# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd2Pt # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 9.184536702e+02 9.184536702e+02 0.98 8.376613189e+02 8.376613189e+02 1.00 7.647625484e+02 7.647625484e+02 1.02 6.989158725e+02 6.989158725e+02 1.04 6.393784701e+02 6.393784701e+02 1.06 5.854882747e+02 5.854882747e+02 1.08 5.366544892e+02 5.366544892e+02 1.10 4.923572377e+02 4.923572377e+02 1.12 4.521275672e+02 4.521275672e+02 1.14 4.155489820e+02 4.155489820e+02 1.16 3.822558731e+02 3.822558731e+02 1.18 3.519179647e+02 3.519179647e+02 1.20 3.242391410e+02 3.242391410e+02 1.22 2.989544218e+02 2.989544218e+02 1.24 2.758316417e+02 2.758316417e+02 1.26 2.546607020e+02 2.546607020e+02 1.28 2.352535630e+02 2.352535630e+02 1.30 2.174403769e+02 2.174403769e+02 1.32 2.010721265e+02 2.010721265e+02 1.34 1.860142131e+02 1.860142131e+02 1.36 1.721470555e+02 1.721470555e+02 1.38 1.593624104e+02 1.593624104e+02 1.40 1.475627162e+02 1.475627162e+02 1.42 1.366603256e+02 1.366603256e+02 1.44 1.265776204e+02 1.265776204e+02 1.46 1.172439561e+02 1.172439561e+02 1.48 1.085953614e+02 1.085953614e+02 1.50 1.005746109e+02 1.005746109e+02 1.52 9.313024251e+01 9.313024251e+01 1.54 8.621490896e+01 8.621490896e+01 1.56 7.978565778e+01 7.978565778e+01 1.58 7.380440835e+01 7.380440835e+01 1.60 6.823717570e+01 6.823717570e+01 1.62 6.305224673e+01 6.305224673e+01 1.64 5.822052868e+01 5.822052868e+01 1.66 5.371563213e+01 5.371563213e+01 1.68 4.951346869e+01 4.951346869e+01 1.70 4.559184161e+01 4.559184161e+01 1.72 4.192983938e+01 4.192983938e+01 1.74 3.850997234e+01 3.850997234e+01 1.76 3.531518422e+01 3.531518422e+01 1.78 3.232918329e+01 3.232918329e+01 1.80 2.953788710e+01 2.953788710e+01 1.82 2.693017716e+01 2.693017716e+01 1.84 2.447177519e+01 2.447177519e+01 1.86 2.217858301e+01 2.217858301e+01 1.88 2.003111509e+01 2.003111509e+01 1.90 1.802031551e+01 1.802031551e+01 1.92 1.613977630e+01 1.613977630e+01 1.94 1.438316386e+01 1.438316386e+01 1.96 1.274433995e+01 1.274433995e+01 1.98 1.121736310e+01 1.121736310e+01 2.00 9.796472997e+00 9.796472997e+00 2.02 8.476096914e+00 8.476096914e+00 2.04 7.250854767e+00 7.250854767e+00 2.06 6.115347293e+00 6.115347293e+00 2.08 5.064746716e+00 5.064746716e+00 2.10 4.094539282e+00 4.094539282e+00 2.12 3.199382680e+00 3.199382680e+00 2.14 2.375167608e+00 2.375167608e+00 2.16 1.617906329e+00 1.617906329e+00 2.18 9.235898879e-01 9.235898879e-01 2.20 2.883918788e-01 2.883918788e-01 2.22 -2.911768859e-01 -2.911768859e-01 2.24 -8.186542408e-01 -8.186542408e-01 2.26 -1.297422416e+00 -1.297422416e+00 2.28 -1.730634080e+00 -1.730634080e+00 2.30 -2.121334809e+00 -2.121334809e+00 2.32 -2.472384102e+00 -2.472384102e+00 2.34 -2.786279726e+00 -2.786279726e+00 2.36 -3.065747180e+00 -3.065747180e+00 2.38 -3.313012081e+00 -3.313012081e+00 2.40 -3.530107775e+00 -3.530107775e+00 2.42 -3.719815835e+00 -3.719815835e+00 2.44 -3.884004678e+00 -3.884004678e+00 2.46 -4.024596305e+00 -4.024596305e+00 2.48 -4.143223412e+00 -4.143223412e+00 2.50 -4.241707841e+00 -4.241707841e+00 2.52 -4.322070286e+00 -4.322070286e+00 2.54 -4.385654619e+00 -4.385654619e+00 2.56 -4.433703823e+00 -4.433703823e+00 2.58 -4.467537020e+00 -4.467537020e+00 2.60 -4.488388560e+00 -4.488388560e+00 2.62 -4.497411445e+00 -4.497411445e+00 2.64 -4.495522122e+00 -4.495522122e+00 2.66 -4.483729148e+00 -4.483729148e+00 2.68 -4.463348677e+00 -4.463348677e+00 2.70 -4.435019635e+00 -4.435019635e+00 2.72 -4.399552677e+00 -4.399552677e+00 2.74 -4.357266886e+00 -4.357266886e+00 2.76 -4.309262683e+00 -4.309262683e+00 2.78 -4.257255922e+00 -4.257255922e+00 2.80 -4.201413406e+00 -4.201413406e+00 2.82 -4.141586635e+00 -4.141586635e+00 2.84 -4.078311926e+00 -4.078311926e+00 2.86 -4.011497755e+00 -4.011497755e+00 2.88 -3.941879648e+00 -3.941879648e+00 2.90 -3.870113963e+00 -3.870113963e+00 2.92 -3.796557849e+00 -3.796557849e+00 2.94 -3.721556999e+00 -3.721556999e+00 2.96 -3.645682912e+00 -3.645682912e+00 2.98 -3.568905354e+00 -3.568905354e+00 3.00 -3.491564430e+00 -3.491564430e+00 3.02 -3.412510375e+00 -3.412510375e+00 3.04 -3.333004192e+00 -3.333004192e+00 3.06 -3.253572152e+00 -3.253572152e+00 3.08 -3.174374423e+00 -3.174374423e+00 3.10 -3.095563387e+00 -3.095563387e+00 3.12 -3.017273813e+00 -3.017273813e+00 3.14 -2.939626238e+00 -2.939626238e+00 3.16 -2.862728106e+00 -2.862728106e+00 3.18 -2.786674779e+00 -2.786674779e+00 3.20 -2.711550508e+00 -2.711550508e+00 3.22 -2.637429361e+00 -2.637429361e+00 3.24 -2.564368541e+00 -2.564368541e+00 3.26 -2.493339771e+00 -2.493339771e+00 3.28 -2.423759696e+00 -2.423759696e+00 3.30 -2.355325952e+00 -2.355325952e+00 3.32 -2.288076961e+00 -2.288076961e+00 3.34 -2.222045209e+00 -2.222045209e+00 3.36 -2.157257101e+00 -2.157257101e+00 3.38 -2.093732695e+00 -2.093732695e+00 3.40 -2.031488549e+00 -2.031488549e+00 3.42 -1.970563395e+00 -1.970563395e+00 3.44 -1.910932274e+00 -1.910932274e+00 3.46 -1.852499284e+00 -1.852499284e+00 3.48 -1.795269422e+00 -1.795269422e+00 3.50 -1.739328030e+00 -1.739328030e+00 3.52 -1.684710496e+00 -1.684710496e+00 3.54 -1.631361523e+00 -1.631361523e+00 3.56 -1.579228692e+00 -1.579228692e+00 3.58 -1.528306843e+00 -1.528306843e+00 3.60 -1.478609475e+00 -1.478609475e+00 3.62 -1.430078416e+00 -1.430078416e+00 3.64 -1.382649182e+00 -1.382649182e+00 3.66 -1.336320129e+00 -1.336320129e+00 3.68 -1.291160993e+00 -1.291160993e+00 3.70 -1.247222651e+00 -1.247222651e+00 3.72 -1.204510676e+00 -1.204510676e+00 3.74 -1.162987876e+00 -1.162987876e+00 3.76 -1.122622204e+00 -1.122622204e+00 3.78 -1.083385605e+00 -1.083385605e+00 3.80 -1.045252107e+00 -1.045252107e+00 3.82 -1.008193300e+00 -1.008193300e+00 3.84 -9.721936267e-01 -9.721936267e-01 3.86 -9.372266897e-01 -9.372266897e-01 3.88 -9.032812633e-01 -9.032812633e-01 3.90 -8.703305956e-01 -8.703305956e-01 3.92 -8.382927110e-01 -8.382927110e-01 3.94 -8.071589814e-01 -8.071589814e-01 3.96 -7.769138222e-01 -7.769138222e-01 3.98 -7.475452028e-01 -7.475452028e-01 4.00 -7.191036608e-01 -7.191036608e-01 4.02 -6.916242988e-01 -6.916242988e-01 4.04 -6.651444190e-01 -6.651444190e-01 4.06 -6.397055155e-01 -6.397055155e-01 4.08 -6.152773177e-01 -6.152773177e-01 4.10 -5.917633505e-01 -5.917633505e-01 4.12 -5.691138430e-01 -5.691138430e-01 4.14 -5.471796537e-01 -5.471796537e-01 4.16 -5.258688043e-01 -5.258688043e-01 4.18 -5.054151941e-01 -5.054151941e-01 4.20 -4.853051859e-01 -4.853051859e-01 4.22 -4.654850913e-01 -4.654850913e-01 4.24 -4.459198271e-01 -4.459198271e-01 4.26 -4.265883142e-01 -4.265883142e-01 4.28 -4.074527255e-01 -4.074527255e-01 4.30 -3.885384329e-01 -3.885384329e-01 4.32 -3.698875687e-01 -3.698875687e-01 4.34 -3.515182332e-01 -3.515182332e-01 4.36 -3.334474455e-01 -3.334474455e-01 4.38 -3.157128518e-01 -3.157128518e-01 4.40 -2.983971425e-01 -2.983971425e-01 4.42 -2.815646764e-01 -2.815646764e-01 4.44 -2.652631156e-01 -2.652631156e-01 4.46 -2.495262511e-01 -2.495262511e-01 4.48 -2.343764042e-01 -2.343764042e-01 4.50 -2.198264675e-01 -2.198264675e-01 4.52 -2.058816323e-01 -2.058816323e-01 4.54 -1.925408507e-01 -1.925408507e-01 4.56 -1.797980685e-01 -1.797980685e-01 4.58 -1.676458166e-01 -1.676458166e-01 4.60 -1.566040339e-01 -1.566040339e-01 4.62 -1.466086261e-01 -1.466086261e-01 4.64 -1.370915336e-01 -1.370915336e-01 4.66 -1.280366128e-01 -1.280366128e-01 4.68 -1.194271196e-01 -1.194271196e-01 4.70 -1.112459583e-01 -1.112459583e-01 4.72 -1.034758868e-01 -1.034758868e-01 4.74 -9.609968322e-02 -9.609968322e-02 4.76 -8.910028228e-02 -8.910028228e-02 4.78 -8.246409110e-02 -8.246409110e-02 4.80 -7.619151304e-02 -7.619151304e-02 4.82 -7.075691435e-02 -7.075691435e-02 4.84 -6.562491662e-02 -6.562491662e-02 4.86 -6.076054790e-02 -6.076054790e-02 4.88 -5.614948942e-02 -5.614948942e-02 4.90 -5.177943865e-02 -5.177943865e-02 4.92 -4.763855539e-02 -4.763855539e-02 4.94 -4.371546698e-02 -4.371546698e-02 4.96 -3.999926874e-02 -3.999926874e-02 4.98 -3.647952057e-02 -3.647952057e-02 5.00 -3.314624049e-02 -3.314624049e-02 5.02 -2.998989574e-02 -2.998989574e-02 5.04 -2.700139195e-02 -2.700139195e-02 5.06 -2.417206080e-02 -2.417206080e-02 5.08 -2.149364671e-02 -2.149364671e-02 5.10 -1.895829268e-02 -1.895829268e-02 5.12 -1.655852575e-02 -1.655852575e-02 5.14 -1.428724210e-02 -1.428724210e-02 5.16 -1.213769207e-02 -1.213769207e-02 5.18 -1.010346530e-02 -1.010346530e-02 5.20 -8.178475939e-03 -8.178475939e-03 5.22 -6.356948103e-03 -6.356948103e-03 5.24 -4.633401699e-03 -4.633401699e-03 5.26 -3.002638617e-03 -3.002638617e-03 5.28 -1.460675800e-03 -1.460675800e-03 5.30 -2.287253246e-15 -2.286746123e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00