# 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 = CdS2Zn # 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 1.649044325e+04 1.649044325e+04 0.96 1.446230408e+04 1.446230408e+04 0.98 1.272696924e+04 1.272696924e+04 1.00 1.124313792e+04 1.124313792e+04 1.02 9.972342703e+03 9.972342703e+03 1.04 8.879072887e+03 8.879072887e+03 1.06 7.930204496e+03 7.930204496e+03 1.08 7.097246696e+03 7.097246696e+03 1.10 6.360539540e+03 6.360539540e+03 1.12 5.706084149e+03 5.706084149e+03 1.14 5.122568894e+03 5.122568894e+03 1.16 4.601035788e+03 4.601035788e+03 1.18 4.133765277e+03 4.133765277e+03 1.20 3.713682539e+03 3.713682539e+03 1.22 3.335070741e+03 3.335070741e+03 1.24 2.994492671e+03 2.994492671e+03 1.26 2.689990217e+03 2.689990217e+03 1.28 2.419532156e+03 2.419532156e+03 1.30 2.180570641e+03 2.180570641e+03 1.32 1.970096442e+03 1.970096442e+03 1.34 1.784807901e+03 1.784807901e+03 1.36 1.621371791e+03 1.621371791e+03 1.38 1.476697484e+03 1.476697484e+03 1.40 1.348057749e+03 1.348057749e+03 1.42 1.232953197e+03 1.232953197e+03 1.44 1.128968977e+03 1.128968977e+03 1.46 1.033974965e+03 1.033974965e+03 1.48 9.464146866e+02 9.464146866e+02 1.50 8.652832265e+02 8.652832265e+02 1.52 7.899748309e+02 7.899748309e+02 1.54 7.201757187e+02 7.201757187e+02 1.56 6.557155167e+02 6.557155167e+02 1.58 5.964385229e+02 5.964385229e+02 1.60 5.421588917e+02 5.421588917e+02 1.62 4.926598637e+02 4.926598637e+02 1.64 4.477008238e+02 4.477008238e+02 1.66 4.070268909e+02 4.070268909e+02 1.68 3.703786123e+02 3.703786123e+02 1.70 3.374978561e+02 3.374978561e+02 1.72 3.081261885e+02 3.081261885e+02 1.74 2.819965453e+02 2.819965453e+02 1.76 2.588269362e+02 2.588269362e+02 1.78 2.383231440e+02 2.383231440e+02 1.80 2.201854468e+02 2.201854468e+02 1.82 2.041122674e+02 2.041122674e+02 1.84 1.897984245e+02 1.897984245e+02 1.86 1.769335841e+02 1.769335841e+02 1.88 1.652145709e+02 1.652145709e+02 1.90 1.543777791e+02 1.543777791e+02 1.92 1.442343360e+02 1.442343360e+02 1.94 1.346782993e+02 1.346782993e+02 1.96 1.256592040e+02 1.256592040e+02 1.98 1.171500113e+02 1.171500113e+02 2.00 1.091326747e+02 1.091326747e+02 2.02 1.015921789e+02 1.015921789e+02 2.04 9.451412218e+01 9.451412218e+01 2.06 8.788451221e+01 8.788451221e+01 2.08 8.168975249e+01 8.168975249e+01 2.10 7.591616223e+01 7.591616223e+01 2.12 7.054910679e+01 7.054910679e+01 2.14 6.557212025e+01 6.557212025e+01 2.16 6.096639137e+01 6.096639137e+01 2.18 5.671061176e+01 5.671061176e+01 2.20 5.278100449e+01 5.278100449e+01 2.22 4.915149400e+01 4.915149400e+01 2.24 4.579406287e+01 4.579406287e+01 2.26 4.267934373e+01 4.267934373e+01 2.28 3.977748135e+01 3.977748135e+01 2.30 3.705926620e+01 3.705926620e+01 2.32 3.449747954e+01 3.449747954e+01 2.34 3.206830206e+01 3.206830206e+01 2.36 2.975254091e+01 2.975254091e+01 2.38 2.753636419e+01 2.753636419e+01 2.40 2.541125119e+01 2.541125119e+01 2.42 2.337302693e+01 2.337302693e+01 2.44 2.142020787e+01 2.142020787e+01 2.46 1.955235442e+01 1.955235442e+01 2.48 1.776916002e+01 1.776916002e+01 2.50 1.607026152e+01 1.607026152e+01 2.52 1.445525204e+01 1.445525204e+01 2.54 1.292367656e+01 1.292367656e+01 2.56 1.147501934e+01 1.147501934e+01 2.58 1.010869108e+01 1.010869108e+01 2.60 8.824016113e+00 8.824016113e+00 2.62 7.620219637e+00 7.620219637e+00 2.64 6.496415084e+00 6.496415084e+00 2.66 5.451591736e+00 5.451591736e+00 2.68 4.484602651e+00 4.484602651e+00 2.70 3.594153042e+00 3.594153042e+00 2.72 2.778789257e+00 2.778789257e+00 2.74 2.036888536e+00 2.036888536e+00 2.76 1.366649737e+00 1.366649737e+00 2.78 7.660852785e-01 7.660852785e-01 2.80 2.330145315e-01 2.330145315e-01 2.82 -2.349410291e-01 -2.349410291e-01 2.84 -6.403606191e-01 -6.403606191e-01 2.86 -9.860245384e-01 -9.860245384e-01 2.88 -1.274911810e+00 -1.274911810e+00 2.90 -1.510194690e+00 -1.510194690e+00 2.92 -1.695229675e+00 -1.695229675e+00 2.94 -1.833544633e+00 -1.833544633e+00 2.96 -1.928821710e+00 -1.928821710e+00 2.98 -1.984875717e+00 -1.984875717e+00 3.00 -2.005627734e+00 -2.005627734e+00 3.02 -1.995073809e+00 -1.995073809e+00 3.04 -1.957248725e+00 -1.957248725e+00 3.06 -1.896184986e+00 -1.896184986e+00 3.08 -1.815867392e+00 -1.815867392e+00 3.10 -1.720183828e+00 -1.720183828e+00 3.12 -1.612873198e+00 -1.612873198e+00 3.14 -1.497471821e+00 -1.497471821e+00 3.16 -1.377259995e+00 -1.377259995e+00 3.18 -1.255210904e+00 -1.255210904e+00 3.20 -1.133944512e+00 -1.133944512e+00 3.22 -1.015689547e+00 -1.015689547e+00 3.24 -9.022570386e-01 -9.022570386e-01 3.26 -7.950289953e-01 -7.950289953e-01 3.28 -6.949655462e-01 -6.949655462e-01 3.30 -6.026328621e-01 -6.026328621e-01 3.32 -5.182521922e-01 -5.182521922e-01 3.34 -4.417672183e-01 -4.417672183e-01 3.36 -3.729230217e-01 -3.729230217e-01 3.38 -3.113465474e-01 -3.113465474e-01 3.40 -2.566175509e-01 -2.566175509e-01 3.42 -2.083218246e-01 -2.083218246e-01 3.44 -1.660828728e-01 -1.660828728e-01 3.46 -1.295704759e-01 -1.295704759e-01 3.48 -9.848743085e-02 -9.848743085e-02 3.50 -7.254377738e-02 -7.254377738e-02 3.52 -5.143088795e-02 -5.143088795e-02 3.54 -3.479811084e-02 -3.479811084e-02 3.56 -2.222880920e-02 -2.222880920e-02 3.58 -1.322136193e-02 -1.322136193e-02 3.60 -7.188509260e-03 -7.188509260e-03 3.62 -3.483759443e-03 -3.483759443e-03 3.64 -1.452142528e-03 -1.452142528e-03 3.66 -4.941440540e-04 -4.941440540e-04 3.68 -1.267810327e-04 -1.267810327e-04 3.70 -2.159320908e-05 -2.159320908e-05 3.72 -1.964322916e-06 -1.964322916e-06 3.74 -6.369668368e-08 -6.369668368e-08 3.76 -3.155347997e-10 -3.155347997e-10 3.78 -2.851092639e-14 -2.851092639e-14 3.80 -3.267869361e-23 -3.267869361e-23 3.82 -1.407973616e-59 -1.407973616e-59 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00