# 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 = Cd2HgZn # 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 7.308421940e+03 7.308421940e+03 0.96 6.420813457e+03 6.420813457e+03 0.98 5.655078105e+03 5.655078105e+03 1.00 4.994276547e+03 4.994276547e+03 1.02 4.423159808e+03 4.423159808e+03 1.04 3.928802318e+03 3.928802318e+03 1.06 3.499830622e+03 3.499830622e+03 1.08 3.125501249e+03 3.125501249e+03 1.10 2.795951992e+03 2.795951992e+03 1.12 2.503128022e+03 2.503128022e+03 1.14 2.241621726e+03 2.241621726e+03 1.16 2.008338173e+03 2.008338173e+03 1.18 1.801043189e+03 1.801043189e+03 1.20 1.617551107e+03 1.617551107e+03 1.22 1.455514607e+03 1.455514607e+03 1.24 1.312359214e+03 1.312359214e+03 1.26 1.185427037e+03 1.185427037e+03 1.28 1.072329007e+03 1.072329007e+03 1.30 9.712545662e+02 9.712545662e+02 1.32 8.809153463e+02 8.809153463e+02 1.34 8.002608669e+02 8.002608669e+02 1.36 7.283542016e+02 7.283542016e+02 1.38 6.643182959e+02 6.643182959e+02 1.40 6.072523230e+02 6.072523230e+02 1.42 5.562063915e+02 5.562063915e+02 1.44 5.102386871e+02 5.102386871e+02 1.46 4.684927685e+02 4.684927685e+02 1.48 4.302420728e+02 4.302420728e+02 1.50 3.948982307e+02 3.948982307e+02 1.52 3.620217977e+02 3.620217977e+02 1.54 3.313333172e+02 3.313333172e+02 1.56 3.026864705e+02 3.026864705e+02 1.58 2.759979392e+02 2.759979392e+02 1.60 2.511960381e+02 2.511960381e+02 1.62 2.282118944e+02 2.282118944e+02 1.64 2.069824063e+02 2.069824063e+02 1.66 1.874512184e+02 1.874512184e+02 1.68 1.695655160e+02 1.695655160e+02 1.70 1.532699654e+02 1.532699654e+02 1.72 1.385017896e+02 1.385017896e+02 1.74 1.251890629e+02 1.251890629e+02 1.76 1.132508518e+02 1.132508518e+02 1.78 1.025980307e+02 1.025980307e+02 1.80 9.313467197e+01 9.313467197e+01 1.82 8.476004125e+01 8.476004125e+01 1.84 7.737105819e+01 7.737105819e+01 1.86 7.086476435e+01 7.086476435e+01 1.88 6.514002407e+01 6.514002407e+01 1.90 6.009790332e+01 6.009790332e+01 1.92 5.564139301e+01 5.564139301e+01 1.94 5.167626882e+01 5.167626882e+01 1.96 4.811415453e+01 4.811415453e+01 1.98 4.487760498e+01 4.487760498e+01 2.00 4.190574867e+01 4.190574867e+01 2.02 3.915719218e+01 3.915719218e+01 2.04 3.660730274e+01 3.660730274e+01 2.06 3.424106377e+01 3.424106377e+01 2.08 3.204680394e+01 3.204680394e+01 2.10 3.001367769e+01 3.001367769e+01 2.12 2.813089296e+01 2.813089296e+01 2.14 2.638721081e+01 2.638721081e+01 2.16 2.477075258e+01 2.477075258e+01 2.18 2.326909552e+01 2.326909552e+01 2.20 2.186950396e+01 2.186950396e+01 2.22 2.055925632e+01 2.055925632e+01 2.24 1.932607314e+01 1.932607314e+01 2.26 1.815862764e+01 1.815862764e+01 2.28 1.704708309e+01 1.704708309e+01 2.30 1.598355704e+01 1.598355704e+01 2.32 1.496237740e+01 1.496237740e+01 2.34 1.398000457e+01 1.398000457e+01 2.36 1.303458680e+01 1.303458680e+01 2.38 1.212528964e+01 1.212528964e+01 2.40 1.125168409e+01 1.125168409e+01 2.42 1.041341760e+01 1.041341760e+01 2.44 9.610138176e+00 9.610138176e+00 2.46 8.841499256e+00 8.841499256e+00 2.48 8.107159876e+00 8.107159876e+00 2.50 7.406779841e+00 7.406779841e+00 2.52 6.740014530e+00 6.740014530e+00 2.54 6.106509738e+00 6.106509738e+00 2.56 5.505896575e+00 5.505896575e+00 2.58 4.937786400e+00 4.937786400e+00 2.60 4.401765828e+00 4.401765828e+00 2.62 3.897391815e+00 3.897391815e+00 2.64 3.424186843e+00 3.424186843e+00 2.66 2.981634255e+00 2.981634255e+00 2.68 2.569173751e+00 2.569173751e+00 2.70 2.186197137e+00 2.186197137e+00 2.72 1.832044345e+00 1.832044345e+00 2.74 1.505999833e+00 1.505999833e+00 2.76 1.207289438e+00 1.207289438e+00 2.78 9.350777714e-01 9.350777714e-01 2.80 6.884662945e-01 6.884662945e-01 2.82 4.664921896e-01 4.664921896e-01 2.84 2.681281766e-01 2.681281766e-01 2.86 9.228343995e-02 9.228343995e-02 2.88 -6.219416091e-02 -6.219416091e-02 2.90 -1.965144071e-01 -1.965144071e-01 2.92 -3.119393686e-01 -3.119393686e-01 2.94 -4.097761898e-01 -4.097761898e-01 2.96 -4.913678301e-01 -4.913678301e-01 2.98 -5.580816056e-01 -5.580816056e-01 3.00 -6.112954323e-01 -6.112954323e-01 3.02 -6.523817593e-01 -6.523817593e-01 3.04 -6.826893161e-01 -6.826893161e-01 3.06 -7.035229970e-01 -7.035229970e-01 3.08 -7.161224771e-01 -7.161224771e-01 3.10 -7.216405177e-01 -7.216405177e-01 3.12 -7.211223553e-01 -7.211223553e-01 3.14 -7.154880564e-01 -7.154880564e-01 3.16 -7.055201541e-01 -7.055201541e-01 3.18 -6.918591025e-01 -6.918591025e-01 3.20 -6.750088072e-01 -6.750088072e-01 3.22 -6.553534011e-01 -6.553534011e-01 3.24 -6.331843061e-01 -6.331843061e-01 3.26 -6.087337059e-01 -6.087337059e-01 3.28 -5.822079909e-01 -5.822079909e-01 3.30 -5.538145631e-01 -5.538145631e-01 3.32 -5.237789427e-01 -5.237789427e-01 3.34 -4.923540705e-01 -4.923540705e-01 3.36 -4.598244908e-01 -4.598244908e-01 3.38 -4.265045293e-01 -4.265045293e-01 3.40 -3.927294392e-01 -3.927294392e-01 3.42 -3.588428775e-01 -3.588428775e-01 3.44 -3.251859093e-01 -3.251859093e-01 3.46 -2.920898068e-01 -2.920898068e-01 3.48 -2.598712809e-01 -2.598712809e-01 3.50 -2.288282677e-01 -2.288282677e-01 3.52 -1.992356226e-01 -1.992356226e-01 3.54 -1.713406985e-01 -1.713406985e-01 3.56 -1.453588892e-01 -1.453588892e-01 3.58 -1.214692479e-01 -1.214692479e-01 3.60 -9.981031057e-02 -9.981031057e-02 3.62 -8.047628988e-02 -8.047628988e-02 3.64 -6.351384236e-02 -6.351384236e-02 3.66 -4.891965975e-02 -4.891965975e-02 3.68 -3.663919489e-02 -3.663919489e-02 3.70 -2.656689759e-02 -2.656689759e-02 3.72 -1.854840032e-02 -1.854840032e-02 3.74 -1.238513493e-02 -1.238513493e-02 3.76 -7.841843303e-03 -7.841843303e-03 3.78 -4.657306336e-03 -4.657306336e-03 3.80 -2.558281252e-03 -2.558281252e-03 3.82 -1.276031603e-03 -1.276031603e-03 3.84 -5.639393549e-04 -5.639393549e-04 3.86 -2.136371324e-04 -2.136371324e-04 3.88 -6.629200025e-05 -6.629200025e-05 3.90 -1.581933832e-05 -1.581933832e-05 3.92 -2.657741133e-06 -2.657741133e-06 3.94 -2.772930418e-07 -2.772930418e-07 3.96 -1.480877257e-08 -1.480877257e-08 3.98 -2.802989597e-10 -2.802989597e-10 4.00 -8.304220959e-13 -8.304220959e-13 4.02 -5.850983310e-17 -5.850983310e-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