# 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 = Cd3Se # 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 1.442214218e+04 nan nan 0.88 1.255285136e+04 nan nan 0.90 1.096396193e+04 nan nan 0.92 9.603205226e+03 nan nan 0.94 8.431829915e+03 1.430047764e+04 nan 0.96 7.420600901e+03 1.256624896e+04 1.493493870e+04 0.98 6.544772791e+03 1.107135037e+04 1.318833067e+04 1.00 5.785330998e+03 9.781365775e+03 1.168185452e+04 1.02 5.125503241e+03 8.669102252e+03 1.037860006e+04 1.04 4.549365175e+03 7.712288142e+03 9.241645654e+03 1.06 4.044696831e+03 6.887214654e+03 8.239433629e+03 1.08 3.602745995e+03 6.168024606e+03 7.352234698e+03 1.10 3.215080513e+03 5.530636841e+03 6.567450890e+03 1.12 2.873202953e+03 4.958657250e+03 5.873351026e+03 1.14 2.570131542e+03 4.444578748e+03 5.258747460e+03 1.16 2.301184037e+03 3.984665653e+03 4.714210380e+03 1.18 2.062750441e+03 3.575226314e+03 4.232308540e+03 1.20 1.851235259e+03 3.211907619e+03 3.806270847e+03 1.22 1.663171869e+03 2.889632108e+03 3.429168966e+03 1.24 1.495627906e+03 2.602942555e+03 3.094098805e+03 1.26 1.346452199e+03 2.346835384e+03 2.794916657e+03 1.28 1.214084639e+03 2.117619164e+03 2.527221350e+03 1.30 1.097083093e+03 1.912938032e+03 2.288416852e+03 1.32 9.938370064e+02 1.730940863e+03 2.076508425e+03 1.34 9.025302406e+02 1.569789053e+03 1.889209220e+03 1.36 8.212249469e+02 1.427623714e+03 1.723759609e+03 1.38 7.480278417e+02 1.302525642e+03 1.576975818e+03 1.40 6.813387392e+02 1.192406823e+03 1.445456620e+03 1.42 6.201115892e+02 1.094977777e+03 1.326031226e+03 1.44 5.638826950e+02 1.007864421e+03 1.216349934e+03 1.46 5.124758334e+02 9.288278244e+02 1.115175078e+03 1.48 4.657429510e+02 8.560252294e+02 1.022008566e+03 1.50 4.234946033e+02 7.881923080e+02 9.365289357e+02 1.52 3.854873093e+02 7.246239781e+02 8.583865700e+02 1.54 3.514184473e+02 6.650104511e+02 7.871870424e+02 1.56 3.209251954e+02 6.092234205e+02 7.224937113e+02 1.58 2.935907914e+02 5.571652399e+02 6.638232370e+02 1.60 2.689631855e+02 5.087322338e+02 6.106341032e+02 1.62 2.465908621e+02 4.638163167e+02 5.623222563e+02 1.64 2.260747988e+02 4.223099760e+02 5.182415779e+02 1.66 2.071203406e+02 3.841089534e+02 4.777528657e+02 1.68 1.895552109e+02 3.491101785e+02 4.402934177e+02 1.70 1.732929604e+02 3.172056018e+02 4.054459717e+02 1.72 1.582796636e+02 2.882765621e+02 3.729647921e+02 1.74 1.444693761e+02 2.621916778e+02 3.427265449e+02 1.76 1.318163798e+02 2.388057962e+02 3.146485002e+02 1.78 1.202709624e+02 2.179574547e+02 2.886464171e+02 1.80 1.097782901e+02 1.994654067e+02 2.646278131e+02 1.82 1.002787510e+02 1.831268026e+02 2.424935005e+02 1.84 9.170872634e+01 1.687190843e+02 2.221406097e+02 1.86 8.400164404e+01 1.560056904e+02 2.034664159e+02 1.88 7.708917063e+01 1.447450476e+02 1.863723540e+02 1.90 7.090225440e+01 1.347014347e+02 1.707671006e+02 1.92 6.537166409e+01 1.256547322e+02 1.565673403e+02 1.94 6.042789891e+01 1.174074087e+02 1.436954990e+02 1.96 5.600098310e+01 1.097926077e+02 1.320756122e+02 1.98 5.202116167e+01 1.026862015e+02 1.216300591e+02 2.00 4.842092750e+01 9.601356496e+01 1.122785180e+02 2.02 4.513766773e+01 8.974008731e+01 1.039376921e+02 2.04 4.211600144e+01 8.385033233e+01 9.652028157e+01 2.06 3.930928627e+01 7.833274580e+01 8.993317647e+01 2.08 3.668033916e+01 7.317499762e+01 8.407600836e+01 2.10 3.420182608e+01 6.836332433e+01 7.884169053e+01 2.12 3.185606024e+01 6.388241313e+01 7.411985478e+01 2.14 2.963283543e+01 5.971534392e+01 6.980308479e+01 2.16 2.752543393e+01 5.584359592e+01 6.579533491e+01 2.18 2.552767866e+01 5.224714601e+01 6.202076691e+01 2.20 2.363324039e+01 4.890468813e+01 5.842943249e+01 2.22 2.183575639e+01 4.579400140e+01 5.499586357e+01 2.24 2.012902800e+01 4.289248465e+01 5.171041868e+01 2.26 1.850725782e+01 4.017785106e+01 4.856950646e+01 2.28 1.696530478e+01 3.762893339e+01 4.557063328e+01 2.30 1.549891022e+01 3.522649038e+01 4.271128816e+01 2.32 1.410482945e+01 3.295384324e+01 3.998881545e+01 2.34 1.278080382e+01 3.079714914e+01 3.740038268e+01 2.36 1.152534950e+01 2.874519714e+01 3.494294494e+01 2.38 1.033742626e+01 2.678882372e+01 3.261321084e+01 2.40 9.216130692e+00 2.492029585e+01 3.040761214e+01 2.42 8.160534652e+00 2.313303187e+01 2.832227880e+01 2.44 7.169651258e+00 2.142168694e+01 2.635302146e+01 2.46 6.242433584e+00 1.978229986e+01 2.449532373e+01 2.48 5.377767296e+00 1.821226255e+01 2.274434728e+01 2.50 4.574461139e+00 1.671006529e+01 2.109495281e+01 2.52 3.831237927e+00 1.527488790e+01 1.954174037e+01 2.54 3.146726251e+00 1.390619546e+01 1.807911183e+01 2.56 2.519453076e+00 1.260349154e+01 1.670135746e+01 2.58 1.947837341e+00 1.136624430e+01 1.540276647e+01 2.60 1.430184759e+00 1.019388167e+01 1.417775776e+01 2.62 9.646839819e-01 9.085786214e+00 1.302102219e+01 2.64 5.494043364e-01 8.041285172e+00 1.192766146e+01 2.66 1.822953341e-01 7.059640008e+00 1.089330265e+01 2.68 -1.388118256e-01 6.140036061e+00 9.914164542e+00 2.70 -4.162005485e-01 5.281572348e+00 8.987056236e+00 2.72 -6.522627274e-01 4.483251612e+00 8.109305336e+00 2.74 -8.494900244e-01 3.743970728e+00 7.278640150e+00 2.76 -1.010462398e+00 3.062511604e+00 6.493076476e+00 2.78 -1.137833761e+00 2.437532734e+00 5.750858623e+00 2.80 -1.234314727e+00 1.867561602e+00 5.050462792e+00 2.82 -1.302652484e+00 1.350988171e+00 4.390621741e+00 2.84 -1.345607946e+00 8.860597051e-01 3.770326246e+00 2.86 -1.365930473e+00 4.708772467e-01 3.188789965e+00 2.88 -1.366330630e+00 1.033940756e-01 2.645383518e+00 2.90 -1.349451657e+00 -2.185834570e-01 2.139552708e+00 2.92 -1.317840554e+00 -4.973923051e-01 1.670743754e+00 2.94 -1.273919987e+00 -7.355058608e-01 1.238356286e+00 2.96 -1.219962493e+00 -9.355233690e-01 8.417278830e-01 2.98 -1.158068763e+00 -1.100155139e+00 4.801348964e-01 3.00 -1.090151992e+00 -1.232203087e+00 1.527932672e-01 3.02 -1.017930392e+00 -1.334536193e+00 -1.411440036e-01 3.04 -9.429296863e-01 -1.410060553e+00 -4.025901995e-01 3.06 -8.664967111e-01 -1.461683898e+00 -6.325279446e-01 3.08 -7.898237380e-01 -1.492274705e+00 -8.320118072e-01 3.10 -7.139807865e-01 -1.504616478e+00 -1.002170369e+00 3.12 -6.399500514e-01 -1.501358341e+00 -1.144207671e+00 3.14 -5.686534545e-01 -1.484963950e+00 -1.259403938e+00 3.16 -5.009629105e-01 -1.457661820e+00 -1.349115491e+00 3.18 -4.376855893e-01 -1.421401498e+00 -1.414773716e+00 3.20 -3.795247754e-01 -1.377821497e+00 -1.457883000e+00 3.22 -3.270282640e-01 -1.328236130e+00 -1.480017509e+00 3.24 -2.805423201e-01 -1.273648676e+00 -1.482816686e+00 3.26 -2.401831563e-01 -1.214796580e+00 -1.467979369e+00 3.28 -2.058264306e-01 -1.152229036e+00 -1.437256427e+00 3.30 -1.771121254e-01 -1.086407646e+00 -1.392441805e+00 3.32 -1.534662067e-01 -1.017808258e+00 -1.335361938e+00 3.34 -1.341427698e-01 -9.469935030e-01 -1.267863459e+00 3.36 -1.182892501e-01 -8.746323398e-01 -1.191799220e+00 3.38 -1.050330628e-01 -8.014705121e-01 -1.109012634e+00 3.40 -9.358007670e-02 -7.282844174e-01 -1.021320446e+00 3.42 -8.330452194e-02 -6.558471104e-01 -9.304940689e-01 3.44 -7.380161989e-02 -5.849085669e-01 -8.382396927e-01 3.46 -6.487928619e-02 -5.161824791e-01 -7.461774805e-01 3.48 -5.649266011e-02 -4.503353214e-01 -6.558202020e-01 3.50 -4.866199210e-02 -3.879757007e-01 -5.685517702e-01 3.52 -4.141962759e-02 -3.296434546e-01 -4.856062140e-01 3.54 -3.479265004e-02 -2.757986306e-01 -4.080477004e-01 3.56 -2.879997281e-02 -2.268106315e-01 -3.367522924e-01 3.58 -2.345152821e-02 -1.829479004e-01 -2.723921978e-01 3.60 -1.874762670e-02 -1.443686314e-01 -2.154233404e-01 3.62 -1.467846643e-02 -1.111131362e-01 -1.660771700e-01 3.64 -1.122386158e-02 -8.309867451e-02 -1.243577530e-01 3.66 -8.353269366e-03 -6.011778070e-02 -9.004534675e-02 3.68 -6.026204198e-03 -4.184134952e-02 -6.270787111e-02 3.70 -4.193127786e-03 -2.782794427e-02 -4.172188526e-02 3.72 -2.796892864e-03 -1.754083762e-02 -2.630473436e-02 3.74 -1.774786920e-03 -1.037399803e-02 -1.555916830e-02 3.76 -1.061164504e-03 -5.687317568e-03 -8.530545338e-03 3.78 -5.905663165e-04 -2.849542842e-03 -4.274230952e-03 3.80 -3.011011207e-04 -1.284506603e-03 -1.926746990e-03 3.82 -1.377267662e-04 -5.128268788e-04 -7.692387464e-04 3.84 -5.494539435e-05 -1.788080993e-04 -2.682120038e-04 3.86 -1.838800245e-05 -5.361560361e-05 -8.042339600e-05 3.88 -4.884299026e-06 -1.335407518e-05 -2.003111240e-05 3.90 -9.493523031e-07 -2.539410779e-06 -3.809116162e-06 3.92 -1.192124060e-07 -3.179248614e-07 -4.768872920e-07 3.94 -7.910632082e-09 -2.109502013e-08 -3.164253019e-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