# 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 = CdHg2Zn # 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 6.856228632e+03 6.856228632e+03 0.96 6.023498260e+03 6.023498260e+03 0.98 5.307512596e+03 5.307512596e+03 1.00 4.691039324e+03 4.691039324e+03 1.02 4.159435900e+03 4.159435900e+03 1.04 3.700280489e+03 3.700280489e+03 1.06 3.302040924e+03 3.302040924e+03 1.08 2.953699204e+03 2.953699204e+03 1.10 2.645684205e+03 2.645684205e+03 1.12 2.371193362e+03 2.371193362e+03 1.14 2.126041632e+03 2.126041632e+03 1.16 1.907380516e+03 1.907380516e+03 1.18 1.712740154e+03 1.712740154e+03 1.20 1.539689125e+03 1.539689125e+03 1.22 1.385797628e+03 1.385797628e+03 1.24 1.248744246e+03 1.248744246e+03 1.26 1.126491915e+03 1.126491915e+03 1.28 1.017363343e+03 1.017363343e+03 1.30 9.199749634e+02 9.199749634e+02 1.32 8.331645042e+02 8.331645042e+02 1.34 7.559217993e+02 7.559217993e+02 1.36 6.873447218e+02 6.873447218e+02 1.38 6.265701049e+02 6.265701049e+02 1.40 5.726789129e+02 5.726789129e+02 1.42 5.246677013e+02 5.246677013e+02 1.44 4.815016946e+02 4.815016946e+02 1.46 4.422161857e+02 4.422161857e+02 1.48 4.060332675e+02 4.060332675e+02 1.50 3.724329276e+02 3.724329276e+02 1.52 3.411211962e+02 3.411211962e+02 1.54 3.119320026e+02 3.119320026e+02 1.56 2.847575274e+02 2.847575274e+02 1.58 2.595142051e+02 2.595142051e+02 1.60 2.361245661e+02 2.361245661e+02 1.62 2.145152754e+02 2.145152754e+02 1.64 1.946198079e+02 1.946198079e+02 1.66 1.763784624e+02 1.763784624e+02 1.68 1.597343154e+02 1.597343154e+02 1.70 1.446271961e+02 1.446271961e+02 1.72 1.309895076e+02 1.309895076e+02 1.74 1.187449102e+02 1.187449102e+02 1.76 1.078082527e+02 1.078082527e+02 1.78 9.808588898e+01 9.808588898e+01 1.80 8.947636370e+01 8.947636370e+01 1.82 8.187161704e+01 8.187161704e+01 1.84 7.515891905e+01 7.515891905e+01 1.86 6.922377024e+01 6.922377024e+01 1.88 6.395390193e+01 6.395390193e+01 1.90 5.924416830e+01 5.924416830e+01 1.92 5.500151325e+01 5.500151325e+01 1.94 5.114858219e+01 5.114858219e+01 1.96 4.762459639e+01 4.762459639e+01 1.98 4.438336983e+01 4.438336983e+01 2.00 4.139011042e+01 4.139011042e+01 2.02 3.861891121e+01 3.861891121e+01 2.04 3.605083745e+01 3.605083745e+01 2.06 3.367141081e+01 3.367141081e+01 2.08 3.146817434e+01 3.146817434e+01 2.10 2.942938509e+01 2.942938509e+01 2.12 2.754336543e+01 2.754336543e+01 2.14 2.579804705e+01 2.579804705e+01 2.16 2.418082230e+01 2.418082230e+01 2.18 2.267867564e+01 2.267867564e+01 2.20 2.127844784e+01 2.127844784e+01 2.22 1.996719417e+01 1.996719417e+01 2.24 1.873263555e+01 1.873263555e+01 2.26 1.756367326e+01 1.756367326e+01 2.28 1.645089788e+01 1.645089788e+01 2.30 1.538698148e+01 1.538698148e+01 2.32 1.436681853e+01 1.436681853e+01 2.34 1.338731501e+01 1.338731501e+01 2.36 1.244684690e+01 1.244684690e+01 2.38 1.154458542e+01 1.154458542e+01 2.40 1.067997442e+01 1.067997442e+01 2.42 9.852501929e+00 9.852501929e+00 2.44 9.061664444e+00 9.061664444e+00 2.46 8.306971677e+00 8.306971677e+00 2.48 7.587944248e+00 7.587944248e+00 2.50 6.904108358e+00 6.904108358e+00 2.52 6.254990379e+00 6.254990379e+00 2.54 5.640111518e+00 5.640111518e+00 2.56 5.058982599e+00 5.058982599e+00 2.58 4.511098940e+00 4.511098940e+00 2.60 3.995935343e+00 3.995935343e+00 2.62 3.512941228e+00 3.512941228e+00 2.64 3.061535905e+00 3.061535905e+00 2.66 2.641104042e+00 2.641104042e+00 2.68 2.250991349e+00 2.250991349e+00 2.70 1.890500529e+00 1.890500529e+00 2.72 1.558887549e+00 1.558887549e+00 2.74 1.255358298e+00 1.255358298e+00 2.76 9.790656954e-01 9.790656954e-01 2.78 7.291073439e-01 7.291073439e-01 2.80 5.045238175e-01 5.045238175e-01 2.82 3.042976842e-01 3.042976842e-01 2.84 1.273533836e-01 1.273533836e-01 2.86 -2.744192068e-02 -2.744192068e-02 2.88 -1.612763804e-01 -1.612763804e-01 2.90 -2.753902604e-01 -2.753902604e-01 2.92 -3.710713564e-01 -3.710713564e-01 2.94 -4.496488991e-01 -4.496488991e-01 2.96 -5.124858257e-01 -5.124858257e-01 2.98 -5.609693166e-01 -5.609693166e-01 3.00 -5.964995330e-01 -5.964995330e-01 3.02 -6.204765433e-01 -6.204765433e-01 3.04 -6.342854960e-01 -6.342854960e-01 3.06 -6.392802025e-01 -6.392802025e-01 3.08 -6.367654240e-01 -6.367654240e-01 3.10 -6.279783271e-01 -6.279783271e-01 3.12 -6.140697870e-01 -6.140697870e-01 3.14 -5.960864645e-01 -5.960864645e-01 3.16 -5.749548591e-01 -5.749548591e-01 3.18 -5.514688145e-01 -5.514688145e-01 3.20 -5.262821695e-01 -5.262821695e-01 3.22 -4.999083225e-01 -4.999083225e-01 3.24 -4.727282809e-01 -4.727282809e-01 3.26 -4.450081377e-01 -4.450081377e-01 3.28 -4.169257095e-01 -4.169257095e-01 3.30 -3.886042174e-01 -3.886042174e-01 3.32 -3.601486118e-01 -3.601486118e-01 3.34 -3.316780715e-01 -3.316780715e-01 3.36 -3.033475368e-01 -3.033475368e-01 3.38 -2.753531941e-01 -2.753531941e-01 3.40 -2.479220924e-01 -2.479220924e-01 3.42 -2.212926251e-01 -2.212926251e-01 3.44 -1.956958834e-01 -1.956958834e-01 3.46 -1.713440625e-01 -1.713440625e-01 3.48 -1.484246618e-01 -1.484246618e-01 3.50 -1.270966808e-01 -1.270966808e-01 3.52 -1.074872521e-01 -1.074872521e-01 3.54 -8.968864530e-02 -8.968864530e-02 3.56 -7.375582634e-02 -7.375582634e-02 3.58 -5.970480374e-02 -5.970480374e-02 3.60 -4.751203097e-02 -4.751203097e-02 3.62 -3.711516584e-02 -3.711516584e-02 3.64 -2.841549394e-02 -2.841549394e-02 3.66 -2.128228009e-02 -2.128228009e-02 3.68 -1.555918157e-02 -1.555918157e-02 3.70 -1.107259943e-02 -1.107259943e-02 3.72 -7.641435003e-03 -7.641435003e-03 3.74 -5.087193708e-03 -5.087193708e-03 3.76 -3.242896363e-03 -3.242896363e-03 3.78 -1.959144072e-03 -1.959144072e-03 3.80 -1.106343432e-03 -1.106343432e-03 3.82 -5.736575875e-04 -5.736575875e-04 3.84 -2.669521908e-04 -2.669521908e-04 3.86 -1.081977852e-04 -1.081977852e-04 3.88 -3.665446959e-05 -3.665446959e-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 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