# 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 = 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 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 1.426797542e+04 nan nan 0.88 1.242681657e+04 nan nan 0.90 1.085189843e+04 nan nan 0.92 9.500886791e+03 nan nan 0.94 8.337383969e+03 1.410687253e+04 nan 0.96 7.333187515e+03 1.239018050e+04 1.479549857e+04 0.98 6.465828778e+03 1.091551109e+04 1.307674764e+04 1.00 5.713807749e+03 9.655338982e+03 1.158812298e+04 1.02 5.059234666e+03 8.579983444e+03 1.028516549e+04 1.04 4.489107624e+03 7.654345109e+03 9.138701950e+03 1.06 3.991478951e+03 6.842784502e+03 8.129848947e+03 1.08 3.554225231e+03 6.119256848e+03 7.241336809e+03 1.10 3.167091385e+03 5.470896900e+03 6.457264004e+03 1.12 2.823602478e+03 4.891193484e+03 5.764964149e+03 1.14 2.519364533e+03 4.375017489e+03 5.155190937e+03 1.16 2.250226438e+03 3.917016759e+03 4.619427825e+03 1.18 2.012045059e+03 3.510881455e+03 4.148303280e+03 1.20 1.801089816e+03 3.149734574e+03 3.731769218e+03 1.22 1.614488647e+03 2.827388342e+03 3.360860160e+03 1.24 1.450092630e+03 2.539615526e+03 3.029678848e+03 1.26 1.305983184e+03 2.283804300e+03 2.735006373e+03 1.28 1.180122444e+03 2.057716164e+03 2.474358862e+03 1.30 1.070113085e+03 1.859062981e+03 2.244997162e+03 1.32 9.731547213e+02 1.685356797e+03 2.043502267e+03 1.34 8.863265953e+02 1.533824441e+03 1.865649109e+03 1.36 8.072042291e+02 1.401451289e+03 1.706783111e+03 1.38 7.344058626e+02 1.285063239e+03 1.562712920e+03 1.40 6.674380862e+02 1.181462205e+03 1.430657162e+03 1.42 6.061388381e+02 1.087717613e+03 1.309257740e+03 1.44 5.503971456e+02 1.001521600e+03 1.197778900e+03 1.46 5.000543318e+02 9.213321409e+02 1.095704594e+03 1.48 4.548667033e+02 8.462870648e+02 1.002624358e+03 1.50 4.144877093e+02 7.759689945e+02 9.181038583e+02 1.52 3.784575775e+02 7.101539262e+02 8.416071673e+02 1.54 3.462095211e+02 6.487079489e+02 7.724818105e+02 1.56 3.171089746e+02 5.915340095e+02 7.099661853e+02 1.58 2.905395360e+02 5.385339428e+02 6.532127350e+02 1.60 2.660186313e+02 4.895952320e+02 6.013395736e+02 1.62 2.432652170e+02 4.445940295e+02 5.535261707e+02 1.64 2.221458973e+02 4.034015448e+02 5.091358779e+02 1.66 2.025781055e+02 3.658888317e+02 4.677797792e+02 1.68 1.844936433e+02 3.319265539e+02 4.292478271e+02 1.70 1.678336687e+02 3.013781914e+02 3.934002708e+02 1.72 1.525472686e+02 2.740888501e+02 3.601295455e+02 1.74 1.385877397e+02 2.498734951e+02 3.293482306e+02 1.76 1.259066442e+02 2.285088528e+02 3.009724511e+02 1.78 1.144493810e+02 2.097328827e+02 2.749094095e+02 1.80 1.041538312e+02 1.932519781e+02 2.510542099e+02 1.82 9.495046120e+01 1.787545207e+02 2.292915253e+02 1.84 8.676285282e+01 1.659269154e+02 2.094988942e+02 1.86 7.950854698e+01 1.544655440e+02 1.915511029e+02 1.88 7.310012698e+01 1.440867469e+02 1.753251173e+02 1.90 6.744636834e+01 1.345483397e+02 1.607044460e+02 1.92 6.245325696e+01 1.256764228e+02 1.475813363e+02 1.94 5.802493087e+01 1.173689912e+02 1.358554305e+02 1.96 5.406524856e+01 1.095692525e+02 1.254288936e+02 1.98 5.048124795e+01 1.022393630e+02 1.161996797e+02 2.00 4.718923591e+01 9.535282767e+01 1.080549292e+02 2.02 4.412249201e+01 8.889215813e+01 1.008666158e+02 2.04 4.123694603e+01 8.284488003e+01 9.449214407e+01 2.06 3.850951702e+01 7.719945460e+01 8.878095709e+01 2.08 3.592889268e+01 7.194306593e+01 8.358672490e+01 2.10 3.348684217e+01 6.706101579e+01 7.878318344e+01 2.12 3.117498948e+01 6.253656355e+01 7.427751767e+01 2.14 2.898441117e+01 5.835082978e+01 7.001231536e+01 2.16 2.690587123e+01 5.448277126e+01 6.595406921e+01 2.18 2.493021047e+01 5.090926086e+01 6.208039807e+01 2.20 2.304885150e+01 4.760531002e+01 5.837571525e+01 2.22 2.125436432e+01 4.454447387e+01 5.483046101e+01 2.24 1.954096174e+01 4.169947314e+01 5.143956261e+01 2.26 1.790473495e+01 3.904304637e+01 4.820028935e+01 2.28 1.634346508e+01 3.654900378e+01 4.511056091e+01 2.30 1.485603646e+01 3.419338838e+01 4.216822902e+01 2.32 1.344176516e+01 3.195557049e+01 3.937093503e+01 2.34 1.210001437e+01 2.981904185e+01 3.671606910e+01 2.36 1.083011485e+01 2.777169462e+01 3.420072638e+01 2.38 9.631364397e+00 2.580551296e+01 3.182166437e+01 2.40 8.503017683e+00 2.391582003e+01 2.957526403e+01 2.42 7.444272992e+00 2.210032853e+01 2.745749646e+01 2.44 6.454259130e+00 2.035816048e+01 2.546389775e+01 2.46 5.532022563e+00 1.868899946e+01 2.358955495e+01 2.48 4.676514887e+00 1.709261939e+01 2.182910694e+01 2.50 3.886580739e+00 1.556877673e+01 2.017676434e+01 2.52 3.160946269e+00 1.411720864e+01 1.862635306e+01 2.54 2.498208330e+00 1.273762344e+01 1.717138603e+01 2.56 1.896824559e+00 1.142968685e+01 1.580516675e+01 2.58 1.355104562e+00 1.019300762e+01 1.452092646e+01 2.60 8.712024364e-01 9.027122928e+00 1.331199307e+01 2.62 4.431108776e-01 7.931483444e+00 1.217198477e+01 2.64 6.865717943e-02 6.905438127e+00 1.109501354e+01 2.66 -2.544985872e-01 5.948218918e+00 1.007587589e+01 2.68 -5.288628828e-01 5.058925391e+00 9.110201621e+00 2.70 -7.571051678e-01 4.236509558e+00 8.194530537e+00 2.72 -9.420512003e-01 3.479761048e+00 7.326297619e+00 2.74 -1.086672850e+00 2.787292950e+00 6.503729079e+00 2.76 -1.194074150e+00 2.157528664e+00 5.725677620e+00 2.78 -1.267473349e+00 1.588690206e+00 4.991436066e+00 2.80 -1.310180838e+00 1.078788491e+00 4.300555554e+00 2.82 -1.325572877e+00 6.256162392e-01 3.652682763e+00 2.84 -1.317061248e+00 2.267442354e-01 3.047444274e+00 2.86 -1.288059096e+00 -1.204781725e-01 2.484400967e+00 2.88 -1.241943420e+00 -4.189173460e-01 1.963046688e+00 2.90 -1.182014954e+00 -6.716432857e-01 1.482809840e+00 2.92 -1.111456395e+00 -8.819100057e-01 1.043048446e+00 2.94 -1.033290245e+00 -1.053127094e+00 6.430436394e-01 2.96 -9.503377978e-01 -1.188821240e+00 2.819932468e-01 2.98 -8.651810240e-01 -1.292586714e+00 -4.099437232e-02 3.00 -7.801292760e-01 -1.368024254e+00 -3.269061293e-01 3.02 -6.971927264e-01 -1.418668681e+00 -5.768295353e-01 3.04 -6.180641997e-01 -1.447907101e+00 -7.919574202e-01 3.06 -5.441104413e-01 -1.458891871e+00 -9.735918867e-01 3.08 -4.763727588e-01 -1.454455886e+00 -1.123147322e+00 3.10 -4.155753379e-01 -1.437041927e+00 -1.242152270e+00 3.12 -3.621376020e-01 -1.408661932e+00 -1.332249952e+00 3.14 -3.161854833e-01 -1.370903687e+00 -1.395197191e+00 3.16 -2.775569300e-01 -1.324997391e+00 -1.432861497e+00 3.18 -2.458014570e-01 -1.271937785e+00 -1.447216041e+00 3.20 -2.201831175e-01 -1.212628942e+00 -1.440332261e+00 3.22 -1.997076392e-01 -1.147993437e+00 -1.414369829e+00 3.24 -1.831978562e-01 -1.078999482e+00 -1.371563735e+00 3.26 -1.694269278e-01 -1.006623953e+00 -1.314208275e+00 3.28 -1.572890121e-01 -9.318191755e-01 -1.244637779e+00 3.30 -1.459565309e-01 -8.555129960e-01 -1.165204000e+00 3.32 -1.349568321e-01 -7.786215330e-01 -1.078250164e+00 3.34 -1.241245681e-01 -7.020580253e-01 -9.860818292e-01 3.36 -1.134660745e-01 -6.267320798e-01 -8.909348535e-01 3.38 -1.030398870e-01 -5.535371219e-01 -7.949409519e-01 3.40 -9.290933418e-02 -4.833275860e-01 -7.000915456e-01 3.42 -8.313488697e-02 -4.168910771e-01 -6.082008305e-01 3.44 -7.377326426e-02 -3.549215030e-01 -5.208692498e-01 3.46 -6.487677011e-02 -2.979960380e-01 -4.394488132e-01 3.48 -5.649258125e-02 -2.465553005e-01 -3.650119884e-01 3.50 -4.866199173e-02 -2.008859449e-01 -2.983261963e-01 3.52 -4.141962759e-02 -1.611065196e-01 -2.398363028e-01 3.54 -3.479265004e-02 -1.271585816e-01 -1.896579352e-01 3.56 -2.879997281e-02 -9.880572469e-02 -1.475849511e-01 3.58 -2.345152821e-02 -7.564367075e-02 -1.131148061e-01 3.60 -1.874762670e-02 -5.712465335e-02 -8.549552743e-02 3.62 -1.467846643e-02 -4.259839425e-02 -6.379667997e-02 3.64 -1.122386158e-02 -3.136921009e-02 -4.700287203e-02 3.66 -8.353269366e-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 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