# 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 = CdS2Se # 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 1.952751055e+04 1.952751055e+04 0.96 1.712125806e+04 1.712125806e+04 0.98 1.505736839e+04 1.505736839e+04 1.00 1.329356324e+04 1.329356324e+04 1.02 1.179013536e+04 1.179013536e+04 1.04 1.050402084e+04 1.050402084e+04 1.06 9.389699838e+03 9.389699838e+03 1.08 8.407552958e+03 8.407552958e+03 1.10 7.532704984e+03 7.532704984e+03 1.12 6.751714227e+03 6.751714227e+03 1.14 6.055298230e+03 6.055298230e+03 1.16 5.435008344e+03 5.435008344e+03 1.18 4.881617715e+03 4.881617715e+03 1.20 4.385285965e+03 4.385285965e+03 1.22 3.937622546e+03 3.937622546e+03 1.24 3.533648970e+03 3.533648970e+03 1.26 3.171152624e+03 3.171152624e+03 1.28 2.848432997e+03 2.848432997e+03 1.30 2.563316433e+03 2.563316433e+03 1.32 2.313059811e+03 2.313059811e+03 1.34 2.094423775e+03 2.094423775e+03 1.36 1.903810766e+03 1.903810766e+03 1.38 1.737426888e+03 1.737426888e+03 1.40 1.591397415e+03 1.591397415e+03 1.42 1.461817286e+03 1.461817286e+03 1.44 1.344922196e+03 1.344922196e+03 1.46 1.237580076e+03 1.237580076e+03 1.48 1.137744549e+03 1.137744549e+03 1.50 1.044344330e+03 1.044344330e+03 1.52 9.568478211e+02 9.568478211e+02 1.54 8.750045561e+02 8.750045561e+02 1.56 7.987037389e+02 7.987037389e+02 1.58 7.278533772e+02 7.278533772e+02 1.60 6.623348528e+02 6.623348528e+02 1.62 6.020020035e+02 6.020020035e+02 1.64 5.466882226e+02 5.466882226e+02 1.66 4.962159018e+02 4.962159018e+02 1.68 4.504052799e+02 4.504052799e+02 1.70 4.090781037e+02 4.090781037e+02 1.72 3.720516603e+02 3.720516603e+02 1.74 3.391232167e+02 3.391232167e+02 1.76 3.100528930e+02 3.100528930e+02 1.78 2.845523394e+02 2.845523394e+02 1.80 2.622778711e+02 2.622778711e+02 1.82 2.428285442e+02 2.428285442e+02 1.84 2.257540932e+02 2.257540932e+02 1.86 2.105780132e+02 2.105780132e+02 1.88 1.968395899e+02 1.968395899e+02 1.90 1.841503918e+02 1.841503918e+02 1.92 1.722429851e+02 1.722429851e+02 1.94 1.609775887e+02 1.609775887e+02 1.96 1.502991565e+02 1.502991565e+02 1.98 1.401879692e+02 1.401879692e+02 2.00 1.306354403e+02 1.306354403e+02 2.02 1.216352251e+02 1.216352251e+02 2.04 1.131799671e+02 1.131799671e+02 2.06 1.052605161e+02 1.052605161e+02 2.08 9.786565616e+01 9.786565616e+01 2.10 9.098184755e+01 9.098184755e+01 2.12 8.459298190e+01 8.459298190e+01 2.14 7.868016314e+01 7.868016314e+01 2.16 7.322153432e+01 7.322153432e+01 2.18 6.819217711e+01 6.819217711e+01 2.20 6.356412010e+01 6.356412010e+01 2.22 5.930650103e+01 5.930650103e+01 2.24 5.538593552e+01 5.538593552e+01 2.26 5.176714548e+01 5.176714548e+01 2.28 4.841388783e+01 4.841388783e+01 2.30 4.529018984e+01 4.529018984e+01 2.32 4.236183424e+01 4.236183424e+01 2.34 3.959794694e+01 3.959794694e+01 2.36 3.697244123e+01 3.697244123e+01 2.38 3.446500402e+01 3.446500402e+01 2.40 3.206132300e+01 3.206132300e+01 2.42 2.975239496e+01 2.975239496e+01 2.44 2.753308577e+01 2.753308577e+01 2.46 2.540056839e+01 2.540056839e+01 2.48 2.335332516e+01 2.335332516e+01 2.50 2.139070112e+01 2.139070112e+01 2.52 1.951255417e+01 1.951255417e+01 2.54 1.771891548e+01 1.771891548e+01 2.56 1.600979129e+01 1.600979129e+01 2.58 1.438511160e+01 1.438511160e+01 2.60 1.284472849e+01 1.284472849e+01 2.62 1.138840749e+01 1.138840749e+01 2.64 1.001581306e+01 1.001581306e+01 2.66 8.726493367e+00 8.726493367e+00 2.68 7.519864904e+00 7.519864904e+00 2.70 6.395197075e+00 6.395197075e+00 2.72 5.351596901e+00 5.351596901e+00 2.74 4.387993983e+00 4.387993983e+00 2.76 3.503125949e+00 3.503125949e+00 2.78 2.695524618e+00 2.695524618e+00 2.80 1.963503186e+00 1.963503186e+00 2.82 1.305144780e+00 1.305144780e+00 2.84 7.182927769e-01 7.182927769e-01 2.86 2.005433633e-01 2.005433633e-01 2.88 -2.507591539e-01 -2.507591539e-01 2.90 -6.385236962e-01 -6.385236962e-01 2.92 -9.659097847e-01 -9.659097847e-01 2.94 -1.236320250e+00 -1.236320250e+00 2.96 -1.453388566e+00 -1.453388566e+00 2.98 -1.620960081e+00 -1.620960081e+00 3.00 -1.743066461e+00 -1.743066461e+00 3.02 -1.823892712e+00 -1.823892712e+00 3.04 -1.867736339e+00 -1.867736339e+00 3.06 -1.878958385e+00 -1.878958385e+00 3.08 -1.861926522e+00 -1.861926522e+00 3.10 -1.820950840e+00 -1.820950840e+00 3.12 -1.760213749e+00 -1.760213749e+00 3.14 -1.683696342e+00 -1.683696342e+00 3.16 -1.595104803e+00 -1.595104803e+00 3.18 -1.497801853e+00 -1.497801853e+00 3.20 -1.394749710e+00 -1.394749710e+00 3.22 -1.288472254e+00 -1.288472254e+00 3.24 -1.181044261e+00 -1.181044261e+00 3.26 -1.074113876e+00 -1.074113876e+00 3.28 -9.689594944e-01 -9.689594944e-01 3.30 -8.665735351e-01 -8.665735351e-01 3.32 -7.677548111e-01 -7.677548111e-01 3.34 -6.731846391e-01 -6.731846391e-01 3.36 -5.834688996e-01 -5.834688996e-01 3.38 -4.991515060e-01 -4.991515060e-01 3.40 -4.207236568e-01 -4.207236568e-01 3.42 -3.486395953e-01 -3.486395953e-01 3.44 -2.833212984e-01 -2.833212984e-01 3.46 -2.251346306e-01 -2.251346306e-01 3.48 -1.743402096e-01 -1.743402096e-01 3.50 -1.310387303e-01 -1.310387303e-01 3.52 -9.513215174e-02 -9.513215174e-02 3.54 -6.630817265e-02 -6.630817265e-02 3.56 -4.404324153e-02 -4.404324153e-02 3.58 -2.762101175e-02 -2.762101175e-02 3.60 -1.616817970e-02 -1.616817970e-02 3.62 -8.710173581e-03 -8.710173581e-03 3.64 -4.246189446e-03 -4.246189446e-03 3.66 -1.836992181e-03 -1.836992181e-03 3.68 -6.901556727e-04 -6.901556727e-04 3.70 -2.195365333e-04 -2.195365333e-04 3.72 -5.680284410e-05 -5.680284410e-05 3.74 -1.100017056e-05 -1.100017056e-05 3.76 -1.359178809e-06 -1.359178809e-06 3.78 -8.244304136e-08 -8.244304136e-08 3.80 -1.564023127e-09 -1.564023127e-09 3.82 -3.727576534e-12 -3.727576534e-12 3.84 -1.232725013e-16 -1.232725013e-16 3.86 -4.989285977e-26 -4.989285977e-26 3.88 -3.316719950e-58 -3.316719950e-58 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 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