# 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 = CdHg2Se # 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 1.140591858e+04 1.140591858e+04 0.96 1.002182404e+04 1.002182404e+04 0.98 8.832454520e+03 8.832454520e+03 1.00 7.810635005e+03 7.810635005e+03 1.02 6.933186830e+03 6.933186830e+03 1.04 6.177766489e+03 6.177766489e+03 1.06 5.521568461e+03 5.521568461e+03 1.08 4.943740706e+03 4.943740706e+03 1.10 4.428956969e+03 4.428956969e+03 1.12 3.968159455e+03 3.968159455e+03 1.14 3.555956126e+03 3.555956126e+03 1.16 3.188019532e+03 3.188019532e+03 1.18 2.859976358e+03 2.859976358e+03 1.20 2.567276296e+03 2.567276296e+03 1.22 2.305663848e+03 2.305663848e+03 1.24 2.071777712e+03 2.071777712e+03 1.26 1.863152509e+03 1.863152509e+03 1.28 1.677696589e+03 1.677696589e+03 1.30 1.513464352e+03 1.513464352e+03 1.32 1.368616685e+03 1.368616685e+03 1.34 1.241336692e+03 1.241336692e+03 1.36 1.129771442e+03 1.129771442e+03 1.38 1.031962330e+03 1.031962330e+03 1.40 9.457805447e+02 9.457805447e+02 1.42 8.689935072e+02 8.689935072e+02 1.44 7.994856970e+02 7.994856970e+02 1.46 7.355498750e+02 7.355498750e+02 1.48 6.760913565e+02 6.760913565e+02 1.50 6.205656533e+02 6.205656533e+02 1.52 5.687046850e+02 5.687046850e+02 1.54 5.203333707e+02 5.203333707e+02 1.56 4.753257453e+02 4.753257453e+02 1.58 4.335774312e+02 4.335774312e+02 1.60 3.949845377e+02 3.949845377e+02 1.62 3.594408219e+02 3.594408219e+02 1.64 3.268405097e+02 3.268405097e+02 1.66 2.970784574e+02 2.970784574e+02 1.68 2.700460665e+02 2.700460665e+02 1.70 2.456252208e+02 2.456252208e+02 1.72 2.236843333e+02 2.236843333e+02 1.74 2.040771701e+02 2.040771701e+02 1.76 1.866418892e+02 1.866418892e+02 1.78 1.711989267e+02 1.711989267e+02 1.80 1.575487928e+02 1.575487928e+02 1.82 1.454727240e+02 1.454727240e+02 1.84 1.347388916e+02 1.347388916e+02 1.86 1.251149981e+02 1.251149981e+02 1.88 1.163865157e+02 1.163865157e+02 1.90 1.083765246e+02 1.083765246e+02 1.92 1.009581696e+02 1.009581696e+02 1.94 9.405067567e+01 9.405067567e+01 1.96 8.760163285e+01 8.760163285e+01 1.98 8.157134054e+01 8.157134054e+01 2.00 7.592809147e+01 7.592809147e+01 2.02 7.064827415e+01 7.064827415e+01 2.04 6.571502724e+01 6.571502724e+01 2.06 6.111495737e+01 6.111495737e+01 2.08 5.683500525e+01 5.683500525e+01 2.10 5.286103484e+01 5.286103484e+01 2.12 4.917757407e+01 4.917757407e+01 2.14 4.576781204e+01 4.576781204e+01 2.16 4.261367286e+01 4.261367286e+01 2.18 3.969598380e+01 3.969598380e+01 2.20 3.699476026e+01 3.699476026e+01 2.22 3.448962431e+01 3.448962431e+01 2.24 3.216035657e+01 3.216035657e+01 2.26 2.998755096e+01 2.998755096e+01 2.28 2.795329652e+01 2.795329652e+01 2.30 2.604175937e+01 2.604175937e+01 2.32 2.423950803e+01 2.423950803e+01 2.34 2.253545979e+01 2.253545979e+01 2.36 2.092046412e+01 2.092046412e+01 2.38 1.938674486e+01 1.938674486e+01 2.40 1.792752894e+01 1.792752894e+01 2.42 1.653701944e+01 1.653701944e+01 2.44 1.521056144e+01 1.521056144e+01 2.46 1.394475643e+01 1.394475643e+01 2.48 1.273740000e+01 1.273740000e+01 2.50 1.158722652e+01 1.158722652e+01 2.52 1.049353073e+01 1.049353073e+01 2.54 9.455811149e+00 9.455811149e+00 2.56 8.473565469e+00 8.473565469e+00 2.58 7.546238973e+00 7.546238973e+00 2.60 6.673226777e+00 6.673226777e+00 2.62 5.853870677e+00 5.853870677e+00 2.64 5.087450670e+00 5.087450670e+00 2.66 4.373176080e+00 4.373176080e+00 2.68 3.710176876e+00 3.710176876e+00 2.70 3.097495292e+00 3.097495292e+00 2.72 2.534077854e+00 2.534077854e+00 2.74 2.018767928e+00 2.018767928e+00 2.76 1.550298949e+00 1.550298949e+00 2.78 1.127288515e+00 1.127288515e+00 2.80 7.482335260e-01 7.482335260e-01 2.82 4.115066303e-01 4.115066303e-01 2.84 1.153542137e-01 1.153542137e-01 2.86 -1.421037617e-01 -1.421037617e-01 2.88 -3.628717577e-01 -3.628717577e-01 2.90 -5.490741562e-01 -5.490741562e-01 2.92 -7.029478943e-01 -7.029478943e-01 2.94 -8.268318722e-01 -8.268318722e-01 2.96 -9.231527766e-01 -9.231527766e-01 2.98 -9.944069928e-01 -9.944069928e-01 3.00 -1.043138334e+00 -1.043138334e+00 3.02 -1.071911420e+00 -1.071911420e+00 3.04 -1.083280678e+00 -1.083280678e+00 3.06 -1.079755185e+00 -1.079755185e+00 3.08 -1.063759851e+00 -1.063759851e+00 3.10 -1.037593905e+00 -1.037593905e+00 3.12 -1.003388211e+00 -1.003388211e+00 3.14 -9.630636560e-01 -9.630636560e-01 3.16 -9.182937891e-01 -9.182937891e-01 3.18 -8.704758557e-01 -8.704758557e-01 3.20 -8.207153548e-01 -8.207153548e-01 3.22 -7.698297863e-01 -7.698297863e-01 3.24 -7.183767898e-01 -7.183767898e-01 3.26 -6.667094136e-01 -6.667094136e-01 3.28 -6.150557456e-01 -6.150557456e-01 3.30 -5.636112029e-01 -5.636112029e-01 3.32 -5.126214699e-01 -5.126214699e-01 3.34 -4.624290128e-01 -4.624290128e-01 3.36 -4.134663390e-01 -4.134663390e-01 3.38 -3.662074609e-01 -3.662074609e-01 3.40 -3.211139633e-01 -3.211139633e-01 3.42 -2.786022481e-01 -2.786022481e-01 3.44 -2.390282850e-01 -2.390282850e-01 3.46 -2.026779599e-01 -2.026779599e-01 3.48 -1.697588814e-01 -1.697588814e-01 3.50 -1.403935361e-01 -1.403935361e-01 3.52 -1.146144625e-01 -1.146144625e-01 3.54 -9.236232173e-02 -9.236232173e-02 3.56 -7.348788816e-02 -7.348788816e-02 3.58 -5.775904426e-02 -5.775904426e-02 3.60 -4.487374399e-02 -4.487374399e-02 3.62 -3.447945311e-02 -3.447945311e-02 3.64 -2.619859957e-02 -2.619859957e-02 3.66 -1.965794793e-02 -1.965794793e-02 3.68 -1.451767247e-02 -1.451767247e-02 3.70 -1.049392022e-02 -1.049392022e-02 3.72 -7.368295225e-03 -7.368295225e-03 3.74 -4.980832916e-03 -4.980832916e-03 3.76 -3.210140877e-03 -3.210140877e-03 3.78 -1.951679339e-03 -1.951679339e-03 3.80 -1.105219684e-03 -1.105219684e-03 3.82 -5.735658283e-04 -5.735658283e-04 3.84 -2.669493341e-04 -2.669493341e-04 3.86 -1.081977682e-04 -1.081977682e-04 3.88 -3.665446958e-05 -3.665446958e-05 3.90 -9.783510046e-06 -9.783510046e-06 3.92 -1.883610320e-06 -1.883610320e-06 3.94 -2.278738403e-07 -2.278738403e-07 3.96 -1.378475803e-08 -1.378475803e-08 3.98 -2.774036614e-10 -2.774036614e-10 4.00 -8.302802831e-13 -8.302802831e-13 4.02 -5.850983290e-17 -5.850983290e-17 4.04 -4.601368580e-25 -4.601368580e-25 4.06 -6.938677934e-48 -6.938677934e-48 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 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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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