# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Maisel-S-B-Ko-W-S-Zhang-J-L-et-al--V-Ni-Ti # implementation = 2017--Maisel-S-B--V-Ni-Ti--LAMMPS--ipr1 # composition = NiV2 # 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 nan 0.86 nan 0.88 nan 0.90 3.303035229e+02 0.92 3.106537570e+02 0.94 2.920781961e+02 0.96 2.745207889e+02 0.98 2.579283448e+02 1.00 2.422503866e+02 1.02 2.274390124e+02 1.04 2.134487642e+02 1.06 2.002365031e+02 1.08 1.877612919e+02 1.10 1.759842832e+02 1.12 1.648686131e+02 1.14 1.543793016e+02 1.16 1.444831569e+02 1.18 1.351486849e+02 1.20 1.263460042e+02 1.22 1.180467642e+02 1.24 1.102240682e+02 1.26 1.028524002e+02 1.28 9.590755549e+01 1.30 8.936657447e+01 1.32 8.320768016e+01 1.34 7.741021864e+01 1.36 7.195460258e+01 1.38 6.682225756e+01 1.40 6.199557110e+01 1.42 5.745784426e+01 1.44 5.319324559e+01 1.46 4.918676743e+01 1.48 4.542418443e+01 1.50 4.189201400e+01 1.52 3.857747888e+01 1.54 3.546847146e+01 1.56 3.255351993e+01 1.58 2.982175608e+01 1.60 2.726288473e+01 1.62 2.486715465e+01 1.64 2.262533093e+01 1.66 2.052866871e+01 1.68 1.856888824e+01 1.70 1.673815119e+01 1.72 1.502903803e+01 1.74 1.343452671e+01 1.76 1.194797223e+01 1.78 1.056308732e+01 1.80 9.273924054e+00 1.82 8.074856410e+00 1.84 6.960563624e+00 1.86 5.926014469e+00 1.88 4.966452232e+00 1.90 4.077380506e+00 1.92 3.254549666e+00 1.94 2.493944002e+00 1.96 1.791769546e+00 1.98 1.144442465e+00 2.00 5.485780526e-01 2.02 9.802933926e-04 2.04 -5.013680831e-01 2.06 -9.613150200e-01 2.08 -1.381548075e+00 2.10 -1.764602930e+00 2.12 -2.112871448e+00 2.14 -2.428609334e+00 2.16 -2.713943463e+00 2.18 -2.970878503e+00 2.20 -3.201303860e+00 2.22 -3.406999660e+00 2.24 -3.589642660e+00 2.26 -3.750811855e+00 2.28 -3.891993781e+00 2.30 -4.014587538e+00 2.32 -4.119909570e+00 2.34 -4.209198180e+00 2.36 -4.283617821e+00 2.38 -4.344263165e+00 2.40 -4.392162955e+00 2.42 -4.428283662e+00 2.44 -4.453532950e+00 2.46 -4.468767345e+00 2.48 -4.475077778e+00 2.50 -4.473445888e+00 2.52 -4.463087177e+00 2.54 -4.445616863e+00 2.56 -4.421653253e+00 2.58 -4.391775513e+00 2.60 -4.356525910e+00 2.62 -4.316411940e+00 2.64 -4.271908347e+00 2.66 -4.223459031e+00 2.68 -4.171478854e+00 2.70 -4.116355352e+00 2.72 -4.058450357e+00 2.74 -3.998101531e+00 2.76 -3.935623820e+00 2.78 -3.871310825e+00 2.80 -3.805436114e+00 2.82 -3.738254447e+00 2.84 -3.670002951e+00 2.86 -3.600902224e+00 2.88 -3.531157386e+00 2.90 -3.460959073e+00 2.92 -3.390484378e+00 2.94 -3.319897750e+00 2.96 -3.249351834e+00 2.98 -3.178988282e+00 3.00 -3.108938515e+00 3.02 -3.039871137e+00 3.04 -2.978500305e+00 3.06 -2.926500625e+00 3.08 -2.858445946e+00 3.10 -2.790929764e+00 3.12 -2.724360338e+00 3.14 -2.658815103e+00 3.16 -2.594366158e+00 3.18 -2.531080740e+00 3.20 -2.469021654e+00 3.22 -2.408247689e+00 3.24 -2.348813984e+00 3.26 -2.290772367e+00 3.28 -2.234171648e+00 3.30 -2.179057863e+00 3.32 -2.125474467e+00 3.34 -2.073462459e+00 3.36 -2.023060437e+00 3.38 -1.974304558e+00 3.40 -1.927228405e+00 3.42 -1.881862732e+00 3.44 -1.838235068e+00 3.46 -1.796369178e+00 3.48 -1.756284344e+00 3.50 -1.717994464e+00 3.52 -1.681506956e+00 3.54 -1.646821460e+00 3.56 -1.613928358e+00 3.58 -1.582807125e+00 3.60 -1.553424570e+00 3.62 -1.525733029e+00 3.64 -1.499668629e+00 3.66 -1.475149730e+00 3.68 -1.452075740e+00 3.70 -1.430326458e+00 3.72 -1.409762166e+00 3.74 -1.390224643e+00 3.76 -1.371539256e+00 3.78 -1.353518235e+00 3.80 -1.335965117e+00 3.82 -1.318680266e+00 3.84 -1.301467223e+00 3.86 -1.284139543e+00 3.88 -1.266527660e+00 3.90 -1.248485272e+00 3.92 -1.229894740e+00 3.94 -1.210671064e+00 3.96 -1.190764093e+00 3.98 -1.170158807e+00 4.00 -1.148873693e+00 4.02 -1.126957378e+00 4.04 -1.104483880e+00 4.06 -1.081546884e+00 4.08 -1.058253531e+00 4.10 -1.034718204e+00 4.12 -1.011056715e+00 4.14 -9.873812351e-01 4.16 -9.637962045e-01 4.18 -9.403953261e-01 4.20 -9.172596718e-01 4.22 -8.944568173e-01 4.24 -8.720408731e-01 4.26 -8.496788192e-01 4.28 -8.199433846e-01 4.30 -7.632613937e-01 4.32 -6.763383934e-01 4.34 -6.402800143e-01 4.36 -6.248293375e-01 4.38 -6.097437176e-01 4.40 -5.950201619e-01 4.42 -5.806538091e-01 4.44 -5.666385848e-01 4.46 -5.529676748e-01 4.48 -5.396338531e-01 4.50 -5.266296989e-01 4.52 -5.139477350e-01 4.54 -5.015805114e-01 4.56 -4.895206550e-01 4.58 -4.777608963e-01 4.60 -4.662940844e-01 4.62 -4.551131951e-01 4.64 -4.442113338e-01 4.66 -4.335817381e-01 4.68 -4.232177777e-01 4.70 -4.131129551e-01 4.72 -4.032609049e-01 4.74 -3.936553934e-01 4.76 -3.842903176e-01 4.78 -3.751597048e-01 4.80 -3.662577111e-01 4.82 -3.575786203e-01 4.84 -3.491168427e-01 4.86 -3.408669135e-01 4.88 -3.328234917e-01 4.90 -3.249813579e-01 4.92 -3.164430846e-01 4.94 -2.960615085e-01 4.96 -2.369506795e-01 4.98 -1.161414880e-01 5.00 -6.239686179e-23 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