# 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 = Hg3Se # 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 1.249374822e+04 nan nan 0.88 1.090228231e+04 nan nan 0.90 9.543639285e+03 nan nan 0.92 8.377533898e+03 nan nan 0.94 7.371492687e+03 1.235375236e+04 nan 0.96 6.500659332e+03 1.088242000e+04 1.295666569e+04 0.98 5.745426230e+03 9.615011372e+03 1.147006656e+04 1.00 5.088081979e+03 8.524735761e+03 1.017783819e+04 1.02 4.513391059e+03 7.585627980e+03 9.045893731e+03 1.04 4.009730731e+03 6.771071176e+03 8.049337046e+03 1.06 3.567501917e+03 6.055970690e+03 7.170989948e+03 1.08 3.177898799e+03 5.420824596e+03 6.396715058e+03 1.10 2.833522767e+03 4.853460067e+03 5.714000899e+03 1.12 2.529138406e+03 4.346635557e+03 5.112151639e+03 1.14 2.260788683e+03 3.895130917e+03 4.582078442e+03 1.16 2.024600336e+03 3.494023690e+03 4.115239637e+03 1.18 1.816577714e+03 3.138045390e+03 3.703341410e+03 1.20 1.632914078e+03 2.821746151e+03 3.338645028e+03 1.22 1.470407387e+03 2.540059964e+03 3.014514529e+03 1.24 1.326620472e+03 2.288984580e+03 2.725891607e+03 1.26 1.199595940e+03 2.065627488e+03 2.469068985e+03 1.28 1.087456085e+03 1.867621123e+03 2.240981600e+03 1.30 9.882102319e+02 1.692713070e+03 2.038748645e+03 1.32 8.997745837e+02 1.538606864e+03 1.859361847e+03 1.34 8.201598145e+02 1.402941278e+03 1.699564383e+03 1.36 7.477561679e+02 1.283309894e+03 1.556050645e+03 1.38 6.815298742e+02 1.177244860e+03 1.425877051e+03 1.40 6.209353961e+02 1.082262891e+03 1.306868692e+03 1.42 5.656447754e+02 9.960795824e+02 1.197691336e+03 1.44 5.153828010e+02 9.168794284e+02 1.097540028e+03 1.46 4.698725418e+02 8.434308291e+02 1.005854761e+03 1.48 4.288047623e+02 7.750034997e+02 9.221610246e+02 1.50 3.918192041e+02 7.111998225e+02 8.459631258e+02 1.52 3.585030473e+02 6.517855293e+02 7.767134308e+02 1.54 3.284037549e+02 5.965932101e+02 7.138169937e+02 1.56 3.010577805e+02 5.454752997e+02 6.566406095e+02 1.58 2.760360994e+02 4.982812135e+02 6.045241831e+02 1.60 2.529953516e+02 4.548546546e+02 5.568046774e+02 1.62 2.317055130e+02 4.150372818e+02 5.128654835e+02 1.64 2.120279494e+02 3.786713558e+02 4.722009767e+02 1.66 1.938663792e+02 3.455985952e+02 4.344557798e+02 1.68 1.771397233e+02 3.156546825e+02 3.994044811e+02 1.70 1.617771060e+02 2.886627843e+02 3.668951023e+02 1.72 1.477152676e+02 2.644305675e+02 3.368096586e+02 1.74 1.348935078e+02 2.427507020e+02 3.090438504e+02 1.76 1.232488160e+02 2.234023419e+02 2.834928099e+02 1.78 1.127138116e+02 2.061528432e+02 2.600453347e+02 1.80 1.032166993e+02 1.907607499e+02 2.385843733e+02 1.82 9.468181296e+01 1.769817634e+02 2.189894526e+02 1.84 8.703042212e+01 1.645775116e+02 2.011398423e+02 1.86 8.018171893e+01 1.533243067e+02 1.849179426e+02 1.88 7.405380683e+01 1.430207697e+02 1.702119942e+02 1.90 6.856445846e+01 1.334969685e+02 1.569168991e+02 1.92 6.363156772e+01 1.246240732e+02 1.449322989e+02 1.94 5.917374053e+01 1.163159016e+02 1.341585244e+02 1.96 5.511203987e+01 1.085185118e+02 1.244928303e+02 1.98 5.137358514e+01 1.011965085e+02 1.158280717e+02 2.00 4.789633812e+01 9.432519865e+01 1.080535099e+02 2.02 4.463330944e+01 8.788623646e+01 1.010564644e+02 2.04 4.155404979e+01 8.186360002e+01 9.472447237e+01 2.06 3.864187501e+01 7.624103001e+01 8.894830509e+01 2.08 3.588780210e+01 7.100121411e+01 8.362647667e+01 2.10 3.328509141e+01 6.612564200e+01 7.867125013e+01 2.12 3.082708422e+01 6.159456308e+01 7.401413505e+01 2.14 2.850697337e+01 5.738700683e+01 6.960746035e+01 2.16 2.631783817e+01 5.348089014e+01 6.542058057e+01 2.18 2.425269334e+01 4.985323611e+01 6.143375811e+01 2.20 2.230457221e+01 4.648052675e+01 5.763406850e+01 2.22 2.046664885e+01 4.333920243e+01 5.401329116e+01 2.24 1.873239795e+01 4.040629916e+01 5.056590512e+01 2.26 1.709578191e+01 3.766017632e+01 4.728737603e+01 2.28 1.555144125e+01 3.508123547e+01 4.417332220e+01 2.30 1.409484810e+01 3.265247658e+01 4.121931788e+01 2.32 1.272237035e+01 3.035971807e+01 3.842085241e+01 2.34 1.143120019e+01 2.819137129e+01 3.577329357e+01 2.36 1.021913962e+01 2.613784239e+01 3.327185297e+01 2.38 9.084308106e+00 2.419086489e+01 3.091155640e+01 2.40 8.024895473e+00 2.234312456e+01 2.868722050e+01 2.42 7.039047952e+00 2.058826856e+01 2.659343770e+01 2.44 6.124854347e+00 1.892106572e+01 2.462457165e+01 2.46 5.280348148e+00 1.733748442e+01 2.277476553e+01 2.48 4.503499852e+00 1.583460504e+01 2.103796604e+01 2.50 3.792207331e+00 1.441036250e+01 1.940796558e+01 2.52 3.144287250e+00 1.306318697e+01 1.787846495e+01 2.54 2.557467817e+00 1.179167717e+01 1.644315727e+01 2.56 2.029383030e+00 1.059442062e+01 1.509583221e+01 2.58 1.557568622e+00 9.469952977e+00 1.383049589e+01 2.60 1.139459870e+00 8.416760912e+00 1.264149749e+01 2.62 7.723914842e-01 7.433276682e+00 1.152364815e+01 2.64 4.535997810e-01 6.517867381e+00 1.047231284e+01 2.66 1.802273272e-01 5.668824278e+00 9.483454198e+00 2.68 -5.066974911e-02 4.884352909e+00 8.553612584e+00 2.70 -2.421116294e-01 4.162564117e+00 7.679822268e+00 2.72 -3.971817326e-01 3.501466213e+00 6.859488247e+00 2.74 -5.190106310e-01 2.898958504e+00 6.090270436e+00 2.76 -6.107569556e-01 2.352826442e+00 5.370020101e+00 2.78 -6.755853766e-01 1.860738687e+00 4.696776761e+00 2.80 -7.166418547e-01 1.420246439e+00 4.068790725e+00 2.82 -7.370264812e-01 1.028785376e+00 3.484532319e+00 2.84 -7.397643743e-01 6.836806189e-01 2.942674088e+00 2.86 -7.277752577e-01 3.821551225e-01 2.442046589e+00 2.88 -7.038425282e-01 1.213419212e-01 1.981573921e+00 2.90 -6.705828042e-01 -1.016993711e-01 1.560202854e+00 2.92 -6.304171407e-01 -2.899614507e-01 1.176844855e+00 2.94 -5.855452734e-01 -4.464633461e-01 8.303457244e-01 2.96 -5.379244095e-01 -5.742194827e-01 5.194816169e-01 2.98 -4.892541622e-01 -6.762039613e-01 2.429655145e-01 3.00 -4.409691818e-01 -7.553106171e-01 -5.493041202e-04 3.02 -3.942407608e-01 -8.143099861e-01 -2.124696410e-01 3.04 -3.499880574e-01 -8.558050719e-01 -3.942632203e-01 3.06 -3.088984369e-01 -8.821887799e-01 -5.474587664e-01 3.08 -2.714546879e-01 -8.956070225e-01 -6.736451223e-01 3.10 -2.379646918e-01 -8.979326069e-01 -7.744693047e-01 3.12 -2.085871586e-01 -8.907557021e-01 -8.516333922e-01 3.14 -1.833466855e-01 -8.753962391e-01 -9.068901470e-01 3.16 -1.621345317e-01 -8.529410608e-01 -9.420372752e-01 3.18 -1.446990212e-01 -8.243031484e-01 -9.589102409e-01 3.20 -1.306386327e-01 -7.902920874e-01 -9.593735688e-01 3.22 -1.194142824e-01 -7.516772393e-01 -9.453105865e-01 3.24 -1.103897328e-01 -7.092246837e-01 -9.186115947e-01 3.26 -1.028964943e-01 -6.637023272e-01 -8.811604827e-01 3.28 -9.631183330e-02 -6.158687416e-01 -8.348198584e-01 3.30 -9.013369043e-02 -5.664674637e-01 -7.814148117e-01 3.32 -8.403112706e-02 -5.162302486e-01 -7.227154928e-01 3.34 -7.785036633e-02 -4.658782533e-01 -6.604187538e-01 3.36 -7.157320861e-02 -4.161146826e-01 -5.961291761e-01 3.38 -6.525234294e-02 -3.676099894e-01 -5.313398813e-01 3.40 -5.896097586e-02 -3.209843236e-01 -4.674135990e-01 3.42 -5.277197872e-02 -2.767918953e-01 -4.055645401e-01 3.44 -4.675355620e-02 -2.355088422e-01 -3.468416965e-01 3.46 -4.096835251e-02 -1.975235035e-01 -2.921142579e-01 3.48 -3.547274484e-02 -1.631280890e-01 -2.420599072e-01 3.50 -3.031611185e-02 -1.325118623e-01 -1.971568384e-01 3.52 -2.554009302e-02 -1.057564990e-01 -1.576804344e-01 3.54 -2.117786482e-02 -8.283449016e-02 -1.237056538e-01 3.56 -1.725346787e-02 -6.361160661e-02 -9.511628311e-02 3.58 -1.378122975e-02 -4.785452578e-02 -7.162225414e-02 3.60 -1.076533849e-02 -3.524462704e-02 -5.278607084e-02 3.62 -8.199633637e-03 -2.539854938e-02 -3.805882576e-02 3.64 -6.067691296e-03 -1.789517325e-02 -2.682501067e-02 3.66 -4.343285282e-03 -1.230710398e-02 -1.845311316e-02 3.68 -2.991304578e-03 -8.232598697e-03 -1.234594664e-02 3.70 -1.969191538e-03 -5.321845193e-03 -7.981723255e-03 3.72 -1.228929947e-03 -3.291015599e-03 -4.936196382e-03 3.74 -7.195506254e-04 -1.920450646e-03 -2.880587837e-03 3.76 -3.900312580e-04 -1.040171798e-03 -1.560237925e-03 3.78 -1.923510938e-04 -5.129368620e-04 -7.694017539e-04 3.80 -8.433892396e-05 -2.249036836e-04 -3.373550472e-04 3.82 -3.186456757e-05 -8.497216923e-05 -1.274582086e-04 3.84 -9.931732119e-06 -2.648461833e-05 -3.972692480e-05 3.86 -2.399225797e-06 -6.397935437e-06 -9.596903068e-06 3.88 -4.094116414e-07 -1.091764377e-06 -1.637646564e-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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