# 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 = Hg3Te # 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 1.453986439e+04 nan nan 0.88 1.266637829e+04 nan nan 0.90 1.107577033e+04 nan nan 0.92 9.719458935e+03 nan nan 0.94 8.556803729e+03 1.440806806e+04 nan 0.96 7.555386727e+03 1.269000460e+04 1.504091576e+04 0.98 6.687610522e+03 1.120970432e+04 1.331338091e+04 1.00 5.931801384e+03 9.929627334e+03 1.182205775e+04 1.02 5.271271116e+03 8.819395441e+03 1.052872708e+04 1.04 4.691506996e+03 7.856961145e+03 9.398074094e+03 1.06 4.180611602e+03 7.022335625e+03 8.399130712e+03 1.08 3.729901277e+03 6.294159548e+03 7.510510565e+03 1.10 3.332173390e+03 5.651433368e+03 6.719662657e+03 1.12 2.980454313e+03 5.077606983e+03 6.016921763e+03 1.14 2.668510439e+03 4.562898605e+03 5.392955415e+03 1.16 2.391588267e+03 4.101939810e+03 4.839122917e+03 1.18 2.146152828e+03 3.690376294e+03 4.348116821e+03 1.20 1.928869381e+03 3.323798243e+03 3.913445181e+03 1.22 1.736341665e+03 2.997579996e+03 3.528678186e+03 1.24 1.565388698e+03 2.706852009e+03 3.187415948e+03 1.26 1.413301689e+03 2.446825662e+03 2.883721667e+03 1.28 1.277901138e+03 2.213452653e+03 2.612834296e+03 1.30 1.157374020e+03 2.003847379e+03 2.371421779e+03 1.32 1.050066640e+03 1.815995669e+03 2.156906029e+03 1.34 9.544159174e+02 1.648243478e+03 1.966673850e+03 1.36 8.689150888e+02 1.499101482e+03 1.797894201e+03 1.38 7.920961780e+02 1.367076123e+03 1.647592357e+03 1.40 7.226046600e+02 1.250484836e+03 1.512774985e+03 1.42 6.593492650e+02 1.147401679e+03 1.390631297e+03 1.44 6.016170743e+02 1.055721046e+03 1.278839796e+03 1.46 5.490083720e+02 9.733058507e+02 1.175858338e+03 1.48 5.012275237e+02 8.982068163e+02 1.080884242e+03 1.50 4.579665502e+02 8.288818336e+02 9.934620378e+02 1.52 4.188963994e+02 7.642937659e+02 9.131913692e+02 1.54 3.836748012e+02 7.038505144e+02 8.396766431e+02 1.56 3.519491906e+02 6.472642133e+02 7.725251472e+02 1.58 3.233524506e+02 5.943844386e+02 7.113279160e+02 1.60 2.975003938e+02 5.450943067e+02 6.556321616e+02 1.62 2.740033536e+02 4.992856995e+02 6.049284823e+02 1.64 2.524924329e+02 4.568585583e+02 5.586609842e+02 1.66 2.326544174e+02 4.177190136e+02 5.162558757e+02 1.68 2.142641476e+02 3.817724576e+02 4.771663785e+02 1.70 1.971906861e+02 3.489149378e+02 4.409268924e+02 1.72 1.813635221e+02 3.190277243e+02 4.071953863e+02 1.74 1.667303541e+02 2.919753670e+02 3.757543726e+02 1.76 1.532390670e+02 2.676050113e+02 3.464644378e+02 1.78 1.408344988e+02 2.457462686e+02 3.192136553e+02 1.80 1.294584112e+02 2.262118039e+02 2.938987712e+02 1.82 1.190500963e+02 2.087989581e+02 2.704222946e+02 1.84 1.095472613e+02 1.932928098e+02 2.486915480e+02 1.86 1.008870714e+02 1.794710344e+02 2.286198619e+02 1.88 9.300710056e+01 1.671105895e+02 2.101288150e+02 1.90 8.584584087e+01 1.559955234e+02 1.931488241e+02 1.92 7.934253283e+01 1.459243572e+02 1.776166776e+02 1.94 7.343658461e+01 1.367155296e+02 1.634705754e+02 1.96 6.806744385e+01 1.282114104e+02 1.506451806e+02 1.98 6.317557726e+01 1.202837438e+02 1.390689476e+02 2.00 5.870413413e+01 1.128403811e+02 1.286633943e+02 2.02 5.460036533e+01 1.058261548e+02 1.193429819e+02 2.04 5.081619944e+01 9.921268806e+01 1.110152091e+02 2.06 4.730797853e+01 9.298290440e+01 1.035810280e+02 2.08 4.403621839e+01 8.712126372e+01 9.693580720e+01 2.10 4.096657797e+01 8.161139389e+01 9.097114624e+01 2.12 3.807192263e+01 7.643592035e+01 8.557788318e+01 2.14 3.533362343e+01 7.157647802e+01 8.065053289e+01 2.16 3.274047850e+01 6.701380712e+01 7.609303104e+01 2.18 3.028573372e+01 6.272795998e+01 7.182495838e+01 2.20 2.796443437e+01 5.869864200e+01 6.778650450e+01 2.22 2.577224910e+01 5.490570042e+01 6.393986610e+01 2.24 2.370498953e+01 5.132975096e+01 6.026556666e+01 2.26 2.175836349e+01 4.795289242e+01 5.675495559e+01 2.28 1.992790974e+01 4.475940205e+01 5.340317126e+01 2.30 1.820899428e+01 4.173624609e+01 5.020590172e+01 2.32 1.659681870e+01 3.887321378e+01 4.715881902e+01 2.34 1.508644412e+01 3.616254750e+01 4.425753684e+01 2.36 1.367283575e+01 3.359813294e+01 4.149757741e+01 2.38 1.235093069e+01 3.117456469e+01 3.887434168e+01 2.40 1.111573028e+01 2.888648544e+01 3.638308549e+01 2.42 9.962413969e+00 2.672833885e+01 3.401890344e+01 2.44 8.886466141e+00 2.469435101e+01 3.177672263e+01 2.46 7.883798544e+00 2.277855886e+01 2.965130894e+01 2.48 6.950841994e+00 2.097485218e+01 2.763728823e+01 2.50 6.084575674e+00 1.927703605e+01 2.572918560e+01 2.52 5.282468439e+00 1.767891775e+01 2.392148450e+01 2.54 4.542332118e+00 1.617441951e+01 2.220870704e+01 2.56 3.862129596e+00 1.475771532e+01 2.058551420e+01 2.58 3.239813471e+00 1.342338444e+01 1.904682139e+01 2.60 2.673250552e+00 1.216656624e+01 1.758791971e+01 2.62 2.160215761e+00 1.098309113e+01 1.620458759e+01 2.64 1.698401616e+00 9.869554434e+00 1.489317190e+01 2.66 1.285422300e+00 8.823299592e+00 1.365061500e+01 2.68 9.188169817e-01 7.842292896e+00 1.247440977e+01 2.70 5.960551791e-01 6.924908342e+00 1.136248029e+01 2.72 3.145444870e-01 6.069687574e+00 1.031301328e+01 2.74 7.164077360e-02 5.275160205e+00 9.324290882e+00 2.76 -1.353390826e-01 4.539767510e+00 8.394577051e+00 2.78 -3.091019116e-01 3.861854805e+00 7.522074474e+00 2.80 -4.523604920e-01 3.239675001e+00 6.704924181e+00 2.82 -5.678134782e-01 2.671385883e+00 5.941214256e+00 2.84 -6.581233020e-01 2.155046248e+00 5.228988517e+00 2.86 -7.258924879e-01 1.688613377e+00 4.566257601e+00 2.88 -7.736390107e-01 1.269942232e+00 3.951013605e+00 2.90 -8.037715467e-01 8.967866493e-01 3.381248300e+00 2.92 -8.185657333e-01 5.668027885e-01 2.854974524e+00 2.94 -8.201428417e-01 2.775551516e-01 2.370249884e+00 2.96 -8.104525640e-01 2.652544929e-02 1.925201279e+00 2.98 -7.912618634e-01 -1.888753950e-01 1.518047955e+00 3.00 -7.641519430e-01 -3.712918507e-01 1.147120051e+00 3.02 -7.305251977e-01 -5.234047963e-01 8.108689490e-01 3.04 -6.916233209e-01 -6.479088335e-01 5.078656946e-01 3.06 -6.485563037e-01 -7.474859231e-01 2.367847566e-01 3.08 -6.023397384e-01 -8.247755567e-01 -3.627065073e-03 3.10 -5.539347844e-01 -8.823419416e-01 -2.145925788e-01 3.12 -5.042821501e-01 -9.226390293e-01 -3.973482171e-01 3.14 -4.543201623e-01 -9.479746671e-01 -5.531786604e-01 3.16 -4.049796454e-01 -9.604757037e-01 -6.834334883e-01 3.18 -3.571560330e-01 -9.620565162e-01 -7.895263821e-01 3.20 -3.116689983e-01 -9.543940931e-01 -8.729263155e-01 3.22 -2.692242903e-01 -9.389133792e-01 -9.351497916e-01 3.24 -2.303862071e-01 -9.167868571e-01 -9.777555631e-01 3.26 -1.955593608e-01 -8.889519349e-01 -1.002339525e+00 3.28 -1.649761708e-01 -8.561481735e-01 -1.010528639e+00 3.30 -1.386898063e-01 -8.189731899e-01 -1.003973711e+00 3.32 -1.165743994e-01 -7.779510367e-01 -9.843409959e-01 3.34 -9.833499307e-02 -7.336007434e-01 -9.533026203e-01 3.36 -8.352988629e-02 -6.864881512e-01 -9.125258537e-01 3.38 -7.160761620e-02 -6.372458958e-01 -8.636612685e-01 3.40 -6.195917055e-02 -5.865584240e-01 -8.083298845e-01 3.42 -5.398243495e-02 -5.351273080e-01 -7.481094203e-01 3.44 -4.715009575e-02 -4.836403760e-01 -6.845198221e-01 3.46 -4.106558284e-02 -4.327549366e-01 -6.190082861e-01 3.48 -3.548843455e-02 -3.830888976e-01 -5.529340368e-01 3.50 -3.031745131e-02 -3.352132778e-01 -4.875531714e-01 3.52 -2.554013349e-02 -2.896446664e-01 -4.240039231e-01 3.54 -2.117786501e-02 -2.468376812e-01 -3.632927407e-01 3.56 -1.725346787e-02 -2.071776062e-01 -3.062816109e-01 3.58 -1.378122975e-02 -1.709734346e-01 -2.536770869e-01 3.60 -1.076533849e-02 -1.384515898e-01 -2.060215120e-01 3.62 -8.199633637e-03 -1.097506668e-01 -1.636869556e-01 3.64 -6.067691296e-03 -8.491760741e-02 -1.268724191e-01 3.66 -4.343285282e-03 -6.390582254e-02 -9.560491863e-02 3.68 -2.991304578e-03 -4.657587438e-02 -6.974511889e-02 3.70 -1.969191538e-03 -3.269943112e-02 -4.899826818e-02 3.72 -1.228929947e-03 -2.196726952e-02 -3.293123248e-02 3.74 -7.195506254e-04 -1.400206808e-02 -2.099638029e-02 3.76 -3.900312580e-04 -8.376521065e-03 -1.256280428e-02 3.78 -1.923510938e-04 -4.636794575e-03 -6.954707993e-03 3.80 -8.433892396e-05 -2.330426594e-03 -3.495545784e-03 3.82 -3.186456757e-05 -1.036397024e-03 -1.554581866e-03 3.84 -9.931732119e-06 -3.934150884e-04 -5.901212731e-04 3.86 -2.399225797e-06 -1.210214363e-04 -1.815320727e-04 3.88 -4.094116414e-07 -2.791311488e-05 -4.186966986e-05 3.90 -4.272820115e-08 -4.273512724e-06 -6.410269058e-06 3.92 -2.152663574e-09 -3.547558087e-07 -5.321337129e-07 3.94 -3.448216569e-11 -1.111571081e-08 -1.667356622e-08 3.96 -7.793539088e-14 -6.410598255e-11 -9.615897382e-11 3.98 -4.033124535e-18 -1.304244826e-14 -1.956367239e-14 4.00 -2.972405702e-26 -7.476371991e-22 -1.121455799e-21 4.02 -1.302264461e-47 -1.629084198e-42 -2.443626297e-42 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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