# 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 = Cd2HgSe # 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 1.212603737e+04 1.212603737e+04 0.96 1.065881038e+04 1.065881038e+04 0.98 9.391664496e+03 9.391664496e+03 1.00 8.297854640e+03 8.297854640e+03 1.02 7.352955416e+03 7.352955416e+03 1.04 6.535570787e+03 6.535570787e+03 1.06 5.825342770e+03 5.825342770e+03 1.08 5.203016404e+03 5.203016404e+03 1.10 4.651484925e+03 4.651484925e+03 1.12 4.158016898e+03 4.158016898e+03 1.14 3.715967228e+03 3.715967228e+03 1.16 3.322018412e+03 3.322018412e+03 1.18 2.973084199e+03 2.973084199e+03 1.20 2.665451331e+03 2.665451331e+03 1.22 2.394645020e+03 2.394645020e+03 1.24 2.155709812e+03 2.155709812e+03 1.26 1.943942272e+03 1.943942272e+03 1.28 1.755701369e+03 1.755701369e+03 1.30 1.588525695e+03 1.588525695e+03 1.32 1.440453898e+03 1.440453898e+03 1.34 1.309558425e+03 1.309558425e+03 1.36 1.193889681e+03 1.193889681e+03 1.38 1.091484009e+03 1.091484009e+03 1.40 1.000381982e+03 1.000381982e+03 1.42 9.187413044e+02 9.187413044e+02 1.44 8.449722891e+02 8.449722891e+02 1.46 7.777298038e+02 7.777298038e+02 1.48 7.158320882e+02 7.158320882e+02 1.50 6.583099033e+02 6.583099033e+02 1.52 6.045226055e+02 6.045226055e+02 1.54 5.541570682e+02 5.541570682e+02 1.56 5.070791658e+02 5.070791658e+02 1.58 4.631976961e+02 4.631976961e+02 1.60 4.224205029e+02 4.224205029e+02 1.62 3.846508747e+02 3.846508747e+02 1.64 3.497910146e+02 3.497910146e+02 1.66 3.177434172e+02 3.177434172e+02 1.68 2.884080461e+02 2.884080461e+02 1.70 2.616768594e+02 2.616768594e+02 1.72 2.374301269e+02 2.374301269e+02 1.74 2.155365715e+02 2.155365715e+02 1.76 1.958551318e+02 1.958551318e+02 1.78 1.782365268e+02 1.782365268e+02 1.80 1.625249779e+02 1.625249779e+02 1.82 1.485611578e+02 1.485611578e+02 1.84 1.361852744e+02 1.361852744e+02 1.86 1.252366931e+02 1.252366931e+02 1.88 1.155494287e+02 1.155494287e+02 1.90 1.069491422e+02 1.069491422e+02 1.92 9.925702673e+01 9.925702673e+01 1.94 9.229995192e+01 9.229995192e+01 1.96 8.592485398e+01 8.592485398e+01 1.98 8.001398317e+01 8.001398317e+01 2.00 7.449313860e+01 7.449313860e+01 2.02 6.932506994e+01 6.932506994e+01 2.04 6.449208533e+01 6.449208533e+01 2.06 5.998223847e+01 5.998223847e+01 2.08 5.578393318e+01 5.578393318e+01 2.10 5.188444029e+01 5.188444029e+01 2.12 4.826963053e+01 4.826963053e+01 2.14 4.492395103e+01 4.492395103e+01 2.16 4.183047097e+01 4.183047097e+01 2.18 3.897101354e+01 3.897101354e+01 2.20 3.632639856e+01 3.632639856e+01 2.22 3.387681623e+01 3.387681623e+01 2.24 3.160234002e+01 3.160234002e+01 2.26 2.948356124e+01 2.948356124e+01 2.28 2.750228641e+01 2.750228641e+01 2.30 2.564218682e+01 2.564218682e+01 2.32 2.388924686e+01 2.388924686e+01 2.34 2.223186491e+01 2.223186491e+01 2.36 2.066056236e+01 2.066056236e+01 2.38 1.916745297e+01 1.916745297e+01 2.40 1.774579000e+01 1.774579000e+01 2.42 1.638983628e+01 1.638983628e+01 2.44 1.509499302e+01 1.509499302e+01 2.46 1.385792561e+01 1.385792561e+01 2.48 1.267651499e+01 1.267651499e+01 2.50 1.154960670e+01 1.154960670e+01 2.52 1.047662678e+01 1.047662678e+01 2.54 9.457212573e+00 9.457212573e+00 2.56 8.490995756e+00 8.490995756e+00 2.58 7.577543751e+00 7.577543751e+00 2.60 6.716359818e+00 6.716359818e+00 2.62 5.906879409e+00 5.906879409e+00 2.64 5.148461401e+00 5.148461401e+00 2.66 4.440378977e+00 4.440378977e+00 2.68 3.781810752e+00 3.781810752e+00 2.70 3.171832318e+00 3.171832318e+00 2.72 2.609408341e+00 2.609408341e+00 2.74 2.093385416e+00 2.093385416e+00 2.76 1.622485911e+00 1.622485911e+00 2.78 1.195303061e+00 1.195303061e+00 2.80 8.102976342e-01 8.102976342e-01 2.82 4.657965388e-01 4.657965388e-01 2.84 1.599937658e-01 1.599937658e-01 2.86 -1.090458565e-01 -1.090458565e-01 2.88 -3.433795997e-01 -3.433795997e-01 2.90 -5.451759293e-01 -5.451759293e-01 2.92 -7.166992058e-01 -7.166992058e-01 2.94 -8.602894752e-01 -8.602894752e-01 2.96 -9.783369137e-01 -9.783369137e-01 2.98 -1.073250670e+00 -1.073250670e+00 3.00 -1.147422166e+00 -1.147422166e+00 3.02 -1.203183417e+00 -1.203183417e+00 3.04 -1.242761703e+00 -1.242761703e+00 3.06 -1.268232955e+00 -1.268232955e+00 3.08 -1.281477598e+00 -1.281477598e+00 3.10 -1.284144019e+00 -1.284144019e+00 3.12 -1.277626144e+00 -1.277626144e+00 3.14 -1.263061794e+00 -1.263061794e+00 3.16 -1.241356671e+00 -1.241356671e+00 3.18 -1.213233590e+00 -1.213233590e+00 3.20 -1.179297988e+00 -1.179297988e+00 3.22 -1.140101470e+00 -1.140101470e+00 3.24 -1.096182813e+00 -1.096182813e+00 3.26 -1.048078175e+00 -1.048078175e+00 3.28 -9.963150101e-01 -9.963150101e-01 3.30 -9.414131513e-01 -9.414131513e-01 3.32 -8.838990445e-01 -8.838990445e-01 3.34 -8.243222677e-01 -8.243222677e-01 3.36 -7.632650676e-01 -7.632650676e-01 3.38 -7.013414008e-01 -7.013414008e-01 3.40 -6.391863204e-01 -6.391863204e-01 3.42 -5.774403760e-01 -5.774403760e-01 3.44 -5.167346543e-01 -5.167346543e-01 3.46 -4.576789664e-01 -4.576789664e-01 3.48 -4.008519558e-01 -4.008519558e-01 3.50 -3.467913341e-01 -3.467913341e-01 3.52 -2.959836768e-01 -2.959836768e-01 3.54 -2.488538725e-01 -2.488538725e-01 3.56 -2.057544760e-01 -2.057544760e-01 3.58 -1.669553002e-01 -1.669553002e-01 3.60 -1.326336925e-01 -1.326336925e-01 3.62 -1.028660797e-01 -1.028660797e-01 3.64 -7.762154147e-02 -7.762154147e-02 3.66 -5.675838110e-02 -5.675838110e-02 3.68 -4.002489498e-02 -4.002489498e-02 3.70 -2.706574342e-02 -2.706574342e-02 3.72 -1.743539956e-02 -1.743539956e-02 3.74 -1.061991778e-02 -1.061991778e-02 3.76 -6.067458982e-03 -6.067458982e-03 3.78 -3.226347583e-03 -3.226347583e-03 3.80 -1.586785205e-03 -1.586785205e-03 3.82 -7.191208421e-04 -7.191208421e-04 3.84 -2.992363584e-04 -2.992363584e-04 3.86 -1.127786989e-04 -1.127786989e-04 3.88 -3.698374743e-05 -3.698374743e-05 3.90 -9.791314685e-06 -9.791314685e-06 3.92 -1.883635432e-06 -1.883635432e-06 3.94 -2.278738415e-07 -2.278738415e-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 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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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