# 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 = Se2Zn # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 1.812011336e+04 0.88 1.573922131e+04 0.90 1.370597071e+04 0.92 1.196696227e+04 0.94 1.047413730e+04 0.96 9.192593580e+03 0.98 8.095070520e+03 1.00 7.154665634e+03 1.02 6.344313233e+03 1.04 5.640494205e+03 1.06 5.026752762e+03 1.08 4.491421270e+03 1.10 4.023890384e+03 1.12 3.613701251e+03 1.14 3.250785238e+03 1.16 2.925987865e+03 1.18 2.632337895e+03 1.20 2.365876326e+03 1.22 2.124632076e+03 1.24 1.907254359e+03 1.26 1.712571938e+03 1.28 1.539377298e+03 1.30 1.386216161e+03 1.32 1.251305295e+03 1.34 1.132548106e+03 1.36 1.027627825e+03 1.38 9.342069951e+02 1.40 8.502220854e+02 1.42 7.741417097e+02 1.44 7.049764085e+02 1.46 6.420468437e+02 1.48 5.847719798e+02 1.50 5.325830610e+02 1.52 4.849288677e+02 1.54 4.413178718e+02 1.56 4.013627219e+02 1.58 3.647977995e+02 1.60 3.314491106e+02 1.62 3.011742000e+02 1.64 2.738201035e+02 1.66 2.492129522e+02 1.68 2.271587466e+02 1.70 2.074461958e+02 1.72 1.898508777e+02 1.74 1.741402299e+02 1.76 1.600786543e+02 1.78 1.474328452e+02 1.80 1.359798164e+02 1.82 1.255210263e+02 1.84 1.158997598e+02 1.86 1.070094136e+02 1.88 9.878222866e+01 1.90 9.116616755e+01 1.92 8.411055130e+01 1.94 7.756443717e+01 1.96 7.147866710e+01 1.98 6.580833411e+01 2.00 6.051510985e+01 2.02 5.556872348e+01 2.04 5.094688822e+01 2.06 4.663354590e+01 2.08 4.261631620e+01 2.10 3.888444737e+01 2.12 3.542762147e+01 2.14 3.223520699e+01 2.16 2.929587744e+01 2.18 2.659752178e+01 2.20 2.412723442e+01 2.22 2.187132142e+01 2.24 1.981533270e+01 2.26 1.794412947e+01 2.28 1.624199661e+01 2.30 1.469281169e+01 2.32 1.328028287e+01 2.34 1.198826677e+01 2.36 1.080117097e+01 2.38 9.704432365e+00 2.40 8.685039625e+00 2.42 7.732034032e+00 2.44 6.836886174e+00 2.46 5.993622082e+00 2.48 5.198593707e+00 2.50 4.449887696e+00 2.52 3.746537792e+00 2.54 3.087847810e+00 2.56 2.473066577e+00 2.58 1.901365849e+00 2.60 1.371889184e+00 2.62 8.837640304e-01 2.64 4.360968465e-01 2.66 2.796687802e-02 2.68 -3.415798778e-01 2.70 -6.735364662e-01 2.72 -9.689404898e-01 2.74 -1.228879301e+00 2.76 -1.454494818e+00 2.78 -1.646987900e+00 2.80 -1.807622212e+00 2.82 -1.937727495e+00 2.84 -2.038702155e+00 2.86 -2.112015066e+00 2.88 -2.159206478e+00 2.90 -2.181887918e+00 2.92 -2.181740956e+00 2.94 -2.160514707e+00 2.96 -2.120021950e+00 2.98 -2.062133721e+00 3.00 -1.988772271e+00 3.02 -1.901902277e+00 3.04 -1.803520203e+00 3.06 -1.695641759e+00 3.08 -1.580287414e+00 3.10 -1.459465973e+00 3.12 -1.335156277e+00 3.14 -1.209287147e+00 3.16 -1.083715757e+00 3.18 -9.602047198e-01 3.20 -8.403982221e-01 3.22 -7.257976714e-01 3.24 -6.177373923e-01 3.26 -5.173610240e-01 3.28 -4.255993739e-01 3.30 -3.431506095e-01 3.32 -2.704638144e-01 3.34 -2.077271144e-01 3.36 -1.548618072e-01 3.38 -1.115242104e-01 3.40 -7.711724123e-02 3.42 -5.081398870e-02 3.44 -3.159553679e-02 3.46 -1.830474538e-02 3.48 -9.716127610e-03 3.50 -4.618903016e-03 3.52 -1.905535419e-03 3.54 -6.522348180e-04 3.56 -1.733156540e-04 3.58 -3.226649615e-05 3.60 -3.560106222e-06 3.62 -1.736898879e-07 3.64 -2.133110749e-09 3.66 -1.909341513e-12 3.68 -4.329391326e-18 3.70 -5.265492429e-32 3.72 -3.414424515e-90 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00