# 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 = S2TeZn # 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 1.790679809e+04 1.790679809e+04 0.96 1.573465169e+04 1.573465169e+04 0.98 1.387579561e+04 1.387579561e+04 1.00 1.228005234e+04 1.228005234e+04 1.02 1.090550590e+04 1.090550590e+04 1.04 9.717121868e+03 9.717121868e+03 1.06 8.683276170e+03 8.683276170e+03 1.08 7.774962448e+03 7.774962448e+03 1.10 6.969367992e+03 6.969367992e+03 1.12 6.250314486e+03 6.250314486e+03 1.14 5.605903133e+03 5.605903133e+03 1.16 5.027118927e+03 5.027118927e+03 1.18 4.506934545e+03 4.506934545e+03 1.20 4.039614529e+03 4.039614529e+03 1.22 3.620441732e+03 3.620441732e+03 1.24 3.245492795e+03 3.245492795e+03 1.26 2.911451033e+03 2.911451033e+03 1.28 2.615419701e+03 2.615419701e+03 1.30 2.354411594e+03 2.354411594e+03 1.32 2.125038224e+03 2.125038224e+03 1.34 1.923611370e+03 1.923611370e+03 1.36 1.746395800e+03 1.746395800e+03 1.38 1.589891141e+03 1.589891141e+03 1.40 1.451016536e+03 1.451016536e+03 1.42 1.327061173e+03 1.327061173e+03 1.44 1.215551121e+03 1.215551121e+03 1.46 1.114318566e+03 1.114318566e+03 1.48 1.021613754e+03 1.021613754e+03 1.50 9.361234033e+02 9.361234033e+02 1.52 8.569875165e+02 8.569875165e+02 1.54 7.837338545e+02 7.837338545e+02 1.56 7.161115510e+02 7.161115510e+02 1.58 6.539354192e+02 6.539354192e+02 1.60 5.970075779e+02 5.970075779e+02 1.62 5.450969827e+02 5.450969827e+02 1.64 4.979409915e+02 4.979409915e+02 1.66 4.552534253e+02 4.552534253e+02 1.68 4.167349840e+02 4.167349840e+02 1.70 3.820819838e+02 3.820819838e+02 1.72 3.509882383e+02 3.509882383e+02 1.74 3.231398700e+02 3.231398700e+02 1.76 2.982125149e+02 2.982125149e+02 1.78 2.758788630e+02 2.758788630e+02 1.80 2.558219966e+02 2.558219966e+02 1.82 2.377467680e+02 2.377467680e+02 1.84 2.213841010e+02 2.213841010e+02 1.86 2.064881799e+02 2.064881799e+02 1.88 1.928330466e+02 1.928330466e+02 1.90 1.802134475e+02 1.802134475e+02 1.92 1.684494036e+02 1.684494036e+02 1.94 1.573954714e+02 1.573954714e+02 1.96 1.469500475e+02 1.469500475e+02 1.98 1.370546296e+02 1.370546296e+02 2.00 1.276799654e+02 1.276799654e+02 2.02 1.188085677e+02 1.188085677e+02 2.04 1.104255921e+02 1.104255921e+02 2.06 1.025173909e+02 1.025173909e+02 2.08 9.507153083e+01 9.507153083e+01 2.10 8.807631724e+01 8.807631724e+01 2.12 8.151984441e+01 8.151984441e+01 2.14 7.538900252e+01 7.538900252e+01 2.16 6.966886848e+01 6.966886848e+01 2.18 6.434247980e+01 6.434247980e+01 2.20 5.939076595e+01 5.939076595e+01 2.22 5.479256557e+01 5.479256557e+01 2.24 5.052476203e+01 5.052476203e+01 2.26 4.656258455e+01 4.656258455e+01 2.28 4.288012534e+01 4.288012534e+01 2.30 3.945111443e+01 3.945111443e+01 2.32 3.624995932e+01 3.624995932e+01 2.34 3.325298456e+01 3.325298456e+01 2.36 3.043968820e+01 3.043968820e+01 2.38 2.779369424e+01 2.779369424e+01 2.40 2.530300428e+01 2.530300428e+01 2.42 2.295928765e+01 2.295928765e+01 2.44 2.075640422e+01 2.075640422e+01 2.46 1.868890742e+01 1.868890742e+01 2.48 1.675127147e+01 1.675127147e+01 2.50 1.493781524e+01 1.493781524e+01 2.52 1.324282366e+01 1.324282366e+01 2.54 1.166066729e+01 1.166066729e+01 2.56 1.018593087e+01 1.018593087e+01 2.58 8.813550142e+00 8.813550142e+00 2.60 7.538941774e+00 7.538941774e+00 2.62 6.358102398e+00 6.358102398e+00 2.64 5.267647513e+00 5.267647513e+00 2.66 4.264763034e+00 4.264763034e+00 2.68 3.347059415e+00 3.347059415e+00 2.70 2.512352845e+00 2.512352845e+00 2.72 1.758437998e+00 1.758437998e+00 2.74 1.082929176e+00 1.082929176e+00 2.76 4.832016333e-01 4.832016333e-01 2.78 -4.360623745e-02 -4.360623745e-02 2.80 -5.005836419e-01 -5.005836419e-01 2.82 -8.910439056e-01 -8.910439056e-01 2.84 -1.218519937e+00 -1.218519937e+00 2.86 -1.486755725e+00 -1.486755725e+00 2.88 -1.699693198e+00 -1.699693198e+00 2.90 -1.861453936e+00 -1.861453936e+00 2.92 -1.976315246e+00 -1.976315246e+00 2.94 -2.048680219e+00 -2.048680219e+00 2.96 -2.083041446e+00 -2.083041446e+00 2.98 -2.083938274e+00 -2.083938274e+00 3.00 -2.055907719e+00 -2.055907719e+00 3.02 -2.003429465e+00 -2.003429465e+00 3.04 -1.930865853e+00 -1.930865853e+00 3.06 -1.842398340e+00 -1.842398340e+00 3.08 -1.741962677e+00 -1.741962677e+00 3.10 -1.633185995e+00 -1.633185995e+00 3.12 -1.519330041e+00 -1.519330041e+00 3.14 -1.403245919e+00 -1.403245919e+00 3.16 -1.287346408e+00 -1.287346408e+00 3.18 -1.173601744e+00 -1.173601744e+00 3.20 -1.063562664e+00 -1.063562664e+00 3.22 -9.584094015e-01 -9.584094015e-01 3.24 -8.590169542e-01 -8.590169542e-01 3.26 -7.660174628e-01 -7.660174628e-01 3.28 -6.798369939e-01 -6.798369939e-01 3.30 -6.006960933e-01 -6.006960933e-01 3.32 -5.285915907e-01 -5.285915907e-01 3.34 -4.632966071e-01 -4.632966071e-01 3.36 -4.043985584e-01 -4.043985584e-01 3.38 -3.513640510e-01 -3.513640510e-01 3.40 -3.036129525e-01 -3.036129525e-01 3.42 -2.605879392e-01 -2.605879392e-01 3.44 -2.218064036e-01 -2.218064036e-01 3.46 -1.868852336e-01 -1.868852336e-01 3.48 -1.555390228e-01 -1.555390228e-01 3.50 -1.275634012e-01 -1.275634012e-01 3.52 -1.028160457e-01 -1.028160457e-01 3.54 -8.119640226e-02 -8.119640226e-02 3.56 -6.261856225e-02 -6.261856225e-02 3.58 -4.698003069e-02 -4.698003069e-02 3.60 -3.413697512e-02 -3.413697512e-02 3.62 -2.389290437e-02 -2.389290437e-02 3.64 -1.599911068e-02 -1.599911068e-02 3.66 -1.016209391e-02 -1.016209391e-02 3.68 -6.055720975e-03 -6.055720975e-03 3.70 -3.337693139e-03 -3.337693139e-03 3.72 -1.669616779e-03 -1.669616779e-03 3.74 -7.388811307e-04 -7.388811307e-04 3.76 -2.792076869e-04 -2.792076869e-04 3.78 -8.564516803e-05 -8.564516803e-05 3.80 -1.978859816e-05 -1.978859816e-05 3.82 -3.068481514e-06 -3.068481514e-06 3.84 -2.645801401e-07 -2.645801401e-07 3.86 -9.134975230e-09 -9.134975230e-09 3.88 -6.729164225e-11 -6.729164225e-11 3.90 -2.663868407e-14 -2.663868407e-14 3.92 -1.380614237e-20 -1.380614237e-20 3.94 -4.139661204e-36 -4.139661204e-36 3.96 -1.245324048e-137 -1.245324048e-137 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 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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