# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoCr2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 5.210731225e+02 0.86 4.827445497e+02 0.88 4.470637398e+02 0.90 4.138553010e+02 0.92 3.829550833e+02 0.94 3.542094961e+02 0.96 3.274748423e+02 0.98 3.026166725e+02 1.00 2.795092076e+02 1.02 2.580347988e+02 1.04 2.380834189e+02 1.06 2.195521850e+02 1.08 2.023448899e+02 1.10 1.863715835e+02 1.12 1.715482086e+02 1.14 1.577962270e+02 1.16 1.450422671e+02 1.18 1.332177933e+02 1.20 1.222587969e+02 1.22 1.121055053e+02 1.24 1.027021265e+02 1.26 9.399660256e+01 1.28 8.594033437e+01 1.30 7.848795684e+01 1.32 7.159713201e+01 1.34 6.522835500e+01 1.36 5.934477195e+01 1.38 5.391200898e+01 1.40 4.889801197e+01 1.42 4.427289066e+01 1.44 4.000875076e+01 1.46 3.607959284e+01 1.48 3.246120309e+01 1.50 2.913103463e+01 1.52 2.606809633e+01 1.54 2.325284911e+01 1.56 2.066710877e+01 1.58 1.829395533e+01 1.60 1.611764822e+01 1.62 1.412354705e+01 1.64 1.229804661e+01 1.66 1.062853309e+01 1.68 9.103282463e+00 1.70 7.711390220e+00 1.72 6.442717128e+00 1.74 5.287838341e+00 1.76 4.237995771e+00 1.78 3.285053491e+00 1.80 2.421455965e+00 1.82 1.640188978e+00 1.84 9.347430590e-01 1.86 2.990792638e-01 1.88 -2.724037121e-01 1.90 -7.849246990e-01 1.92 -1.243344841e+00 1.94 -1.652160269e+00 1.96 -2.015526377e+00 1.98 -2.337282296e+00 2.00 -2.620973657e+00 2.02 -2.869873780e+00 2.04 -3.087003389e+00 2.06 -3.275148944e+00 2.08 -3.436879703e+00 2.10 -3.574563585e+00 2.12 -3.690381918e+00 2.14 -3.786343156e+00 2.16 -3.864295620e+00 2.18 -3.925929858e+00 2.20 -3.972760569e+00 2.22 -4.006174653e+00 2.24 -4.027452837e+00 2.26 -4.037774531e+00 2.28 -4.038228093e+00 2.30 -4.029816486e+00 2.32 -4.013462375e+00 2.34 -3.990014305e+00 2.36 -3.960251997e+00 2.38 -3.924891297e+00 2.40 -3.884588793e+00 2.42 -3.839946130e+00 2.44 -3.791514031e+00 2.46 -3.739786905e+00 2.48 -3.685182093e+00 2.50 -3.628075598e+00 2.52 -3.568814143e+00 2.54 -3.507717107e+00 2.56 -3.445078349e+00 2.58 -3.381167925e+00 2.60 -3.316233692e+00 2.62 -3.250502824e+00 2.64 -3.184183230e+00 2.66 -3.117464885e+00 2.68 -3.050521079e+00 2.70 -2.983509588e+00 2.72 -2.916573771e+00 2.74 -2.849843602e+00 2.76 -2.783436622e+00 2.78 -2.717458849e+00 2.80 -2.652005627e+00 2.82 -2.587162400e+00 2.84 -2.523005462e+00 2.86 -2.459602636e+00 2.88 -2.397013922e+00 2.90 -2.335292098e+00 2.92 -2.274483278e+00 2.94 -2.214627436e+00 2.96 -2.155758891e+00 2.98 -2.097906766e+00 3.00 -2.041095402e+00 3.02 -1.985344760e+00 3.04 -1.930670783e+00 3.06 -1.877085736e+00 3.08 -1.824598522e+00 3.10 -1.773214981e+00 3.12 -1.722938155e+00 3.14 -1.673768547e+00 3.16 -1.625704356e+00 3.18 -1.578741691e+00 3.20 -1.532874776e+00 3.22 -1.488096136e+00 3.24 -1.444396769e+00 3.26 -1.401766309e+00 3.28 -1.360193170e+00 3.30 -1.319664684e+00 3.32 -1.280167229e+00 3.34 -1.241686344e+00 3.36 -1.204206834e+00 3.38 -1.167712871e+00 3.40 -1.132188086e+00 3.42 -1.097615649e+00 3.44 -1.063978348e+00 3.46 -1.031258659e+00 3.48 -9.994388089e-01 3.50 -9.685008370e-01 3.52 -9.384266462e-01 3.54 -9.091980537e-01 3.56 -8.807968350e-01 3.58 -8.532047648e-01 3.60 -8.264036540e-01 3.62 -8.003753829e-01 3.64 -7.751019314e-01 3.66 -7.505654062e-01 3.68 -7.267480656e-01 3.70 -7.036323405e-01 3.72 -6.812008548e-01 3.74 -6.594364422e-01 3.76 -6.383221615e-01 3.78 -6.178413104e-01 3.80 -5.979774368e-01 3.82 -5.786756374e-01 3.84 -5.565670403e-01 3.86 -5.165543115e-01 3.88 -4.444080791e-01 3.90 -3.896180352e-01 3.92 -3.770734195e-01 3.94 -3.649116574e-01 3.96 -3.531223845e-01 3.98 -3.416954306e-01 4.00 -3.306208229e-01 4.02 -3.198887875e-01 4.04 -3.094897508e-01 4.06 -2.994143407e-01 4.08 -2.896533869e-01 4.10 -2.801979208e-01 4.12 -2.710391751e-01 4.14 -2.621685835e-01 4.16 -2.535777787e-01 4.18 -2.452585922e-01 4.20 -2.372030515e-01 4.22 -2.294033792e-01 4.24 -2.218519902e-01 4.26 -2.145414898e-01 4.28 -2.074646712e-01 4.30 -2.006145128e-01 4.32 -1.939841756e-01 4.34 -1.875670000e-01 4.36 -1.813565035e-01 4.38 -1.753463770e-01 4.40 -1.695304820e-01 4.42 -1.634736424e-01 4.44 -1.518701319e-01 4.46 -1.219544509e-01 4.48 -6.163250971e-02 4.50 -7.117101430e-23 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00