# 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 = Te3Zn # 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 2.791574212e+04 nan nan 0.88 2.431511095e+04 nan nan 0.90 2.125447182e+04 nan nan 0.92 1.863814955e+04 nan nan 0.94 1.638938341e+04 2.764330798e+04 nan 0.96 1.444518010e+04 2.434932031e+04 2.894121464e+04 0.98 1.275978682e+04 2.151260553e+04 2.562265796e+04 1.00 1.129753730e+04 1.905731586e+04 2.274427256e+04 1.02 1.002628557e+04 1.692644598e+04 2.022669771e+04 1.04 8.917800126e+03 1.507150654e+04 1.800789351e+04 1.06 7.948705893e+03 1.344797434e+04 1.604640316e+04 1.08 7.098165014e+03 1.201811854e+04 1.431319735e+04 1.10 6.347305500e+03 1.075423291e+04 1.278277313e+04 1.12 5.681157234e+03 9.636890052e+03 1.143178031e+04 1.14 5.089159465e+03 8.649884721e+03 1.024030539e+04 1.16 4.562523256e+03 7.778036562e+03 9.190980545e+03 1.18 4.092986809e+03 7.007027027e+03 8.266251045e+03 1.20 3.673586954e+03 6.323046756e+03 7.448415872e+03 1.22 3.298999166e+03 5.713064507e+03 6.721693909e+03 1.24 2.965051555e+03 5.165606970e+03 6.073701642e+03 1.26 2.668209201e+03 4.671880819e+03 5.495457853e+03 1.28 2.405265807e+03 4.226209877e+03 4.980295322e+03 1.30 2.173149715e+03 3.824982742e+03 4.522261942e+03 1.32 1.968668569e+03 3.465343508e+03 4.115269853e+03 1.34 1.788308970e+03 3.144443432e+03 3.753024783e+03 1.36 1.628374363e+03 2.859192344e+03 3.429136808e+03 1.38 1.485445588e+03 2.606091393e+03 3.137492129e+03 1.40 1.356861935e+03 2.381180301e+03 2.872917651e+03 1.42 1.240818373e+03 2.180267463e+03 2.631681060e+03 1.44 1.136052807e+03 1.999384093e+03 2.411416912e+03 1.46 1.041538264e+03 1.835257438e+03 2.210570764e+03 1.48 9.563070135e+02 1.685492183e+03 2.027932482e+03 1.50 8.793716595e+02 1.548392686e+03 1.862372957e+03 1.52 8.097171393e+02 1.422707331e+03 1.712673864e+03 1.54 7.463464857e+02 1.307461054e+03 1.577489387e+03 1.56 6.883380081e+02 1.201884180e+03 1.455358954e+03 1.58 6.348861094e+02 1.105321953e+03 1.344724072e+03 1.60 5.853350341e+02 1.017117843e+03 1.243974831e+03 1.62 5.392136635e+02 9.365662861e+02 1.151559686e+03 1.64 4.962376122e+02 8.629340555e+02 1.066140910e+03 1.66 4.562538635e+02 7.955065675e+02 9.867277541e+02 1.68 4.191576798e+02 7.336403861e+02 9.127015058e+02 1.70 3.848429176e+02 6.768034545e+02 8.437002896e+02 1.72 3.531917331e+02 6.245827976e+02 7.794601610e+02 1.74 3.240730283e+02 5.766568349e+02 7.197359819e+02 1.76 2.973424481e+02 5.327522427e+02 6.642930798e+02 1.78 2.728448935e+02 4.926030826e+02 6.129125678e+02 1.80 2.504193944e+02 4.559243646e+02 5.653901908e+02 1.82 2.299055427e+02 4.224092964e+02 5.215257971e+02 1.84 2.111502736e+02 3.917417256e+02 4.811114188e+02 1.86 1.940129507e+02 3.636133020e+02 4.439283126e+02 1.88 1.783666210e+02 3.377389043e+02 4.097531126e+02 1.90 1.640953748e+02 3.138653400e+02 3.783678376e+02 1.92 1.510911365e+02 2.917756485e+02 3.495704921e+02 1.94 1.392529595e+02 2.712957629e+02 3.231828415e+02 1.96 1.284869964e+02 2.522989542e+02 2.990510376e+02 1.98 1.187042459e+02 2.346960443e+02 2.770366510e+02 2.00 1.098171228e+02 2.184133137e+02 2.570016960e+02 2.02 1.017384856e+02 2.033762794e+02 2.387966828e+02 2.04 9.438476127e+01 1.895061771e+02 2.222571028e+02 2.06 8.768065919e+01 1.767208797e+02 2.072059427e+02 2.08 8.156183263e+01 1.649361021e+02 1.934596968e+02 2.10 7.597333969e+01 1.540664620e+02 1.808378411e+02 2.12 7.086518967e+01 1.440265063e+02 1.691753566e+02 2.14 6.618924885e+01 1.347321024e+02 1.583358290e+02 2.16 6.189905602e+01 1.261024650e+02 1.482201086e+02 2.18 5.795038188e+01 1.180624652e+02 1.387650406e+02 2.20 5.430128272e+01 1.105445820e+02 1.299318989e+02 2.22 5.091174941e+01 1.034902796e+02 1.216923805e+02 2.24 4.774362782e+01 9.685109974e+01 1.140199930e+02 2.26 4.476148951e+01 9.058961142e+01 1.068867128e+02 2.28 4.193433312e+01 8.467945766e+01 1.002621787e+02 2.30 3.923732709e+01 7.910345774e+01 9.411374351e+01 2.32 3.665285002e+01 7.384996693e+01 8.840671850e+01 2.34 3.417028718e+01 6.890914126e+01 8.310475817e+01 2.36 3.178443538e+01 6.427075211e+01 7.817040438e+01 2.38 2.949311977e+01 5.992356670e+01 7.356580146e+01 2.40 2.729519585e+01 5.585527708e+01 6.925358381e+01 2.42 2.518966825e+01 5.205248430e+01 6.519792956e+01 2.44 2.317556285e+01 4.850071098e+01 6.136576316e+01 2.46 2.125193577e+01 4.518445978e+01 5.772804792e+01 2.48 1.941786315e+01 4.208733263e+01 5.426099772e+01 2.50 1.767242671e+01 3.919222678e+01 5.094687249e+01 2.52 1.601469939e+01 3.648162365e+01 4.777395634e+01 2.54 1.444373109e+01 3.393798228e+01 4.473552227e+01 2.56 1.295853443e+01 3.154423877e+01 4.182804409e+01 2.58 1.155807066e+01 2.928439378e+01 3.904937593e+01 2.60 1.024123572e+01 2.714413988e+01 3.639761705e+01 2.62 9.006846438e+00 2.511144180e+01 3.387074892e+01 2.64 7.853627015e+00 2.317694537e+01 3.146659898e+01 2.66 6.780195846e+00 2.133407735e+01 2.918282972e+01 2.68 5.785052803e+00 1.957874183e+01 2.701691955e+01 2.70 4.866567112e+00 1.790864370e+01 2.496614462e+01 2.72 4.022965990e+00 1.632244840e+01 2.302756320e+01 2.74 3.252324256e+00 1.481909383e+01 2.119800365e+01 2.76 2.552555118e+00 1.339745367e+01 1.947405674e+01 2.78 1.921402418e+00 1.205627187e+01 1.785207369e+01 2.80 1.356434608e+00 1.079416803e+01 1.632817118e+01 2.82 8.550408039e-01 9.609631851e+00 1.489824482e+01 2.84 4.144292368e-01 8.501012356e+00 1.355799287e+01 2.86 3.162850894e-02 7.466508135e+00 1.230295154e+01 2.88 -2.965079759e-01 6.504159452e+00 1.112854359e+01 2.90 -5.732939990e-01 5.611842727e+00 1.003014082e+01 2.92 -8.021985416e-01 4.787268000e+00 9.003140764e+00 2.94 -9.868294626e-01 4.027980077e+00 8.043055847e+00 2.96 -1.130912519e+00 3.331364142e+00 7.145611528e+00 2.98 -1.238265487e+00 2.694656721e+00 6.306846719e+00 3.00 -1.312767245e+00 2.114962892e+00 5.523206521e+00 3.02 -1.358321827e+00 1.589280641e+00 4.791613854e+00 3.04 -1.378817625e+00 1.114533093e+00 4.109504527e+00 3.06 -1.378082159e+00 6.876089722e-01 3.474811481e+00 3.08 -1.359833082e+00 3.054109985e-01 2.885890821e+00 3.10 -1.327626403e+00 -3.508924871e-02 2.341396108e+00 3.12 -1.284803260e+00 -3.367931243e-01 1.840126188e+00 3.14 -1.234436982e+00 -6.024188145e-01 1.380886698e+00 3.16 -1.179282626e+00 -8.344554361e-01 9.624024945e-01 3.18 -1.121731731e+00 -1.035137759e+00 5.832905181e-01 3.20 -1.063775647e+00 -1.206452447e+00 2.420681096e-01 3.22 -1.006981548e+00 -1.350183041e+00 -6.283503012e-02 3.24 -9.524859600e-01 -1.467990788e+00 -3.330712287e-01 3.26 -9.010110948e-01 -1.561512286e+00 -5.703710158e-01 3.28 -8.529088825e-01 -1.632440219e+00 -7.765380544e-01 3.30 -8.082351960e-01 -1.682555797e+00 -9.534423017e-01 3.32 -7.668510145e-01 -1.713710806e+00 -1.103011260e+00 3.34 -7.285372583e-01 -1.727790954e+00 -1.227219211e+00 3.36 -6.930975083e-01 -1.726688858e+00 -1.328074359e+00 3.38 -6.604151613e-01 -1.712286370e+00 -1.407603845e+00 3.40 -6.304417969e-01 -1.686437926e+00 -1.467836658e+00 3.42 -6.031289211e-01 -1.650952624e+00 -1.510784514e+00 3.44 -5.783539076e-01 -1.607575080e+00 -1.538420869e+00 3.46 -5.558863088e-01 -1.557965316e+00 -1.552658318e+00 3.48 -5.353948094e-01 -1.503678040e+00 -1.555324751e+00 3.50 -5.164733966e-01 -1.446141798e+00 -1.548138775e+00 3.52 -4.986766279e-01 -1.386638604e+00 -1.532685098e+00 3.54 -4.815606618e-01 -1.326284843e+00 -1.510390796e+00 3.56 -4.647255421e-01 -1.266014469e+00 -1.482503702e+00 3.58 -4.478519155e-01 -1.206565788e+00 -1.450074515e+00 3.60 -4.307241576e-01 -1.148473489e+00 -1.413944728e+00 3.62 -4.132335236e-01 -1.092067865e+00 -1.374742939e+00 3.64 -3.953605836e-01 -1.037483484e+00 -1.332892514e+00 3.66 -3.771445848e-01 -9.846794973e-01 -1.288633595e+00 3.68 -3.586532097e-01 -9.334731915e-01 -1.242061644e+00 3.70 -3.399634049e-01 -8.835867952e-01 -1.193182506e+00 3.72 -3.211539716e-01 -8.347046762e-01 -1.141979910e+00 3.74 -3.023039417e-01 -7.865339849e-01 -1.088485577e+00 3.76 -2.834922499e-01 -7.388576671e-01 -1.032836403e+00 3.78 -2.647974863e-01 -6.915672457e-01 -9.753016897e-01 3.80 -2.462976091e-01 -6.446672774e-01 -9.162710847e-01 3.82 -2.280696119e-01 -5.982547295e-01 -8.562116936e-01 3.84 -2.101891440e-01 -5.524879768e-01 -7.956195871e-01 3.86 -1.927300797e-01 -5.075601439e-01 -7.349884502e-01 3.88 -1.757640354e-01 -4.636803478e-01 -6.747970463e-01 3.90 -1.593598333e-01 -4.210600168e-01 -6.155044118e-01 3.92 -1.435829102e-01 -3.799036812e-01 -5.575461947e-01 3.94 -1.284946734e-01 -3.404039763e-01 -5.013309590e-01 3.96 -1.141518047e-01 -3.027388954e-01 -4.472364347e-01 3.98 -1.006055169e-01 -2.670695905e-01 -3.956057605e-01 4.00 -8.790077058e-02 -2.335381791e-01 -3.467437809e-01 4.02 -7.607546095e-02 -2.022655169e-01 -3.009134623e-01 4.04 -6.515958956e-02 -1.733489767e-01 -2.583325089e-01 4.06 -5.517444121e-02 -1.468602884e-01 -2.191702692e-01 4.08 -4.613179251e-02 -1.228435125e-01 -1.835450404e-01 4.10 -3.803318649e-02 -1.013132348e-01 -1.515218943e-01 4.12 -3.086931613e-02 -8.225309326e-02 -1.231111721e-01 4.14 -2.461956942e-02 -6.561477005e-02 -9.826781796e-02 4.16 -1.925179814e-02 -5.131760494e-02 -7.689174826e-02 4.18 -1.472238144e-02 -3.924900868e-02 -5.882947801e-02 4.20 -1.097666118e-02 -2.926586995e-02 -4.387724549e-02 4.22 -7.949826946e-03 -2.119715104e-02 -3.178587819e-02 4.24 -5.568320147e-03 -1.484784692e-02 -2.226761731e-02 4.26 -3.751805064e-03 -1.000442658e-02 -1.500504380e-02 4.28 -2.415714094e-03 -6.441770863e-03 -9.662106070e-03 4.30 -1.474311082e-03 -3.931455771e-03 -5.897016816e-03 4.32 -8.441283940e-04 -2.250998526e-03 -3.376454375e-03 4.34 -4.475251226e-04 -1.193398050e-03 -1.790087680e-03 4.36 -2.160012293e-04 -5.760028848e-04 -8.640027041e-04 4.38 -9.281711015e-05 -2.475122423e-04 -3.712681512e-04 4.40 -3.445811614e-05 -9.188830498e-05 -1.378324379e-04 4.42 -1.060433507e-05 -2.827822657e-05 -4.241733870e-05 4.44 -2.551263263e-06 -6.803368693e-06 -1.020505300e-05 4.46 -4.403738082e-07 -1.174330155e-06 -1.761495232e-06 4.48 -4.783788896e-08 -1.275677039e-07 -1.913515558e-07 4.50 -2.649752723e-09 -7.066007261e-09 -1.059901089e-08 4.52 -5.217143248e-11 -1.391238199e-10 -2.086857299e-10 4.54 -1.860005621e-13 -4.960014989e-13 -7.440022484e-13 4.56 -2.890825799e-17 -7.708868797e-17 -1.156330320e-16 4.58 -5.273596167e-24 -1.406292311e-23 -2.109438467e-23 4.60 -3.617002431e-39 -9.645339815e-39 -1.446800972e-38 4.62 -7.033445854e-105 -1.875585561e-104 -2.813378342e-104 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 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