# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--ipr1 # composition = CH3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 2.593975700e+02 nan nan 0.66 2.357169071e+02 nan nan 0.68 2.141434971e+02 nan nan 0.70 1.944812026e+02 2.844532645e+02 nan 0.72 1.765542965e+02 2.605372638e+02 3.288408712e+02 0.74 1.602049578e+02 2.385723431e+02 3.038613162e+02 0.76 1.452911632e+02 2.183924871e+02 2.807316762e+02 0.78 1.316849212e+02 1.998477982e+02 2.593081044e+02 0.80 1.192705878e+02 1.828024044e+02 2.394596086e+02 0.82 1.079434784e+02 1.671328402e+02 2.210665476e+02 0.84 9.760868886e+01 1.527267192e+02 2.040194386e+02 0.86 8.818006635e+01 1.394815769e+02 1.882179201e+02 0.88 7.957930647e+01 1.273038601e+02 1.735698454e+02 0.90 7.173515962e+01 1.161080394e+02 1.599904870e+02 0.92 6.458273026e+01 1.058158270e+02 1.474018348e+02 0.94 5.806285652e+01 9.635548621e+01 1.357319769e+02 0.96 5.212155933e+01 8.766121765e+01 1.249145488e+02 0.98 4.670955190e+01 7.967261412e+01 1.148882439e+02 1.00 4.178180181e+01 7.233417358e+01 1.055963756e+02 1.02 3.729713923e+01 6.559486351e+01 9.698648511e+01 1.04 3.321790552e+01 5.940772993e+01 8.900998944e+01 1.06 2.950963744e+01 5.372954582e+01 8.162186384e+01 1.08 2.614078282e+01 4.852049411e+01 7.478035515e+01 1.10 2.308244409e+01 4.374388125e+01 6.844672224e+01 1.12 2.030814652e+01 3.936587797e+01 6.258500045e+01 1.14 1.779362849e+01 3.535528408e+01 5.716178747e+01 1.16 1.551665144e+01 3.168331479e+01 5.214604805e+01 1.18 1.345682731e+01 2.832340624e+01 4.750893595e+01 1.20 1.159546189e+01 2.525103822e+01 4.322363084e+01 1.22 9.915412129e+00 2.244357234e+01 3.926518913e+01 1.24 8.400956306e+00 1.988010415e+01 3.561040693e+01 1.26 7.037675626e+00 1.754132773e+01 3.223769419e+01 1.28 5.812346165e+00 1.540941167e+01 2.912695897e+01 1.30 4.712840191e+00 1.346788530e+01 2.625950066e+01 1.32 3.728035963e+00 1.170153425e+01 2.361791166e+01 1.34 2.847735210e+00 1.009630441e+01 2.118598646e+01 1.36 2.062587600e+00 8.639213702e+00 1.894863769e+01 1.38 1.364021543e+00 7.318270713e+00 1.689181837e+01 1.40 7.441807694e-01 6.122399888e+00 1.500245000e+01 1.42 1.958661764e-01 5.041372481e+00 1.326835580e+01 1.44 -2.875175445e-01 4.065742897e+00 1.167819890e+01 1.46 -7.120108940e-01 3.186789930e+00 1.022142489e+01 1.48 -1.083144556e+00 2.396462509e+00 8.888208484e+00 1.50 -1.405980735e+00 1.687329567e+00 7.669403969e+00 1.52 -1.685151146e+00 1.052533711e+00 6.556499096e+00 1.54 -1.924891946e+00 4.857483795e-01 5.541572201e+00 1.56 -2.129075858e+00 -1.886178900e-02 4.617252291e+00 1.58 -2.301241726e+00 -4.666776247e-01 3.776681868e+00 1.60 -2.444621705e+00 -8.626593719e-01 3.013482299e+00 1.62 -2.562166297e+00 -1.211378119e+00 2.321721542e+00 1.64 -2.656567385e+00 -1.517044906e+00 1.695884061e+00 1.66 -2.730279454e+00 -1.783537695e+00 1.130842763e+00 1.68 -2.785539127e+00 -2.014426358e+00 6.218328260e-01 1.70 -2.824383159e+00 -2.212995840e+00 1.644272804e-01 1.72 -2.848665020e+00 -2.382267630e+00 -2.454857871e-01 1.74 -2.860070169e+00 -2.525019682e+00 -6.117245062e-01 1.76 -2.860130132e+00 -2.643804884e+00 -9.378330875e-01 1.78 -2.850235485e+00 -2.740968201e+00 -1.227100371e+00 1.80 -2.831647820e+00 -2.818662594e+00 -1.482577150e+00 1.82 -2.805510794e+00 -2.878863807e+00 -1.707092351e+00 1.84 -2.772860325e+00 -2.923384107e+00 -1.903268153e+00 1.86 -2.734634020e+00 -2.953885088e+00 -2.073534108e+00 1.88 -2.691679899e+00 -2.971889594e+00 -2.220140340e+00 1.90 -2.644764494e+00 -2.978792869e+00 -2.345169878e+00 1.92 -2.594580369e+00 -2.975873015e+00 -2.450550179e+00 1.94 -2.541753165e+00 -2.964300847e+00 -2.538063908e+00 1.96 -2.486848212e+00 -2.945149272e+00 -2.609359004e+00 1.98 -2.430376810e+00 -2.919402303e+00 -2.665958101e+00 2.00 -2.372802270e+00 -2.887963923e+00 -2.709267333e+00 2.02 -2.314545836e+00 -2.851667026e+00 -2.740584576e+00 2.04 -2.255992657e+00 -2.811282879e+00 -2.761107154e+00 2.06 -2.197498035e+00 -2.767531774e+00 -2.771939007e+00 2.08 -2.139394293e+00 -2.721096120e+00 -2.774093107e+00 2.10 -2.081998819e+00 -2.672638391e+00 -2.768489010e+00 2.12 -2.025624188e+00 -2.622829079e+00 -2.755999289e+00 2.14 -1.970591991e+00 -2.572396785e+00 -2.737473311e+00 2.16 -1.917253389e+00 -2.522233624e+00 -2.713599682e+00 2.18 -1.866022507e+00 -2.473667003e+00 -2.685050478e+00 2.20 -1.817436206e+00 -2.429420629e+00 -2.652444525e+00 2.22 -1.772273670e+00 -2.400995292e+00 -2.616351583e+00 2.24 -1.731833094e+00 -2.385278824e+00 -2.577296755e+00 2.26 -1.698724454e+00 -2.314669635e+00 -2.535764810e+00 2.28 -1.680215049e+00 -2.243543621e+00 -2.492204509e+00 2.30 -1.771344702e+00 -2.173060114e+00 -2.447033051e+00 2.32 -1.701683574e+00 -2.103715733e+00 -2.400640801e+00 2.34 -1.628439880e+00 -2.035818756e+00 -2.353396554e+00 2.36 -1.555624469e+00 -1.969596832e+00 -2.305653726e+00 2.38 -1.484398935e+00 -1.905238406e+00 -2.257758121e+00 2.40 -1.412887843e+00 -1.842915700e+00 -2.210058383e+00 2.42 -1.333450535e+00 -1.782802994e+00 -2.162921159e+00 2.44 -1.244280089e+00 -1.725097098e+00 -2.116754879e+00 2.46 -1.178022980e+00 -1.670047210e+00 -2.072050371e+00 2.48 -1.121390185e+00 -1.618007607e+00 -2.029457218e+00 2.50 -1.067049396e+00 -1.569546797e+00 -1.989945733e+00 2.52 -1.014963518e+00 -1.525645920e+00 -1.955212724e+00 2.54 -9.650848740e-01 -1.480267083e+00 -1.929007794e+00 2.56 -9.173584958e-01 -1.401031461e+00 -1.924803541e+00 2.58 -8.717244063e-01 -1.265502226e+00 -1.981164867e+00 2.60 -8.280891139e-01 -1.075093346e+00 -1.912948009e+00 2.62 -7.771817566e-01 -1.030927552e+00 -1.842591924e+00 2.64 -6.633127655e-01 -9.873547072e-01 -1.772667715e+00 2.66 -4.074047934e-01 -9.448466141e-01 -1.703945520e+00 2.68 -1.549046923e-02 -9.036019994e-01 -1.636780428e+00 2.70 1.041223865e-03 -8.637135822e-01 -1.571363478e+00 2.72 8.967704168e-04 -8.252221852e-01 -1.507803211e+00 2.74 7.692929213e-04 -7.881395832e-01 -1.446160289e+00 2.76 6.571146764e-04 -7.524598482e-01 -1.386464841e+00 2.78 5.587006847e-04 -7.181656480e-01 -1.328726218e+00 2.80 4.726477391e-04 -6.852320401e-01 -1.272938964e+00 2.82 3.976749735e-04 -6.536289046e-01 -1.219086729e+00 2.84 3.326148918e-04 -6.233225832e-01 -1.167144976e+00 2.86 2.764048775e-04 -5.942770258e-01 -1.117082923e+00 2.88 2.280791838e-04 -5.664546187e-01 -1.068865003e+00 2.90 1.867613960e-04 -5.398167976e-01 -1.022451974e+00 2.92 1.511724416e-04 -5.128253996e-01 -9.751521331e-01 2.94 1.158796428e-04 -4.672787087e-01 -8.945463320e-01 2.96 7.370340280e-05 -3.619371215e-01 -7.048722635e-01 2.98 2.676474169e-05 -1.686888921e-01 -3.435433871e-01 3.00 -2.122432898e-24 -1.509386868e-23 -9.521854146e-24 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00