 3.42 -7.340351753e-01 -1.640542123e+00 -2.157090080e+00 3.44 -6.629365853e-01 -1.550491503e+00 -2.060174779e+00 3.46 -5.953552474e-01 -1.465529402e+00 -1.967369417e+00 3.48 -5.316818141e-01 -1.385523890e+00 -1.878495854e+00 3.50 -4.722295701e-01 -1.310230453e+00 -1.793287766e+00 3.52 -4.172194533e-01 -1.239318956e+00 -1.711415578e+00 3.54 -3.667723869e-01 -1.172401458e+00 -1.632511047e+00 3.56 -3.209091494e-01 -1.109058625e+00 -1.556190056e+00 3.58 -2.795570484e-01 -1.048863307e+00 -1.482072860e+00 3.60 -2.425619181e-01 -9.914005412e-01 -1.409801483e+00 3.62 -2.097035624e-01 -9.362837965e-01 -1.339054302e+00 3.64 -1.807127195e-01 -8.831676269e-01 -1.269558013e+00 3.66 -1.552878630e-01 -8.317570823e-01 -1.201097145e+00 3.68 -1.331105595e-01 -7.818141896e-01 -1.133521214e+00 3.70 -1.138585702e-01 -7.331617373e-01 -1.066749455e+00 3.72 -9.721631560e-02 -6.856845500e-01 -1.000772930e+00 3.74 -8.288266949e-02 -6.393280345e-01 -9.356536737e-01 3.76 -7.057628897e-02 -5.940950647e-01 -8.715206047e-01 3.78 -6.003882925e-02 -5.500397150e-01 -8.085619082e-01 3.80 -5.103644724e-02 -5.072585133e-01 -7.470143431e-01 3.82 -4.336000197e-02 -4.658801221e-01 -6.871498679e-01 3.84 -3.682430214e-02 -4.260535751e-01 -6.292590743e-01 3.86 -3.126673705e-02 -3.879356849e-01 -5.736341078e-01 3.88 -2.654553186e-02 -3.516786563e-01 -5.205517275e-01 3.90 -2.253717790e-02 -3.174199464e-01 -4.702578353e-01 3.92 -1.913496365e-02 -2.852720213e-01 -4.229546895e-01 3.94 -1.624904409e-02 -2.553155867e-01 -3.787916978e-01 3.96 -1.380204446e-02 -2.275956752e-01 -3.378602642e-01 3.98 -1.172760212e-02 -2.021204831e-01 -3.001926997e-01 4.00 -9.969036613e-03 -1.788626976e-01 -2.657647991e-01 4.02 -8.478087203e-03 -1.577628438e-01 -2.345013717e-01 4.04 -7.213756720e-03 -1.387340634e-01 -2.062838492e-01 4.06 -6.141277443e-03 -1.216677123e-01 -1.809590562e-01 4.08 -5.231200680e-03 -1.064392165e-01 -1.583483116e-01 4.10 -4.458604523e-03 -9.291372838e-02 -1.382561792e-01 4.12 -3.802410177e-03 -8.095125173e-02 -1.204783791e-01 4.14 -3.244795556e-03 -7.041103027e-02 -1.048085577e-01 4.16 -2.770694586e-03 -6.115510756e-02 -9.104378277e-02 4.18 -2.367371254e-03 -5.305105252e-02 -7.898876145e-02 4.20 -2.024058172e-03 -4.597390778e-02 -6.845887075e-02 4.22 -1.731650453e-03 -3.980745562e-02 -5.928214587e-02 4.24 -1.482446852e-03 -3.444491387e-02 -5.130039853e-02 4.26 -1.269931120e-03 -2.978917914e-02 -4.436964361e-02 4.28 -1.088587450e-03 -2.575271737e-02 -3.835998678e-02 4.30 -9.337447819e-04 -2.225720938e-02 -3.315513502e-02 4.32 -8.014455028e-04 -1.923303114e-02 -2.865165304e-02 4.34 -6.883347515e-04 -1.661859963e-02 -2.475801927e-02 4.36 -5.915670137e-04 -1.435900638e-02 -2.139259623e-02 4.38 -5.087276309e-04 -1.240704299e-02 -1.848513790e-02 4.40 -4.377660798e-04 -1.072171711e-02 -1.597467944e-02 4.42 -3.769402090e-04 -9.267103858e-03 -1.380777427e-02 4.44 -3.247689184e-04 -8.011859704e-03 -1.193777912e-02 4.46 -2.799922664e-04 -6.928732243e-03 -1.032413015e-02 4.48 -2.415377807e-04 -5.994089255e-03 -8.931645977e-03 4.50 -2.084919895e-04 -5.187479967e-03 -7.729877129e-03 4.52 -1.800763140e-04 -4.491234795e-03 -6.692511934e-03 4.54 -1.556268942e-04 -3.890105574e-03 -5.796842600e-03 4.56 -1.345770885e-04 -3.370945685e-03 -5.023289029e-03 4.58 -1.164430809e-04 -2.922427959e-03 -4.354979902e-03 4.60 -1.008114765e-04 -2.534797449e-03 -3.777384791e-03 4.62 -8.732882826e-05 -2.199655776e-03 -3.277993303e-03 4.64 -7.569275232e-05 -1.909773732e-03 -2.846036185e-03 4.66 -6.564438848e-05 -1.658928901e-03 -2.472243630e-03 4.68 -5.696199715e-05 -1.441765280e-03 -2.148636295e-03 4.70 -4.945551807e-05 -1.253672142e-03 -1.868344936e-03 4.72 -4.296194334e-05 -1.090679643e-03 -1.625454965e-03 4.74 -3.734138112e-05 -9.493689597e-04 -1.414872627e-03 4.76 -3.247370437e-05 -8.267949955e-04 -1.232209884e-03 4.78 -2.825569568e-05 -7.204199397e-04 -1.073685457e-03 4.80 -2.459861359e-05 -6.280561196e-04 -9.360398028e-04 4.82 -2.142611694e-05 -5.478172195e-04 -8.164620627e-04 4.84 -1.867249319e-05 -4.780757712e-04 -7.125273364e-04 4.86 -1.628114534e-05 -4.174272636e-04 -6.221428042e-04 4.88 -1.420329903e-05 -3.646590133e-04 -5.435014601e-04 4.90 -1.239689715e-05 -3.187234905e-04 -4.750423730e-04 4.92 -1.082565382e-05 -2.787154065e-04 -4.154165503e-04 4.94 -9.458244707e-06 -2.438520272e-04 -3.634576087e-04 4.96 -8.267613414e-06 -2.134562549e-04 -3.181565677e-04 4.98 -7.230376907e-06 -1.869420856e-04 -2.786401812e-04 5.00 -6.326315601e-06 -1.638021017e-04 -2.441523040e-04 5.02 -5.537935816e-06 -1.435967145e-04 -2.140378614e-04 5.04 -4.850094071e-06 -1.259449054e-04 -1.877290551e-04 5.06 -4.249674271e-06 -1.105162556e-04 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-1.137008126e-05 -1.695178147e-05 5.44 -3.750316338e-07 -1.006173519e-05 -1.500135451e-05 5.46 -3.314109914e-07 -8.907561130e-06 -1.328073965e-05 5.48 -2.929771429e-07 -7.888961222e-06 -1.176221676e-05 5.50 -2.590997185e-07 -6.989633379e-06 -1.042148730e-05 5.52 -2.292266336e-07 -6.195281398e-06 -9.237242333e-06 5.54 -2.028741568e-07 -5.493362514e-06 -8.190754953e-06 5.56 -1.796182639e-07 -4.872867426e-06 -7.265681549e-06 5.58 -1.590871104e-07 -4.324128535e-06 -6.447576270e-06 5.60 -1.409544727e-07 -3.838652702e-06 -5.723779368e-06 5.62 -1.249340299e-07 -3.408975322e-06 -5.083164088e-06 5.64 -1.107743795e-07 -3.028532924e-06 -4.515946808e-06 5.66 -9.825468728e-08 -2.691551918e-06 -4.013521218e-06 5.68 -8.718089174e-08 -2.392951370e-06 -3.568313428e-06 5.70 -7.738238862e-08 -2.128258023e-06 -3.173655302e-06 5.72 -6.870913557e-08 -1.893531969e-06 -2.823673687e-06 5.74 -6.102912133e-08 -1.685301617e-06 -2.513193483e-06 5.76 -5.422615282e-08 -1.500506770e-06 -2.237652802e-06 5.78 -4.819791969e-08 -1.336448767e-06 -1.993028658e-06 5.80 -4.285430071e-08 -1.190746811e-06 -1.775771875e-06 5.82 -3.811588080e-08 -1.061299684e-06 -1.582750021e-06 5.84 -3.391265248e-08 -9.462521750e-07 -1.411197376e-06 5.86 -3.018287805e-08 -8.439656339e-07 -1.258671030e-06 5.88 -2.687209220e-08 -7.529921223e-07 -1.123012366e-06 5.90 -2.393222740e-08 -6.720517211e-07 -1.002313228e-06 5.92 -2.132084670e-08 -6.000125971e-07 -8.948862130e-07 5.94 -1.900047044e-08 -5.358734864e-07 -7.992385589e-07 5.96 -1.693798506e-08 -4.787482953e-07 -7.140491927e-07 5.98 -1.510412394e-08 -4.278525581e-07 -6.381485430e-07 6.00 -1.347301118e-08 -3.824915214e-07 -5.705007787e-07