# 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 = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = Hg3Zn # 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 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 8.010715877e+03 nan nan 0.88 6.982181562e+03 nan nan 0.90 6.105717889e+03 nan nan 0.92 5.356543213e+03 nan nan 0.94 4.714090819e+03 7.915305518e+03 nan 0.96 4.160876714e+03 6.975254828e+03 8.259646854e+03 0.98 3.682753742e+03 6.164786030e+03 7.313805966e+03 1.00 3.267883732e+03 5.465286597e+03 6.496534530e+03 1.02 2.905650749e+03 4.860897661e+03 5.786290210e+03 1.04 2.587592113e+03 4.336916568e+03 5.163882071e+03 1.06 2.307646014e+03 3.879366977e+03 4.614903481e+03 1.08 2.060837684e+03 3.475877669e+03 4.129335115e+03 1.10 1.842671315e+03 3.117045796e+03 3.699338147e+03 1.12 1.649493045e+03 2.796940647e+03 3.318260688e+03 1.14 1.478604956e+03 2.511718002e+03 2.980422305e+03 1.16 1.327709079e+03 2.258100154e+03 2.680861368e+03 1.18 1.194459365e+03 2.032877441e+03 2.415002922e+03 1.20 1.076512875e+03 1.832866317e+03 2.178565910e+03 1.22 9.717542132e+02 1.654961499e+03 1.967748053e+03 1.24 8.784738692e+02 1.496331695e+03 1.779381370e+03 1.26 7.953504841e+02 1.354648187e+03 1.610996433e+03 1.28 7.212509717e+02 1.228105860e+03 1.460727184e+03 1.30 6.550710711e+02 1.115196843e+03 1.326959488e+03 1.32 5.957036603e+02 1.014533790e+03 1.208035124e+03 1.34 5.420928287e+02 9.248318146e+02 1.102179231e+03 1.36 4.933284086e+02 8.449129837e+02 1.007556213e+03 1.38 4.487281002e+02 7.736366493e+02 9.223793946e+02 1.40 4.078663409e+02 7.098214817e+02 8.450730908e+02 1.42 3.705110120e+02 6.522634887e+02 7.744448251e+02 1.44 3.364975698e+02 5.998370746e+02 7.097355731e+02 1.46 3.056544928e+02 5.516134287e+02 6.504840859e+02 1.48 2.777894838e+02 5.069304248e+02 5.963418599e+02 1.50 2.526883675e+02 4.653773048e+02 5.469725331e+02 1.52 2.301161178e+02 4.267183807e+02 5.020307057e+02 1.54 2.098206663e+02 3.908032353e+02 4.611674020e+02 1.56 1.915407343e+02 3.575075471e+02 4.240336429e+02 1.58 1.750186786e+02 3.267107079e+02 3.902767511e+02 1.60 1.600178025e+02 2.982941640e+02 3.595351274e+02 1.62 1.463400094e+02 2.721452164e+02 3.314441763e+02 1.64 1.338353555e+02 2.481596805e+02 3.056577005e+02 1.66 1.223961821e+02 2.262408873e+02 2.818765579e+02 1.68 1.119411180e+02 2.062944718e+02 2.598713677e+02 1.70 1.024037281e+02 1.882219224e+02 2.394847007e+02 1.72 9.372749719e+01 1.719169200e+02 2.206097324e+02 1.74 8.586048600e+01 1.572646437e+02 2.031621179e+02 1.76 7.875050502e+01 1.441421752e+02 1.870616849e+02 1.78 7.234330364e+01 1.324194483e+02 1.722262556e+02 1.80 6.658275663e+01 1.219608765e+02 1.585720879e+02 1.82 6.141157069e+01 1.126278399e+02 1.460160919e+02 1.84 5.677221938e+01 1.042821026e+02 1.344786396e+02 1.86 5.260802284e+01 9.678992265e+01 1.238865104e+02 1.88 4.886418454e+01 9.002620294e+01 1.141751577e+02 1.90 4.548851275e+01 8.387797899e+01 1.052892103e+02 1.92 4.243163992e+01 7.824732760e+01 9.718043602e+01 1.94 3.964693830e+01 7.305426350e+01 8.980369961e+01 1.96 3.709078207e+01 6.823863628e+01 8.311302183e+01 1.98 3.472361783e+01 6.375875316e+01 7.705958815e+01 2.00 3.251149445e+01 5.958627821e+01 7.159140085e+01 2.02 3.042738693e+01 5.570017418e+01 6.665351046e+01 2.04 2.845175432e+01 5.208255407e+01 6.218857508e+01 2.06 2.657186799e+01 4.871680036e+01 5.813788002e+01 2.08 2.478005399e+01 4.558705817e+01 5.444297122e+01 2.10 2.307167938e+01 4.267795163e+01 5.104797873e+01 2.12 2.144356799e+01 3.997412891e+01 4.790248897e+01 2.14 1.989306029e+01 3.745986913e+01 4.496444016e+01 2.16 1.841769113e+01 3.511899070e+01 4.220208796e+01 2.18 1.701514531e+01 3.293502990e+01 3.959401484e+01 2.20 1.568324202e+01 3.089155694e+01 3.712694498e+01 2.22 1.441991851e+01 2.897259840e+01 3.479252027e+01 2.24 1.322321462e+01 2.716315975e+01 3.258462935e+01 2.26 1.209125821e+01 2.544980533e+01 3.049785848e+01 2.28 1.102225124e+01 2.382120623e+01 2.852689107e+01 2.30 1.001445667e+01 2.226852128e+01 2.666644023e+01 2.32 9.066186046e+00 2.078546059e+01 2.491130139e+01 2.34 8.175787668e+00 1.936794031e+01 2.325640523e+01 2.36 7.341635482e+00 1.801339750e+01 2.169686107e+01 2.38 6.562118558e+00 1.672003361e+01 2.022797547e+01 2.40 5.835631242e+00 1.548630358e+01 1.884523005e+01 2.42 5.160563968e+00 1.431073797e+01 1.754421549e+01 2.44 4.535294773e+00 1.319192627e+01 1.632054206e+01 2.46 3.958181564e+00 1.212851457e+01 1.516976910e+01 2.48 3.427555191e+00 1.111919699e+01 1.408738937e+01 2.50 2.941713393e+00 1.016270656e+01 1.306886523e+01 2.52 2.498915710e+00 9.257806521e+00 1.210968989e+01 2.54 2.097379432e+00 8.403281889e+00 1.120546133e+01 2.56 1.735276706e+00 7.597931381e+00 1.035196928e+01 2.58 1.410732898e+00 6.840559657e+00 9.545291970e+00 2.60 1.121826314e+00 6.129969897e+00 8.781894351e+00 2.62 8.665894125e-01 5.464956739e+00 8.058714749e+00 2.64 6.430115973e-01 4.844299589e+00 7.373222772e+00 2.66 4.490437096e-01 4.266756360e+00 6.723430406e+00 2.68 2.826042951e-01 3.731057664e+00 6.107843271e+00 2.70 1.415877217e-01 3.235901544e+00 5.525353403e+00 2.72 2.387418059e-02 2.779948790e+00 4.975097031e+00 2.74 -7.265842572e-02 2.361818936e+00 4.456320218e+00 2.76 -1.501207590e-01 1.980087037e+00 3.968293158e+00 2.78 -2.105965907e-01 1.633281318e+00 3.510281582e+00 2.80 -2.561257967e-01 1.319881831e+00 3.081547645e+00 2.82 -2.886860632e-01 1.038320244e+00 2.681352037e+00 2.84 -3.101736643e-01 7.869809095e-01 2.308951875e+00 2.86 -3.223837854e-01 5.642033512e-01 1.963597614e+00 2.88 -3.269909953e-01 3.682863389e-01 1.644530058e+00 2.90 -3.255306211e-01 1.974936871e-01 1.350977581e+00 2.92 -3.193819464e-01 5.006192882e-02 1.082153546e+00 2.94 -3.097543389e-01 -7.579001921e-02 8.372539675e-01 2.96 -2.976775959e-01 -1.818491153e-01 6.154554197e-01 2.98 -2.839979493e-01 -2.698943489e-01 4.159132296e-01 3.00 -2.693812232e-01 -3.416808520e-01 2.377599745e-01 3.02 -2.543244698e-01 -3.989221440e-01 8.010431955e-02 3.04 -2.391768632e-01 -4.432708555e-01 -5.796977361e-02 3.06 -2.241694888e-01 -4.762984910e-01 -1.774034297e-01 3.08 -2.094518040e-01 -4.994750786e-01 -2.791627985e-01 3.10 -1.951300424e-01 -5.141498878e-01 -3.642385096e-01 3.12 -1.813003577e-01 -5.215347833e-01 -4.336446069e-01 3.14 -1.680684816e-01 -5.226921484e-01 -4.884169223e-01 3.16 -1.555501159e-01 -5.185295695e-01 -5.296108560e-01 3.18 -1.438532517e-01 -5.098034333e-01 -5.582985304e-01 3.20 -1.330525230e-01 -4.971330070e-01 -5.755652905e-01 3.22 -1.231694555e-01 -4.810251696e-01 -5.825055330e-01 3.24 -1.141661812e-01 -4.619076243e-01 -5.802178543e-01 3.26 -1.059506442e-01 -4.401655017e-01 -5.697995202e-01 3.28 -9.838900241e-02 -4.161739923e-01 -5.523402751e-01 3.30 -9.132343782e-02 -3.903200173e-01 -5.289155249e-01 3.32 -8.459418949e-02 -3.630101699e-01 -5.005789502e-01 3.34 -7.806312819e-02 -3.346679191e-01 -4.683546253e-01 3.36 -7.163416010e-02 -3.057250758e-01 -4.332287449e-01 3.38 -6.526451822e-02 -2.766102493e-01 -3.961410860e-01 3.40 -5.896243451e-02 -2.477364486e-01 -3.579763557e-01 3.42 -5.277205799e-02 -2.194909188e-01 -3.195556029e-01 3.44 -4.675355734e-02 -1.922283206e-01 -2.816278926e-01 3.46 -4.096835251e-02 -1.662658568e-01 -2.448624646e-01 3.48 -3.547274484e-02 -1.418789875e-01 -2.098416104e-01 3.50 -3.031611185e-02 -1.192974128e-01 -1.770545203e-01 3.52 -2.554009302e-02 -9.870142590e-02 -1.468923616e-01 3.54 -2.117786482e-02 -8.021882553e-02 -1.196448630e-01 3.56 -1.725346787e-02 -6.392261592e-02 -9.549869620e-02 3.58 -1.378122975e-02 -4.982977684e-02 -7.453797326e-02 3.60 -1.076533849e-02 -3.790143743e-02 -5.674721353e-02 3.62 -8.199633637e-03 -2.804483782e-02 -4.201717024e-02 3.64 -6.067691296e-03 -2.011748624e-02 -3.015392920e-02 3.66 -4.343285282e-03 -1.393388559e-02 -2.089164898e-02 3.68 -2.991304578e-03 -9.275063520e-03 -1.390913955e-02 3.70 -1.969191538e-03 -5.900837401e-03 -8.850082232e-03 3.72 -1.228929947e-03 -3.564238388e-03 -5.346004001e-03 3.74 -7.195506254e-04 -2.026828437e-03 -3.040150372e-03 3.76 -3.900312580e-04 -1.072929797e-03 -1.609374465e-03 3.78 -1.923510938e-04 -5.204018380e-04 -7.805991857e-04 3.80 -8.433892396e-05 -2.260274443e-04 -3.390406870e-04 3.82 -3.186456757e-05 -8.506392873e-05 -1.275958478e-04 3.84 -9.931732119e-06 -2.648747504e-05 -3.973120987e-05 3.86 -2.399225797e-06 -6.397952470e-06 -9.596928618e-06 3.88 -4.094116414e-07 -1.091764381e-06 -1.637646570e-06 3.90 -4.272820115e-08 -1.139418697e-07 -1.709128046e-07 3.92 -2.152663574e-09 -5.740436197e-09 -8.610654295e-09 3.94 -3.448216569e-11 -9.195244185e-11 -1.379286628e-10 3.96 -7.793539088e-14 -2.078277090e-13 -3.117415635e-13 3.98 -4.033124535e-18 -1.075499876e-17 -1.613249814e-17 4.00 -2.972405702e-26 -7.926415206e-26 -1.188962281e-25 4.02 -1.302264461e-47 -3.472705230e-47 -5.209057845e-47 4.04 -1.605867775e-254 -4.282314067e-254 -6.423471102e-254 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 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