# 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 = NiPt2 # 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 1.320308153e+03 0.86 1.195338105e+03 0.88 1.082921064e+03 0.90 9.816754150e+02 0.92 8.903994251e+02 0.94 8.080330074e+02 0.96 7.336505249e+02 0.98 6.664313006e+02 1.00 6.056458436e+02 1.02 5.506497512e+02 1.04 5.008685098e+02 1.06 4.557878789e+02 1.08 4.149443252e+02 1.10 3.779291355e+02 1.12 3.443666639e+02 1.14 3.139213882e+02 1.16 2.862962032e+02 1.18 2.612200968e+02 1.20 2.384461756e+02 1.22 2.177509860e+02 1.24 1.989387417e+02 1.26 1.818285021e+02 1.28 1.662573409e+02 1.30 1.520759403e+02 1.32 1.391519591e+02 1.34 1.273652067e+02 1.36 1.166086408e+02 1.38 1.067842010e+02 1.40 9.780340601e+01 1.42 8.958576258e+01 1.44 8.205995139e+01 1.46 7.516088856e+01 1.48 6.882952993e+01 1.50 6.301325038e+01 1.52 5.766499132e+01 1.54 5.274193289e+01 1.56 4.820453109e+01 1.58 4.401789440e+01 1.60 4.015191096e+01 1.62 3.657862653e+01 1.64 3.327202156e+01 1.66 3.020904912e+01 1.68 2.736896889e+01 1.70 2.473455305e+01 1.72 2.229347722e+01 1.74 2.004053696e+01 1.76 1.796126403e+01 1.78 1.604172707e+01 1.80 1.427045916e+01 1.82 1.263688702e+01 1.84 1.109739380e+01 1.86 9.679508522e+00 1.88 8.352430767e+00 1.90 7.112151381e+00 1.92 5.955083430e+00 1.94 4.877576691e+00 1.96 3.876163617e+00 1.98 2.947471837e+00 2.00 2.088194116e+00 2.02 1.295084019e+00 2.04 5.649548610e-01 2.06 -1.055357553e-01 2.08 -7.186494065e-01 2.10 -1.278400779e+00 2.12 -1.787227855e+00 2.14 -2.248077460e+00 2.16 -2.663663150e+00 2.18 -3.036678346e+00 2.20 -3.369734180e+00 2.22 -3.665356508e+00 2.24 -3.925983404e+00 2.26 -4.153963060e+00 2.28 -4.351554190e+00 2.30 -4.520622441e+00 2.32 -4.663816223e+00 2.34 -4.782868709e+00 2.36 -4.879592023e+00 2.38 -4.955155012e+00 2.40 -5.011925264e+00 2.42 -5.051505060e+00 2.44 -5.075404394e+00 2.46 -5.085043608e+00 2.48 -5.081755396e+00 2.50 -5.066782678e+00 2.52 -5.042221203e+00 2.54 -5.008660549e+00 2.56 -4.966643694e+00 2.58 -4.917099403e+00 2.60 -4.860889087e+00 2.62 -4.798808731e+00 2.64 -4.731592464e+00 2.66 -4.660260855e+00 2.68 -4.585267654e+00 2.70 -4.506500613e+00 2.72 -4.424095620e+00 2.74 -4.338024801e+00 2.76 -4.250304512e+00 2.78 -4.161535577e+00 2.80 -4.071937511e+00 2.82 -3.981634180e+00 2.84 -3.890911360e+00 2.86 -3.800025879e+00 2.88 -3.709208011e+00 2.90 -3.618663675e+00 2.92 -3.528576460e+00 2.94 -3.439131210e+00 2.96 -3.350853311e+00 2.98 -3.263451763e+00 3.00 -3.177032526e+00 3.02 -3.091695346e+00 3.04 -3.007526869e+00 3.06 -2.924601906e+00 3.08 -2.842984658e+00 3.10 -2.762729389e+00 3.12 -2.683881337e+00 3.14 -2.606478192e+00 3.16 -2.530550155e+00 3.18 -2.456120387e+00 3.20 -2.383205614e+00 3.22 -2.311820804e+00 3.24 -2.241968278e+00 3.26 -2.174656838e+00 3.28 -2.109205774e+00 3.30 -2.045153201e+00 3.32 -1.982304633e+00 3.34 -1.920606266e+00 3.36 -1.860239669e+00 3.38 -1.801368372e+00 3.40 -1.744032102e+00 3.42 -1.688146289e+00 3.44 -1.633551521e+00 3.46 -1.580212545e+00 3.48 -1.528220652e+00 3.50 -1.477617819e+00 3.52 -1.428375891e+00 3.54 -1.380439359e+00 3.56 -1.333785506e+00 3.58 -1.288406138e+00 3.60 -1.244293381e+00 3.62 -1.201422255e+00 3.64 -1.159625448e+00 3.66 -1.118925739e+00 3.68 -1.079386699e+00 3.70 -1.041053236e+00 3.72 -1.003955437e+00 3.74 -9.681073465e-01 3.76 -9.335494006e-01 3.78 -9.003564277e-01 3.80 -8.682775574e-01 3.82 -8.370997365e-01 3.84 -8.066535494e-01 3.86 -7.768240424e-01 3.88 -7.475450216e-01 3.90 -7.187789026e-01 3.92 -6.905094602e-01 3.94 -6.627206499e-01 3.96 -6.353269614e-01 3.98 -6.083412171e-01 4.00 -5.817847317e-01 4.02 -5.558182493e-01 4.04 -5.305720811e-01 4.06 -5.061419758e-01 4.08 -4.825953787e-01 4.10 -4.600196965e-01 4.12 -4.384729530e-01 4.14 -4.178303758e-01 4.16 -3.979839847e-01 4.18 -3.788473609e-01 4.20 -3.603519495e-01 4.22 -3.424438860e-01 4.24 -3.250812868e-01 4.26 -3.082319483e-01 4.28 -2.918713936e-01 4.30 -2.759812344e-01 4.32 -2.605477994e-01 4.34 -2.455576729e-01 4.36 -2.309581083e-01 4.38 -2.167777280e-01 4.40 -2.030619189e-01 4.42 -1.898427399e-01 4.44 -1.771412606e-01 4.46 -1.649695482e-01 4.48 -1.533323423e-01 4.50 -1.422284731e-01 4.52 -1.316520539e-01 4.54 -1.215934809e-01 4.56 -1.120402726e-01 4.58 -1.029803798e-01 4.60 -9.494076393e-02 4.62 -8.784813806e-02 4.64 -8.112344968e-02 4.66 -7.475302398e-02 4.68 -6.872272066e-02 4.70 -6.301815882e-02 4.72 -5.762489917e-02 4.74 -5.252858971e-02 4.76 -4.771508204e-02 4.78 -4.317702376e-02 4.80 -3.893512058e-02 4.82 -3.597198406e-02 4.84 -3.322164498e-02 4.86 -3.063142313e-02 4.88 -2.818991928e-02 4.90 -2.588921846e-02 4.92 -2.372172415e-02 4.94 -2.168016472e-02 4.96 -1.975759537e-02 4.98 -1.794739631e-02 5.00 -1.624326829e-02 5.02 -1.463922574e-02 5.04 -1.312958840e-02 5.06 -1.170897157e-02 5.08 -1.037227555e-02 5.10 -9.114674494e-03 5.12 -7.931604934e-03 5.14 -6.818754145e-03 5.16 -5.772048503e-03 5.18 -4.787641989e-03 5.20 -3.861904874e-03 5.22 -2.991412685e-03 5.24 -2.172935519e-03 5.26 -1.403427735e-03 5.28 -6.804569249e-04 5.30 -1.064494426e-15 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