# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = Cd3S # 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 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 2.207197941e+04 nan nan 0.82 1.900484738e+04 nan nan 0.84 1.643502941e+04 nan nan 0.86 1.426797447e+04 2.422653754e+04 nan 0.88 1.242681576e+04 2.110498467e+04 2.499928483e+04 0.90 1.085189771e+04 1.841805851e+04 2.182995747e+04 0.92 9.500886164e+03 1.610129473e+04 1.911816554e+04 0.94 8.337383420e+03 1.410687157e+04 1.679315594e+04 0.96 7.333187034e+03 1.239017966e+04 1.479549749e+04 0.98 6.465828357e+03 1.091551036e+04 1.307674672e+04 1.00 5.713807376e+03 9.655338336e+03 1.158812213e+04 1.02 5.059234336e+03 8.579982871e+03 1.028516477e+04 1.04 4.489107333e+03 7.654344600e+03 9.138701310e+03 1.06 3.991478693e+03 6.842784048e+03 8.129848378e+03 1.08 3.554225003e+03 6.119256440e+03 7.241336303e+03 1.10 3.167091181e+03 5.470896535e+03 6.457263582e+03 1.12 2.823602297e+03 4.891193164e+03 5.764963758e+03 1.14 2.519364371e+03 4.375017204e+03 5.155190574e+03 1.16 2.250226294e+03 3.917016492e+03 4.619427489e+03 1.18 2.012044931e+03 3.510881218e+03 4.148303009e+03 1.20 1.801089701e+03 3.149734368e+03 3.731768945e+03 1.22 1.614488544e+03 2.827388157e+03 3.360859922e+03 1.24 1.450092537e+03 2.539615360e+03 3.029678633e+03 1.26 1.305983102e+03 2.283804150e+03 2.735006166e+03 1.28 1.180122369e+03 2.057716030e+03 2.474358686e+03 1.30 1.070113017e+03 1.859062860e+03 2.244996997e+03 1.32 9.731546591e+02 1.685356687e+03 2.043502125e+03 1.34 8.863265386e+02 1.533824342e+03 1.865648980e+03 1.36 8.072041773e+02 1.401451199e+03 1.706782993e+03 1.38 7.344058154e+02 1.285063157e+03 1.562712808e+03 1.40 6.674380431e+02 1.181462124e+03 1.430657059e+03 1.42 6.061387989e+02 1.087717543e+03 1.309257646e+03 1.44 5.503971099e+02 1.001521534e+03 1.197778813e+03 1.46 5.000542993e+02 9.213320812e+02 1.095704515e+03 1.48 4.548666736e+02 8.462870090e+02 1.002624286e+03 1.50 4.144876822e+02 7.759689433e+02 9.181037923e+02 1.52 3.784575527e+02 7.101538792e+02 8.416071068e+02 1.54 3.462094987e+02 6.487079060e+02 7.724817564e+02 1.56 3.171089540e+02 5.915339702e+02 7.099661357e+02 1.58 2.905395170e+02 5.385339071e+02 6.532126893e+02 1.60 2.660186140e+02 4.895952006e+02 6.013395315e+02 1.62 2.432652011e+02 4.445940010e+02 5.535261320e+02 1.64 2.221458827e+02 4.034015182e+02 5.091358423e+02 1.66 2.025780922e+02 3.658888075e+02 4.677797465e+02 1.68 1.844936311e+02 3.319265325e+02 4.292477972e+02 1.70 1.678336574e+02 3.013781720e+02 3.934002433e+02 1.72 1.525472583e+02 2.740888324e+02 3.601295204e+02 1.74 1.385877304e+02 2.498734784e+02 3.293482081e+02 1.76 1.259066357e+02 2.285088375e+02 3.009724305e+02 1.78 1.144493733e+02 2.097328687e+02 2.749093908e+02 1.80 1.041538242e+02 1.932519651e+02 2.510541923e+02 1.82 9.495045477e+01 1.787545087e+02 2.292915096e+02 1.84 8.676284693e+01 1.659269043e+02 2.094988792e+02 1.86 7.950854157e+01 1.544655336e+02 1.915510895e+02 1.88 7.310012201e+01 1.440867372e+02 1.753251049e+02 1.90 6.744636374e+01 1.345483306e+02 1.607044350e+02 1.92 6.245325269e+01 1.256764143e+02 1.475813261e+02 1.94 5.802492689e+01 1.173689832e+02 1.358554211e+02 1.96 5.406524479e+01 1.095692450e+02 1.254288849e+02 1.98 5.048124445e+01 1.022393561e+02 1.161996715e+02 2.00 4.718923261e+01 9.535282114e+01 1.080549216e+02 2.02 4.412248890e+01 8.889215204e+01 1.008666087e+02 2.04 4.123694310e+01 8.284487439e+01 9.449213738e+01 2.06 3.850951426e+01 7.719944930e+01 8.878095079e+01 2.08 3.592889008e+01 7.194306101e+01 8.358671894e+01 2.10 3.348683972e+01 6.706101117e+01 7.878317781e+01 2.12 3.117498717e+01 6.253655923e+01 7.427751235e+01 2.14 2.898440899e+01 5.835082582e+01 7.001231033e+01 2.16 2.690586920e+01 5.448276750e+01 6.595406445e+01 2.18 2.493020855e+01 5.090925738e+01 6.208039356e+01 2.20 2.304884970e+01 4.760530670e+01 5.837571106e+01 2.22 2.125436262e+01 4.454447096e+01 5.483045701e+01 2.24 1.954096016e+01 4.169947025e+01 5.143955886e+01 2.26 1.790473346e+01 3.904304358e+01 4.820028578e+01 2.28 1.634346369e+01 3.654900118e+01 4.511055763e+01 2.30 1.485603516e+01 3.419338593e+01 4.216822597e+01 2.32 1.344176396e+01 3.195556817e+01 3.937093215e+01 2.34 1.210001326e+01 2.981903965e+01 3.671606642e+01 2.36 1.083011381e+01 2.777169254e+01 3.420072386e+01 2.38 9.631363430e+00 2.580551099e+01 3.182166199e+01 2.40 8.503016808e+00 2.391581817e+01 2.957526184e+01 2.42 7.444272185e+00 2.210032677e+01 2.745749442e+01 2.44 6.454258388e+00 2.035815883e+01 2.546389585e+01 2.46 5.532021878e+00 1.868899791e+01 2.358955318e+01 2.48 4.676514265e+00 1.709261794e+01 2.182910529e+01 2.50 3.886580176e+00 1.556877538e+01 2.017676280e+01 2.52 3.160945761e+00 1.411720737e+01 1.862635162e+01 2.54 2.498207877e+00 1.273762228e+01 1.717138469e+01 2.56 1.896824155e+00 1.142968577e+01 1.580516550e+01 2.58 1.355104204e+00 1.019300662e+01 1.452092529e+01 2.60 8.712021193e-01 9.027122006e+00 1.331199198e+01 2.62 4.431105998e-01 7.931482595e+00 1.217198368e+01 2.64 6.865693652e-02 6.905437348e+00 1.109501256e+01 2.66 -2.544987982e-01 5.948218206e+00 1.007587493e+01 2.68 -5.288630650e-01 5.058924685e+00 9.110200761e+00 2.70 -7.571053239e-01 4.236508909e+00 8.194529735e+00 2.72 -9.420513330e-01 3.479760465e+00 7.326296898e+00 2.74 -1.086672962e+00 2.787292415e+00 6.503728382e+00 2.76 -1.194074243e+00 2.157528180e+00 5.725676997e+00 2.78 -1.267473427e+00 1.588689766e+00 4.991435466e+00 2.80 -1.310180902e+00 1.078788146e+00 4.300554977e+00 2.82 -1.325572928e+00 6.256159329e-01 3.652682253e+00 2.84 -1.317061289e+00 2.267439643e-01 3.047443811e+00 2.86 -1.288059128e+00 -1.204784115e-01 2.484400543e+00 2.88 -1.241943445e+00 -4.189175558e-01 1.963046300e+00 2.90 -1.182014973e+00 -6.716434692e-01 1.482809488e+00 2.92 -1.111456409e+00 -8.819101656e-01 1.043048127e+00 2.94 -1.033290255e+00 -1.053127233e+00 6.430433517e-01 2.96 -9.503378047e-01 -1.188821360e+00 2.819929884e-01 2.98 -8.651810285e-01 -1.292586818e+00 -4.099460341e-02 3.00 -7.801292788e-01 -1.368024343e+00 -3.269063349e-01 3.02 -6.971927278e-01 -1.418668757e+00 -5.768297173e-01 3.04 -6.180642001e-01 -1.447907166e+00 -7.919575804e-01 3.06 -5.441104411e-01 -1.458891927e+00 -9.735920306e-01 3.08 -4.763727583e-01 -1.454455934e+00 -1.123147447e+00 3.10 -4.155753371e-01 -1.437041968e+00 -1.242152378e+00 3.12 -3.621376010e-01 -1.408661966e+00 -1.332250045e+00 3.14 -3.161854823e-01 -1.370903716e+00 -1.395197267e+00 3.16 -2.775569291e-01 -1.324997416e+00 -1.432861561e+00 3.18 -2.458014561e-01 -1.271937806e+00 -1.447216094e+00 3.20 -2.201831167e-01 -1.212628959e+00 -1.440332305e+00 3.22 -1.997076385e-01 -1.147993450e+00 -1.414369867e+00 3.24 -1.831978556e-01 -1.078999493e+00 -1.371563766e+00 3.26 -1.694269273e-01 -1.006623962e+00 -1.314208299e+00 3.28 -1.572890117e-01 -9.318191823e-01 -1.244637796e+00 3.30 -1.459565306e-01 -8.555130012e-01 -1.165204014e+00 3.32 -1.349568318e-01 -7.786215370e-01 -1.078250175e+00 3.34 -1.241245679e-01 -7.020580283e-01 -9.860818375e-01 3.36 -1.134660744e-01 -6.267320820e-01 -8.909348591e-01 3.38 -1.030398869e-01 -5.535371235e-01 -7.949409563e-01 3.40 -9.290933408e-02 -4.833275871e-01 -7.000915485e-01 3.42 -8.313488690e-02 -4.168910779e-01 -6.082008325e-01 3.44 -7.377326421e-02 -3.549215035e-01 -5.208692513e-01 3.46 -6.487677008e-02 -2.979960383e-01 -4.394488141e-01 3.48 -5.649258123e-02 -2.465553007e-01 -3.650119890e-01 3.50 -4.866199171e-02 -2.008859450e-01 -2.983261967e-01 3.52 -4.141962758e-02 -1.611065197e-01 -2.398363030e-01 3.54 -3.479265003e-02 -1.271585817e-01 -1.896579353e-01 3.56 -2.879997281e-02 -9.880572471e-02 -1.475849512e-01 3.58 -2.345152821e-02 -7.564367076e-02 -1.131148061e-01 3.60 -1.874762670e-02 -5.712465336e-02 -8.549552745e-02 3.62 -1.467846643e-02 -4.259839425e-02 -6.379667998e-02 3.64 -1.122386158e-02 -3.136921009e-02 -4.700287204e-02 3.66 -8.353269365e-03 -2.276345235e-02 -3.412080706e-02 3.68 -6.026204198e-03 -1.619399307e-02 -2.428008417e-02 3.70 -4.193127786e-03 -1.120217590e-02 -1.679876881e-02 3.72 -2.796892864e-03 -7.459938554e-03 -1.118823027e-02 3.74 -1.774786920e-03 -4.732694056e-03 -7.098485198e-03 3.76 -1.061164504e-03 -2.829733593e-03 -4.244440620e-03 3.78 -5.905663165e-04 -1.574834135e-03 -2.362212529e-03 3.80 -3.011011207e-04 -8.029344821e-04 -1.204394134e-03 3.82 -1.377267662e-04 -3.672710981e-04 -5.509054989e-04 3.84 -5.494539435e-05 -1.465210213e-04 -2.197814067e-04 3.86 -1.838800245e-05 -4.903467103e-05 -7.355199759e-05 3.88 -4.884299026e-06 -1.302479731e-05 -1.953719560e-05 3.90 -9.493523031e-07 -2.531606140e-06 -3.797409203e-06 3.92 -1.192124060e-07 -3.178997493e-07 -4.768496239e-07 3.94 -7.910632082e-09 -2.109501889e-08 -3.164252833e-08 3.96 -1.961464197e-10 -5.230571191e-10 -7.845856786e-10 3.98 -9.456071312e-13 -2.521619016e-12 -3.782428525e-12 4.00 -2.195200707e-16 -5.853868552e-16 -8.780802828e-16 4.02 -6.631785114e-23 -1.768476030e-22 -2.652714045e-22 4.04 -5.259862584e-38 -1.402630022e-37 -2.103945034e-37 4.06 -3.424981933e-111 -9.133285155e-111 -1.369992773e-110 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