# 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 = HgSZn2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 8.821898803e+03 8.821898803e+03 0.96 7.768186871e+03 7.768186871e+03 0.98 6.861198227e+03 6.861198227e+03 1.00 6.073460653e+03 6.073460653e+03 1.02 5.382857307e+03 5.382857307e+03 1.04 4.774420317e+03 4.774420317e+03 1.06 4.237833242e+03 4.237833242e+03 1.08 3.764277870e+03 3.764277870e+03 1.10 3.346245268e+03 3.346245268e+03 1.12 2.977436572e+03 2.977436572e+03 1.14 2.652087203e+03 2.652087203e+03 1.16 2.364960402e+03 2.364960402e+03 1.18 2.111746562e+03 2.111746562e+03 1.20 1.888961994e+03 1.888961994e+03 1.22 1.693585821e+03 1.693585821e+03 1.24 1.522834877e+03 1.522834877e+03 1.26 1.374008572e+03 1.374008572e+03 1.28 1.244374733e+03 1.244374733e+03 1.30 1.131061165e+03 1.131061165e+03 1.32 1.031129100e+03 1.031129100e+03 1.34 9.418010507e+02 9.418010507e+02 1.36 8.607476289e+02 8.607476289e+02 1.38 7.863475555e+02 7.863475555e+02 1.40 7.176946551e+02 7.176946551e+02 1.42 6.542913742e+02 6.542913742e+02 1.44 5.957568811e+02 5.957568811e+02 1.46 5.417473192e+02 5.417473192e+02 1.48 4.919844169e+02 4.919844169e+02 1.50 4.462728031e+02 4.462728031e+02 1.52 4.044696863e+02 4.044696863e+02 1.54 3.664337412e+02 3.664337412e+02 1.56 3.319997426e+02 3.319997426e+02 1.58 3.009753493e+02 3.009753493e+02 1.60 2.731427450e+02 2.731427450e+02 1.62 2.482621180e+02 2.482621180e+02 1.64 2.260768926e+02 2.260768926e+02 1.66 2.063203538e+02 2.063203538e+02 1.68 1.887230436e+02 1.887230436e+02 1.70 1.730201817e+02 1.730201817e+02 1.72 1.589581675e+02 1.589581675e+02 1.74 1.463004093e+02 1.463004093e+02 1.76 1.348355638e+02 1.348355638e+02 1.78 1.243873540e+02 1.243873540e+02 1.80 1.148182122e+02 1.148182122e+02 1.82 1.060248810e+02 1.060248810e+02 1.84 9.792966165e+01 9.792966165e+01 1.86 9.046817172e+01 9.046817172e+01 1.88 8.357913334e+01 8.357913334e+01 1.90 7.720238714e+01 7.720238714e+01 1.92 7.128225304e+01 7.128225304e+01 1.94 6.577148124e+01 6.577148124e+01 1.96 6.063330826e+01 6.063330826e+01 1.98 5.584007330e+01 5.584007330e+01 2.00 5.136929546e+01 5.136929546e+01 2.02 4.720067397e+01 4.720067397e+01 2.04 4.331568432e+01 4.331568432e+01 2.06 3.969813238e+01 3.969813238e+01 2.08 3.633429369e+01 3.633429369e+01 2.10 3.321231028e+01 3.321231028e+01 2.12 3.032103140e+01 3.032103140e+01 2.14 2.764891534e+01 2.764891534e+01 2.16 2.518352388e+01 2.518352388e+01 2.18 2.291151734e+01 2.291151734e+01 2.20 2.081881102e+01 2.081881102e+01 2.22 1.889079794e+01 1.889079794e+01 2.24 1.711265113e+01 1.711265113e+01 2.26 1.546970543e+01 1.546970543e+01 2.28 1.394790215e+01 1.394790215e+01 2.30 1.253425989e+01 1.253425989e+01 2.32 1.121731591e+01 1.121731591e+01 2.34 9.987474591e+00 9.987474591e+00 2.36 8.837208516e+00 8.837208516e+00 2.38 7.761075015e+00 7.761075015e+00 2.40 6.755508779e+00 6.755508779e+00 2.42 5.818348612e+00 5.818348612e+00 2.44 4.948163835e+00 4.948163835e+00 2.46 4.143651831e+00 4.143651831e+00 2.48 3.403361749e+00 3.403361749e+00 2.50 2.725674145e+00 2.725674145e+00 2.52 2.108819384e+00 2.108819384e+00 2.54 1.550875331e+00 1.550875331e+00 2.56 1.049762028e+00 1.049762028e+00 2.58 6.032385084e-01 6.032385084e-01 2.60 2.089023356e-01 2.089023356e-01 2.62 -1.358076517e-01 -1.358076517e-01 2.64 -4.336048883e-01 -4.336048883e-01 2.66 -6.873444012e-01 -6.873444012e-01 2.68 -9.000073935e-01 -9.000073935e-01 2.70 -1.074680637e+00 -1.074680637e+00 2.72 -1.214530335e+00 -1.214530335e+00 2.74 -1.322770298e+00 -1.322770298e+00 2.76 -1.402624593e+00 -1.402624593e+00 2.78 -1.457285220e+00 -1.457285220e+00 2.80 -1.489865996e+00 -1.489865996e+00 2.82 -1.503354497e+00 -1.503354497e+00 2.84 -1.500564741e+00 -1.500564741e+00 2.86 -1.484094060e+00 -1.484094060e+00 2.88 -1.456288084e+00 -1.456288084e+00 2.90 -1.419217591e+00 -1.419217591e+00 2.92 -1.374669828e+00 -1.374669828e+00 2.94 -1.324154456e+00 -1.324154456e+00 2.96 -1.268921223e+00 -1.268921223e+00 2.98 -1.209984360e+00 -1.209984360e+00 3.00 -1.148150342e+00 -1.148150342e+00 3.02 -1.084052230e+00 -1.084052230e+00 3.04 -1.018200319e+00 -1.018200319e+00 3.06 -9.510537393e-01 -9.510537393e-01 3.08 -8.830970386e-01 -8.830970386e-01 3.10 -8.148887496e-01 -8.148887496e-01 3.12 -7.470586606e-01 -7.470586606e-01 3.14 -6.802646106e-01 -6.802646106e-01 3.16 -6.151462536e-01 -6.151462536e-01 3.18 -5.522990822e-01 -5.522990822e-01 3.20 -4.922616031e-01 -4.922616031e-01 3.22 -4.355051340e-01 -4.355051340e-01 3.24 -3.824239641e-01 -3.824239641e-01 3.26 -3.333261637e-01 -3.333261637e-01 3.28 -2.884255922e-01 -2.884255922e-01 3.30 -2.478357967e-01 -2.478357967e-01 3.32 -2.115666350e-01 -2.115666350e-01 3.34 -1.795245829e-01 -1.795245829e-01 3.36 -1.515177604e-01 -1.515177604e-01 3.38 -1.272666598e-01 -1.272666598e-01 3.40 -1.064212899e-01 -1.064212899e-01 3.42 -8.858484190e-02 -8.858484190e-02 3.44 -7.334290949e-02 -7.334290949e-02 3.46 -6.029572667e-02 -6.029572667e-02 3.48 -4.908900456e-02 -4.908900456e-02 3.50 -3.943733941e-02 -3.943733941e-02 3.52 -3.113394526e-02 -3.113394526e-02 3.54 -2.404299397e-02 -2.404299397e-02 3.56 -1.807665038e-02 -1.807665038e-02 3.58 -1.316584498e-02 -1.316584498e-02 3.60 -9.236665998e-03 -9.236665998e-03 3.62 -6.199028388e-03 -6.199028388e-03 3.64 -3.945513201e-03 -3.945513201e-03 3.66 -2.355144815e-03 -2.355144815e-03 3.68 -1.299442152e-03 -1.299442152e-03 3.70 -6.500375639e-04 -6.500375639e-04 3.72 -2.871973558e-04 -2.871973558e-04 3.74 -1.080523458e-04 -1.080523458e-04 3.76 -3.285171298e-05 -3.285171298e-05 3.78 -7.466479776e-06 -7.466479776e-06 3.80 -1.123764218e-06 -1.123764218e-06 3.82 -9.175951955e-08 -9.175951955e-08 3.84 -2.856713907e-09 -2.856713907e-09 3.86 -1.703315319e-11 -1.703315319e-11 3.88 -4.132732387e-15 -4.132732387e-15 3.90 -5.193291920e-22 -5.193291920e-22 3.92 -2.095320578e-40 -2.095320578e-40 3.94 -7.309172947e-242 -7.309172947e-242 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 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