# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CuNi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan -3.947864070e+02 -3.947864070e+02 nan nan 0.82 nan nan nan nan -3.650912671e+02 -3.650912671e+02 nan nan 0.84 nan nan nan nan -3.364554655e+02 -3.364554655e+02 nan nan 0.86 nan nan nan nan -3.097476384e+02 -3.097476384e+02 nan nan 0.88 nan nan nan nan -2.853117029e+02 -2.853117029e+02 nan nan 0.90 -4.313183027e+02 -4.313183027e+02 nan nan -2.637775612e+02 -2.637775612e+02 nan nan 0.92 -4.028880149e+02 -4.028880149e+02 nan nan -2.443990378e+02 -2.443990378e+02 nan nan 0.94 -3.752285688e+02 -3.752285688e+02 nan nan -2.249530570e+02 -2.249530570e+02 nan nan 0.96 -3.486591302e+02 -3.486591302e+02 nan nan -2.051799299e+02 -2.051799299e+02 nan nan 0.98 -3.250685332e+02 -3.250685332e+02 nan nan -1.863368592e+02 -1.863368592e+02 nan nan 1.00 -3.046142750e+02 -3.046142750e+02 nan nan -1.689573912e+02 -1.689573912e+02 nan nan 1.02 -2.860104324e+02 -2.860104324e+02 -3.795578044e+02 -3.795578044e+02 -1.529558461e+02 -1.529558461e+02 -4.010209969e+02 -4.010209969e+02 1.04 -2.689208601e+02 -2.689208601e+02 -3.585307814e+02 -3.585307814e+02 -1.381754105e+02 -1.381754105e+02 -3.783138042e+02 -3.783138042e+02 1.06 -2.533176085e+02 -2.533176085e+02 -3.382996727e+02 -3.382996727e+02 -1.245599580e+02 -1.245599580e+02 -3.568038567e+02 -3.568038567e+02 1.08 -2.380964721e+02 -2.380964721e+02 -3.194020172e+02 -3.194020172e+02 -1.122390135e+02 -1.122390135e+02 -3.360229249e+02 -3.360229249e+02 1.10 -2.227549496e+02 -2.227549496e+02 -3.015627125e+02 -3.015627125e+02 -1.011122295e+02 -1.011122295e+02 -3.157464529e+02 -3.157464529e+02 1.12 -2.081850162e+02 -2.081850162e+02 -2.840427049e+02 -2.840427049e+02 -9.083207791e+01 -9.083207791e+01 -2.964054768e+02 -2.964054768e+02 1.14 -1.951846279e+02 -1.951846279e+02 -2.667428249e+02 -2.667428249e+02 -8.153560315e+01 -8.153560315e+01 -2.786974967e+02 -2.786974967e+02 1.16 -1.836748669e+02 -1.836748669e+02 -2.498958505e+02 -2.498958505e+02 -7.371355226e+01 -7.371355226e+01 -2.629116606e+02 -2.629116606e+02 1.18 -1.729361138e+02 -1.729361138e+02 -2.342160967e+02 -2.342160967e+02 -6.764689075e+01 -6.764689075e+01 -2.487710853e+02 -2.487710853e+02 1.20 -1.623037466e+02 -1.623037466e+02 -2.206311308e+02 -2.206311308e+02 -6.328424380e+01 -6.328424380e+01 -2.357919467e+02 -2.357919467e+02 1.22 -1.516495408e+02 -1.516495408e+02 -2.091330791e+02 -2.091330791e+02 -6.023391584e+01 -6.023391584e+01 -2.236972087e+02 -2.236972087e+02 1.24 -1.412111813e+02 -1.412111813e+02 -1.988157522e+02 -1.988157522e+02 -5.769943054e+01 -5.769943054e+01 -2.124619475e+02 -2.124619475e+02 1.26 -1.311253574e+02 -1.311253574e+02 -1.890168051e+02 -1.890168051e+02 -5.494387558e+01 -5.494387558e+01 -2.019690113e+02 -2.019690113e+02 1.28 -1.212196084e+02 -1.212196084e+02 -1.796975233e+02 -1.796975233e+02 -5.173831813e+01 -5.173831813e+01 -1.919177548e+02 -1.919177548e+02 1.30 -1.112213471e+02 -1.112213471e+02 -1.708167997e+02 -1.708167997e+02 -4.827068161e+01 -4.827068161e+01 -1.820086356e+02 -1.820086356e+02 1.32 -1.010204530e+02 -1.010204530e+02 -1.620807787e+02 -1.620807787e+02 -4.475238309e+01 -4.475238309e+01 -1.722272292e+02 -1.722272292e+02 1.34 -9.074183890e+01 -9.074183890e+01 -1.532686639e+02 -1.532686639e+02 -4.117658911e+01 -4.117658911e+01 -1.627303224e+02 -1.627303224e+02 1.36 -8.084228820e+01 -8.084228820e+01 -1.446121047e+02 -1.446121047e+02 -3.750554441e+01 -3.750554441e+01 -1.535708780e+02 -1.535708780e+02 1.38 -7.187511601e+01 -7.187511601e+01 -1.365401385e+02 -1.365401385e+02 -3.385510641e+01 -3.385510641e+01 -1.447802154e+02 -1.447802154e+02 1.40 -6.421365169e+01 -6.421365169e+01 -1.291680823e+02 -1.291680823e+02 -3.039522947e+01 -3.039522947e+01 -1.365393586e+02 -1.365393586e+02 1.42 -5.788781483e+01 -5.788781483e+01 -1.221661069e+02 -1.221661069e+02 -2.715533436e+01 -2.715533436e+01 -1.289924777e+02 -1.289924777e+02 1.44 -5.259121379e+01 -5.259121379e+01 -1.151531206e+02 -1.151531206e+02 -2.405100392e+01 -2.405100392e+01 -1.220112644e+02 -1.220112644e+02 1.46 -4.781108158e+01 -4.781108158e+01 -1.079679743e+02 -1.079679743e+02 -2.092555409e+01 -2.092555409e+01 -1.152424613e+02 -1.152424613e+02 1.48 -4.319010402e+01 -4.319010402e+01 -1.006854244e+02 -1.006854244e+02 -1.761970219e+01 -1.761970219e+01 -1.084198052e+02 -1.084198052e+02 1.50 -3.870460422e+01 -3.870460422e+01 -9.346261130e+01 -9.346261130e+01 -1.409277582e+01 -1.409277582e+01 -1.014874475e+02 -1.014874475e+02 1.52 -3.448821364e+01 -3.448821364e+01 -8.643665181e+01 -8.643665181e+01 -1.065523484e+01 -1.065523484e+01 -9.448784510e+01 -9.448784510e+01 1.54 -3.064299938e+01 -3.064299938e+01 -7.963814179e+01 -7.963814179e+01 -7.771238975e+00 -7.771238975e+00 -8.744500285e+01 -8.744500285e+01 1.56 -2.720806245e+01 -2.720806245e+01 -7.291072467e+01 -7.291072467e+01 -5.628050533e+00 -5.628050533e+00 -8.037990898e+01 -8.037990898e+01 1.58 -2.418666897e+01 -2.418666897e+01 -6.594975621e+01 -6.594975621e+01 -4.090044640e+00 -4.090044640e+00 -7.335805122e+01 -7.335805122e+01 1.60 -2.156598534e+01 -2.156598534e+01 -5.851759627e+01 -5.851759627e+01 -2.998587137e+00 -2.998587137e+00 -6.643538864e+01 -6.643538864e+01 1.62 -1.926417946e+01 -1.926417946e+01 -5.068263230e+01 -5.068263230e+01 -2.247511657e+00 -2.247511657e+00 -5.960278162e+01 -5.960278162e+01 1.64 -1.715890967e+01 -1.715890967e+01 -4.278795712e+01 -4.278795712e+01 -1.751493617e+00 -1.751493617e+00 -5.283418970e+01 -5.283418970e+01 1.66 -1.516015766e+01 -1.516015766e+01 -3.520702925e+01 -3.520702925e+01 -1.413473743e+00 -1.413473743e+00 -4.615788882e+01 -4.615788882e+01 1.68 -1.324035451e+01 -1.324035451e+01 -2.814783334e+01 -2.814783334e+01 -1.140473752e+00 -1.140473752e+00 -3.966806833e+01 -3.966806833e+01 1.70 -1.142611228e+01 -1.142611228e+01 -2.167315601e+01 -2.167315601e+01 -9.229300025e-01 -9.229300025e-01 -3.347842271e+01 -3.347842271e+01 1.72 -9.719860088e+00 -9.719860088e+00 -1.583642014e+01 -1.583642014e+01 -8.136387254e-01 -8.136387254e-01 -2.765435878e+01 -2.765435878e+01 1.74 -8.154739062e+00 -8.154739062e+00 -1.070276133e+01 -1.070276133e+01 -7.803409298e-01 -7.803409298e-01 -2.219626906e+01 -2.219626906e+01 1.76 -6.779999386e+00 -6.779999386e+00 -6.542956384e+00 -6.542956384e+00 -7.819826515e-01 -7.819826515e-01 -1.705808793e+01 -1.705808793e+01 1.78 -5.631201976e+00 -5.631201976e+00 -3.856028195e+00 -3.856028195e+00 -7.956084736e-01 -7.956084736e-01 -1.221216057e+01 -1.221216057e+01 1.80 -4.675074608e+00 -4.675074608e+00 -2.188689441e+00 -2.188689441e+00 -8.152443893e-01 -8.152443893e-01 -7.831517620e+00 -7.831517620e+00 1.82 -3.846760660e+00 -3.846760660e+00 -1.140818264e+00 -1.140818264e+00 -8.419104329e-01 -8.419104329e-01 -4.558999777e+00 -4.558999777e+00 1.84 -3.123194135e+00 -3.123194135e+00 -4.831093263e-01 -4.831093263e-01 -8.760912112e-01 -8.760912112e-01 -2.394546199e+00 -2.394546199e+00 1.86 -2.530121250e+00 -2.530121250e+00 -1.081440550e-01 -1.081440550e-01 -9.180724934e-01 -9.180724934e-01 -1.030791623e+00 -1.030791623e+00 1.88 -2.093894811e+00 -2.093894811e+00 4.498699412e-02 4.498699412e-02 -9.688745911e-01 -9.688745911e-01 -2.251541738e-01 -2.251541738e-01 1.90 -1.809643900e+00 -1.809643900e+00 3.291504808e-02 3.291504808e-02 -1.028863409e+00 -1.028863409e+00 1.928832844e-01 1.928832844e-01 1.92 -1.648014949e+00 -1.648014949e+00 -8.967142048e-02 -8.967142048e-02 -1.097029307e+00 -1.097029307e+00 3.383300008e-01 3.383300008e-01 1.94 -1.571985484e+00 -1.571985484e+00 -2.822593770e-01 -2.822593770e-01 -1.171887855e+00 -1.171887855e+00 2.956459098e-01 2.956459098e-01 1.96 -1.544287062e+00 -1.544287062e+00 -5.198091759e-01 -5.198091759e-01 -1.252068857e+00 -1.252068857e+00 1.294447646e-01 1.294447646e-01 1.98 -1.537044742e+00 -1.537044742e+00 -7.867177395e-01 -7.867177395e-01 -1.337232310e+00 -1.337232310e+00 -1.109364746e-01 -1.109364746e-01 2.00 -1.547521309e+00 -1.547521309e+00 -1.072177503e+00 -1.072177503e+00 -1.427462217e+00 -1.427462217e+00 -3.903159952e-01 -3.903159952e-01 2.02 -1.610577948e+00 -1.610577948e+00 -1.368496192e+00 -1.368496192e+00 -1.522677255e+00 -1.522677255e+00 -6.866358887e-01 -6.866358887e-01 2.04 -1.735341138e+00 -1.735341138e+00 -1.670484888e+00 -1.670484888e+00 -1.622292649e+00 -1.622292649e+00 -9.884114284e-01 -9.884114284e-01 2.06 -1.895561168e+00 -1.895561168e+00 -1.973803428e+00 -1.973803428e+00 -1.725240438e+00 -1.725240438e+00 -1.289837879e+00 -1.289837879e+00 2.08 -2.067744631e+00 -2.067744631e+00 -2.273229611e+00 -2.273229611e+00 -1.829880934e+00 -1.829880934e+00 -1.585722244e+00 -1.585722244e+00 2.10 -2.235261677e+00 -2.235261677e+00 -2.561650071e+00 -2.561650071e+00 -1.934150797e+00 -1.934150797e+00 -1.869905431e+00 -1.869905431e+00 2.12 -2.392365719e+00 -2.392365719e+00 -2.830504227e+00 -2.830504227e+00 -2.035796212e+00 -2.035796212e+00 -2.136651340e+00 -2.136651340e+00 2.14 -2.539446359e+00 -2.539446359e+00 -3.071067806e+00 -3.071067806e+00 -2.132346699e+00 -2.132346699e+00 -2.382573326e+00 -2.382573326e+00 2.16 -2.676672646e+00 -2.676672646e+00 -3.276107233e+00 -3.276107233e+00 -2.221288182e+00 -2.221288182e+00 -2.607268659e+00 -2.607268659e+00 2.18 -2.803658270e+00 -2.803658270e+00 -3.441703408e+00 -3.441703408e+00 -2.300373356e+00 -2.300373356e+00 -2.810292870e+00 -2.810292870e+00 2.20 -2.918908603e+00 -2.918908603e+00 -3.567384364e+00 -3.567384364e+00 -2.367906255e+00 -2.367906255e+00 -2.992158824e+00 -2.992158824e+00 2.22 -3.020954188e+00 -3.020954188e+00 -3.655473332e+00 -3.655473332e+00 -2.423273107e+00 -2.423273107e+00 -3.153871679e+00 -3.153871679e+00 2.24 -3.109837775e+00 -3.109837775e+00 -3.709821382e+00 -3.709821382e+00 -2.467332292e+00 -2.467332292e+00 -3.297551727e+00 -3.297551727e+00 2.26 -3.185901383e+00 -3.185901383e+00 -3.736405498e+00 -3.736405498e+00 -2.501203028e+00 -2.501203028e+00 -3.425196934e+00 -3.425196934e+00 2.28 -3.250052880e+00 -3.250052880e+00 -3.747938761e+00 -3.747938761e+00 -2.525836756e+00 -2.525836756e+00 -3.537892168e+00 -3.537892168e+00 2.30 -3.303462100e+00 -3.303462100e+00 -3.757092789e+00 -3.757092789e+00 -2.542005542e+00 -2.542005542e+00 -3.636037656e+00 -3.636037656e+00 2.32 -3.347228020e+00 -3.347228020e+00 -3.771099445e+00 -3.771099445e+00 -2.550322315e+00 -2.550322315e+00 -3.719549586e+00 -3.719549586e+00 2.34 -3.382218126e+00 -3.382218126e+00 -3.788805844e+00 -3.788805844e+00 -2.551403668e+00 -2.551403668e+00 -3.788594256e+00 -3.788594256e+00 2.36 -3.409041212e+00 -3.409041212e+00 -3.808143942e+00 -3.808143942e+00 -2.545941299e+00 -2.545941299e+00 -3.844012568e+00 -3.844012568e+00 2.38 -3.428010937e+00 -3.428010937e+00 -3.826875771e+00 -3.826875771e+00 -2.534609926e+00 -2.534609926e+00 -3.887318549e+00 -3.887318549e+00 2.40 -3.439116418e+00 -3.439116418e+00 -3.842485819e+00 -3.842485819e+00 -2.518004834e+00 -2.518004834e+00 -3.920430363e+00 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-3.954019029e+00 2.56 -3.286124102e+00 -3.286124102e+00 -3.782995453e+00 -3.782995453e+00 -2.275809499e+00 -2.275809499e+00 -3.935971651e+00 -3.935971651e+00 2.58 -3.249177095e+00 -3.249177095e+00 -3.757875253e+00 -3.757875253e+00 -2.239059383e+00 -2.239059383e+00 -3.912522618e+00 -3.912522618e+00 2.60 -3.210373223e+00 -3.210373223e+00 -3.729800758e+00 -3.729800758e+00 -2.201710814e+00 -2.201710814e+00 -3.884086601e+00 -3.884086601e+00 2.62 -3.169985671e+00 -3.169985671e+00 -3.699364253e+00 -3.699364253e+00 -2.164044686e+00 -2.164044686e+00 -3.851183601e+00 -3.851183601e+00 2.64 -3.128308644e+00 -3.128308644e+00 -3.667217489e+00 -3.667217489e+00 -2.126289873e+00 -2.126289873e+00 -3.814433313e+00 -3.814433313e+00 2.66 -3.085636489e+00 -3.085636489e+00 -3.633970681e+00 -3.633970681e+00 -2.088608138e+00 -2.088608138e+00 -3.774423242e+00 -3.774423242e+00 2.68 -3.042228329e+00 -3.042228329e+00 -3.599937794e+00 -3.599937794e+00 -2.051069070e+00 -2.051069070e+00 -3.731740120e+00 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