# 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 = HgS2Zn # 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 1.415349943e+04 1.415349943e+04 0.96 1.242988851e+04 1.242988851e+04 0.98 1.096210212e+04 1.096210212e+04 1.00 9.706625148e+03 9.706625148e+03 1.02 8.622706236e+03 8.622706236e+03 1.04 7.678835010e+03 7.678835010e+03 1.06 6.853690457e+03 6.853690457e+03 1.08 6.130489856e+03 6.130489856e+03 1.10 5.494151621e+03 5.494151621e+03 1.12 4.930503436e+03 4.930503436e+03 1.14 4.426688959e+03 4.426688959e+03 1.16 3.972738117e+03 3.972738117e+03 1.18 3.562128141e+03 3.562128141e+03 1.20 3.191320738e+03 3.191320738e+03 1.22 2.858409376e+03 2.858409376e+03 1.24 2.561778721e+03 2.561778721e+03 1.26 2.299444116e+03 2.299444116e+03 1.28 2.068863965e+03 2.068863965e+03 1.30 1.866936971e+03 1.866936971e+03 1.32 1.690084484e+03 1.690084484e+03 1.34 1.534449762e+03 1.534449762e+03 1.36 1.396241513e+03 1.396241513e+03 1.38 1.272178167e+03 1.272178167e+03 1.40 1.159842242e+03 1.159842242e+03 1.42 1.057652945e+03 1.057652945e+03 1.44 9.644717140e+02 9.644717140e+02 1.46 8.793050991e+02 8.793050991e+02 1.48 8.012644031e+02 8.012644031e+02 1.50 7.296035151e+02 7.296035151e+02 1.52 6.637755826e+02 6.637755826e+02 1.54 6.034436414e+02 6.034436414e+02 1.56 5.483906695e+02 5.483906695e+02 1.58 4.984092436e+02 4.984092436e+02 1.60 4.532598677e+02 4.532598677e+02 1.62 4.126694671e+02 4.126694671e+02 1.64 3.763364574e+02 3.763364574e+02 1.66 3.439377237e+02 3.439377237e+02 1.68 3.151361031e+02 3.151361031e+02 1.70 2.895859140e+02 2.895859140e+02 1.72 2.669334499e+02 2.669334499e+02 1.74 2.468131105e+02 2.468131105e+02 1.76 2.288489276e+02 2.288489276e+02 1.78 2.126705309e+02 2.126705309e+02 1.80 1.979399278e+02 1.979399278e+02 1.82 1.843793872e+02 1.843793872e+02 1.84 1.717879311e+02 1.717879311e+02 1.86 1.600350853e+02 1.600350853e+02 1.88 1.490345175e+02 1.490345175e+02 1.90 1.387179267e+02 1.387179267e+02 1.92 1.290251930e+02 1.290251930e+02 1.94 1.199056523e+02 1.199056523e+02 1.96 1.113207733e+02 1.113207733e+02 1.98 1.032438078e+02 1.032438078e+02 2.00 9.565572018e+01 9.565572018e+01 2.02 8.854032422e+01 8.854032422e+01 2.04 8.188196615e+01 8.188196615e+01 2.06 7.566532530e+01 7.566532530e+01 2.08 6.987540217e+01 6.987540217e+01 2.10 6.449708346e+01 6.449708346e+01 2.12 5.951436481e+01 5.951436481e+01 2.14 5.490958969e+01 5.490958969e+01 2.16 5.066304208e+01 5.066304208e+01 2.18 4.675288090e+01 4.675288090e+01 2.20 4.315524325e+01 4.315524325e+01 2.22 3.984447685e+01 3.984447685e+01 2.24 3.679353454e+01 3.679353454e+01 2.26 3.397455895e+01 3.397455895e+01 2.28 3.135966992e+01 3.135966992e+01 2.30 2.892193845e+01 2.892193845e+01 2.32 2.663648909e+01 2.663648909e+01 2.34 2.448162199e+01 2.448162199e+01 2.36 2.243979245e+01 2.243979245e+01 2.38 2.049823115e+01 2.049823115e+01 2.40 1.864894159e+01 1.864894159e+01 2.42 1.688786608e+01 1.688786608e+01 2.44 1.521336094e+01 1.521336094e+01 2.46 1.362466651e+01 1.362466651e+01 2.48 1.212108754e+01 1.212108754e+01 2.50 1.070184299e+01 1.070184299e+01 2.52 9.366085910e+00 9.366085910e+00 2.54 8.112899123e+00 8.112899123e+00 2.56 6.941282511e+00 6.941282511e+00 2.58 5.850140242e+00 5.850140242e+00 2.60 4.838268267e+00 4.838268267e+00 2.62 3.904342203e+00 3.904342203e+00 2.64 3.046905713e+00 3.046905713e+00 2.66 2.264359504e+00 2.264359504e+00 2.68 1.554951117e+00 1.554951117e+00 2.70 9.167656807e-01 9.167656807e-01 2.72 3.477178475e-01 3.477178475e-01 2.74 -1.544548636e-01 -1.544548636e-01 2.76 -5.921970476e-01 -5.921970476e-01 2.78 -9.681384376e-01 -9.681384376e-01 2.80 -1.285094663e+00 -1.285094663e+00 2.82 -1.546065419e+00 -1.546065419e+00 2.84 -1.754229715e+00 -1.754229715e+00 2.86 -1.912937864e+00 -1.912937864e+00 2.88 -2.025699886e+00 -2.025699886e+00 2.90 -2.096170035e+00 -2.096170035e+00 2.92 -2.128127193e+00 -2.128127193e+00 2.94 -2.125450957e+00 -2.125450957e+00 2.96 -2.092093320e+00 -2.092093320e+00 2.98 -2.032046034e+00 -2.032046034e+00 3.00 -1.949303835e+00 -1.949303835e+00 3.02 -1.847824000e+00 -1.847824000e+00 3.04 -1.731482873e+00 -1.731482873e+00 3.06 -1.604030358e+00 -1.604030358e+00 3.08 -1.469043601e+00 -1.469043601e+00 3.10 -1.329881443e+00 -1.329881443e+00 3.12 -1.189641474e+00 -1.189641474e+00 3.14 -1.051121679e+00 -1.051121679e+00 3.16 -9.167886921e-01 -9.167886921e-01 3.18 -7.887543977e-01 -7.887543977e-01 3.20 -6.687619311e-01 -6.687619311e-01 3.22 -5.581810339e-01 -5.581810339e-01 3.24 -4.580112548e-01 -4.580112548e-01 3.26 -3.688901983e-01 -3.688901983e-01 3.28 -2.911039225e-01 -2.911039225e-01 3.30 -2.245988868e-01 -2.245988868e-01 3.32 -1.689995326e-01 -1.689995326e-01 3.34 -1.236393460e-01 -1.236393460e-01 3.36 -8.761093068e-02 -8.761093068e-02 3.38 -5.983278461e-02 -5.983278461e-02 3.40 -3.912458008e-02 -3.912458008e-02 3.42 -2.428097841e-02 -2.428097841e-02 3.44 -1.413393376e-02 -1.413393376e-02 3.46 -7.596966043e-03 -7.596966043e-03 3.48 -3.693563153e-03 -3.693563153e-03 3.50 -1.580337725e-03 -1.580337725e-03 3.52 -5.728163586e-04 -5.728163586e-04 3.54 -1.663621677e-04 -1.663621677e-04 3.56 -3.552459042e-05 -3.552459042e-05 3.58 -4.847516981e-06 -4.847516981e-06 3.60 -3.315014859e-07 -3.315014859e-07 3.62 -7.221973410e-09 -7.221973410e-09 3.64 -1.952070226e-11 -1.952070226e-11 3.66 -6.245657597e-16 -6.245657597e-16 3.68 -8.064107452e-26 -8.064107452e-26 3.70 -2.314535889e-65 -2.314535889e-65 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 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