# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNiPt2 # 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 nan nan 0.98 8.515676003e+02 8.515676003e+02 1.00 7.776632615e+02 7.776632615e+02 1.02 7.105554992e+02 7.105554992e+02 1.04 6.495864862e+02 6.495864862e+02 1.06 5.941680486e+02 5.941680486e+02 1.08 5.437673360e+02 5.437673360e+02 1.10 4.979146158e+02 4.979146158e+02 1.12 4.561786700e+02 4.561786700e+02 1.14 4.181718966e+02 4.181718966e+02 1.16 3.835489345e+02 3.835489345e+02 1.18 3.519945804e+02 3.519945804e+02 1.20 3.232226856e+02 3.232226856e+02 1.22 2.969722410e+02 2.969722410e+02 1.24 2.730138855e+02 2.730138855e+02 1.26 2.511345196e+02 2.511345196e+02 1.28 2.311414711e+02 2.311414711e+02 1.30 2.128582856e+02 2.128582856e+02 1.32 1.961284358e+02 1.961284358e+02 1.34 1.808089382e+02 1.808089382e+02 1.36 1.667709688e+02 1.667709688e+02 1.38 1.538969451e+02 1.538969451e+02 1.40 1.420792775e+02 1.420792775e+02 1.42 1.312211953e+02 1.312211953e+02 1.44 1.212369665e+02 1.212369665e+02 1.46 1.120473521e+02 1.120473521e+02 1.48 1.035805622e+02 1.035805622e+02 1.50 9.577217387e+01 9.577217387e+01 1.52 8.856412329e+01 8.856412329e+01 1.54 8.190345261e+01 8.190345261e+01 1.56 7.574142592e+01 7.574142592e+01 1.58 7.003472695e+01 7.003472695e+01 1.60 6.474597147e+01 6.474597147e+01 1.62 5.983987292e+01 5.983987292e+01 1.64 5.528431506e+01 5.528431506e+01 1.66 5.105035253e+01 5.105035253e+01 1.68 4.711179997e+01 4.711179997e+01 1.70 4.344476226e+01 4.344476226e+01 1.72 4.002691629e+01 4.002691629e+01 1.74 3.683992695e+01 3.683992695e+01 1.76 3.386604323e+01 3.386604323e+01 1.78 3.108811344e+01 3.108811344e+01 1.80 2.849215747e+01 2.849215747e+01 1.82 2.606531824e+01 2.606531824e+01 1.84 2.379536208e+01 2.379536208e+01 1.86 2.167239124e+01 2.167239124e+01 1.88 1.968864023e+01 1.968864023e+01 1.90 1.782438672e+01 1.782438672e+01 1.92 1.608002778e+01 1.608002778e+01 1.94 1.445787388e+01 1.445787388e+01 1.96 1.293216488e+01 1.293216488e+01 1.98 1.149833397e+01 1.149833397e+01 2.00 1.015229330e+01 1.015229330e+01 2.02 8.890044750e+00 8.890044750e+00 2.04 7.707758167e+00 7.707758167e+00 2.06 6.601715169e+00 6.601715169e+00 2.08 5.568299387e+00 5.568299387e+00 2.10 4.604051618e+00 4.604051618e+00 2.12 3.705339770e+00 3.705339770e+00 2.14 2.869472385e+00 2.869472385e+00 2.16 2.093614602e+00 2.093614602e+00 2.18 1.375435258e+00 1.375435258e+00 2.20 7.116349882e-01 7.116349882e-01 2.22 9.928892845e-02 9.928892845e-02 2.24 -4.641990279e-01 -4.641990279e-01 2.26 -9.813426131e-01 -9.813426131e-01 2.28 -1.454580604e+00 -1.454580604e+00 2.30 -1.886296547e+00 -1.886296547e+00 2.32 -2.278443058e+00 -2.278443058e+00 2.34 -2.633372976e+00 -2.633372976e+00 2.36 -2.953264314e+00 -2.953264314e+00 2.38 -3.240137092e+00 -3.240137092e+00 2.40 -3.496039261e+00 -3.496039261e+00 2.42 -3.722796416e+00 -3.722796416e+00 2.44 -3.922300548e+00 -3.922300548e+00 2.46 -4.096308265e+00 -4.096308265e+00 2.48 -4.246501489e+00 -4.246501489e+00 2.50 -4.374495047e+00 -4.374495047e+00 2.52 -4.482245689e+00 -4.482245689e+00 2.54 -4.571053904e+00 -4.571053904e+00 2.56 -4.642124856e+00 -4.642124856e+00 2.58 -4.696612598e+00 -4.696612598e+00 2.60 -4.735647777e+00 -4.735647777e+00 2.62 -4.760794459e+00 -4.760794459e+00 2.64 -4.773209537e+00 -4.773209537e+00 2.66 -4.774144684e+00 -4.774144684e+00 2.68 -4.764667235e+00 -4.764667235e+00 2.70 -4.745567570e+00 -4.745567570e+00 2.72 -4.717761492e+00 -4.717761492e+00 2.74 -4.682109738e+00 -4.682109738e+00 2.76 -4.639413807e+00 -4.639413807e+00 2.78 -4.590838879e+00 -4.590838879e+00 2.80 -4.536731743e+00 -4.536731743e+00 2.82 -4.477331102e+00 -4.477331102e+00 2.84 -4.413589600e+00 -4.413589600e+00 2.86 -4.346066818e+00 -4.346066818e+00 2.88 -4.275280676e+00 -4.275280676e+00 2.90 -4.201724577e+00 -4.201724577e+00 2.92 -4.126017230e+00 -4.126017230e+00 2.94 -4.047813070e+00 -4.047813070e+00 2.96 -3.967150714e+00 -3.967150714e+00 2.98 -3.885358714e+00 -3.885358714e+00 3.00 -3.802699154e+00 -3.802699154e+00 3.02 -3.719447955e+00 -3.719447955e+00 3.04 -3.635853457e+00 -3.635853457e+00 3.06 -3.552139640e+00 -3.552139640e+00 3.08 -3.468508945e+00 -3.468508945e+00 3.10 -3.385133830e+00 -3.385133830e+00 3.12 -3.302132596e+00 -3.302132596e+00 3.14 -3.219663876e+00 -3.219663876e+00 3.16 -3.137902839e+00 -3.137902839e+00 3.18 -3.056956074e+00 -3.056956074e+00 3.20 -2.976923636e+00 -2.976923636e+00 3.22 -2.897892579e+00 -2.897892579e+00 3.24 -2.819925638e+00 -2.819925638e+00 3.26 -2.743770427e+00 -2.743770427e+00 3.28 -2.669002542e+00 -2.669002542e+00 3.30 -2.595434133e+00 -2.595434133e+00 3.32 -2.523107251e+00 -2.523107251e+00 3.34 -2.452057907e+00 -2.452057907e+00 3.36 -2.382315834e+00 -2.382315834e+00 3.38 -2.313904606e+00 -2.313904606e+00 3.40 -2.246846861e+00 -2.246846861e+00 3.42 -2.181209207e+00 -2.181209207e+00 3.44 -2.116934976e+00 -2.116934976e+00 3.46 -2.054061204e+00 -2.054061204e+00 3.48 -1.992560696e+00 -1.992560696e+00 3.50 -1.932335553e+00 -1.932335553e+00 3.52 -1.873345831e+00 -1.873345831e+00 3.54 -1.815535701e+00 -1.815535701e+00 3.56 -1.758861484e+00 -1.758861484e+00 3.58 -1.703428339e+00 -1.703428339e+00 3.60 -1.649359931e+00 -1.649359931e+00 3.62 -1.596678733e+00 -1.596678733e+00 3.64 -1.545339395e+00 -1.545339395e+00 3.66 -1.495307912e+00 -1.495307912e+00 3.68 -1.446558983e+00 -1.446558983e+00 3.70 -1.399073196e+00 -1.399073196e+00 3.72 -1.352832382e+00 -1.352832382e+00 3.74 -1.307823682e+00 -1.307823682e+00 3.76 -1.264014266e+00 -1.264014266e+00 3.78 -1.221373052e+00 -1.221373052e+00 3.80 -1.179881019e+00 -1.179881019e+00 3.82 -1.139529177e+00 -1.139529177e+00 3.84 -1.100306649e+00 -1.100306649e+00 3.86 -1.062078055e+00 -1.062078055e+00 3.88 -1.024828451e+00 -1.024828451e+00 3.90 -9.886116513e-01 -9.886116513e-01 3.92 -9.534725386e-01 -9.534725386e-01 3.94 -9.194423085e-01 -9.194423085e-01 3.96 -8.864857498e-01 -8.864857498e-01 3.98 -8.545297617e-01 -8.545297617e-01 4.00 -8.236640167e-01 -8.236640167e-01 4.02 -7.938049657e-01 -7.938049657e-01 4.04 -7.648667574e-01 -7.648667574e-01 4.06 -7.367892660e-01 -7.367892660e-01 4.08 -7.095316879e-01 -7.095316879e-01 4.10 -6.830921851e-01 -6.830921851e-01 4.12 -6.575339681e-01 -6.575339681e-01 4.14 -6.327563991e-01 -6.327563991e-01 4.16 -6.085646516e-01 -6.085646516e-01 4.18 -5.850315709e-01 -5.850315709e-01 4.20 -5.616982742e-01 -5.616982742e-01 4.22 -5.384582273e-01 -5.384582273e-01 4.24 -5.153462112e-01 -5.153462112e-01 4.26 -4.924076365e-01 -4.924076365e-01 4.28 -4.696875802e-01 -4.696875802e-01 4.30 -4.472298793e-01 -4.472298793e-01 4.32 -4.250764159e-01 -4.250764159e-01 4.34 -4.032638928e-01 -4.032638928e-01 4.36 -3.817905199e-01 -3.817905199e-01 4.38 -3.606904189e-01 -3.606904189e-01 4.40 -3.400736393e-01 -3.400736393e-01 4.42 -3.200390043e-01 -3.200390043e-01 4.44 -3.006592970e-01 -3.006592970e-01 4.46 -2.819858718e-01 -2.819858718e-01 4.48 -2.640525449e-01 -2.640525449e-01 4.50 -2.468788650e-01 -2.468788650e-01 4.52 -2.304728585e-01 -2.304728585e-01 4.54 -2.148333307e-01 -2.148333307e-01 4.56 -1.999515978e-01 -1.999515978e-01 4.58 -1.857973395e-01 -1.857973395e-01 4.60 -1.728102739e-01 -1.728102739e-01 4.62 -1.609175339e-01 -1.609175339e-01 4.64 -1.496328107e-01 -1.496328107e-01 4.66 -1.389496281e-01 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-1.179480864e-02 -1.179480864e-02 5.20 -9.974863033e-03 -9.974863033e-03 5.22 -8.263603938e-03 -8.263603938e-03 5.24 -6.654649073e-03 -6.654649073e-03 5.26 -5.141954095e-03 -5.141954095e-03 5.28 -3.721726584e-03 -3.721726584e-03 5.30 -2.429352912e-03 -2.429352912e-03 5.32 -2.121336432e-03 -2.121336432e-03 5.34 -1.861658612e-03 -1.861658612e-03 5.36 -1.625020368e-03 -1.625020368e-03 5.38 -1.403163542e-03 -1.403163542e-03 5.40 -1.195186957e-03 -1.195186957e-03 5.42 -1.000242956e-03 -1.000242956e-03 5.44 -8.175342993e-04 -8.175342993e-04 5.46 -6.463112424e-04 -6.463112424e-04 5.48 -4.858687964e-04 -4.858687964e-04 5.50 -3.355441406e-04 -3.355441406e-04 5.52 -1.947141466e-04 -1.947141466e-04 5.54 -6.194909546e-05 -6.194909546e-05 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 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