# 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 = SSe2 # 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 1.960436592e+04 0.88 1.706527180e+04 0.90 1.488933270e+04 0.92 1.301546205e+04 0.94 1.139786141e+04 0.96 1.000048519e+04 0.98 8.795004766e+03 1.00 7.758492698e+03 1.02 6.869096345e+03 1.04 6.103492745e+03 1.06 5.438727111e+03 1.08 4.855798154e+03 1.10 4.341665280e+03 1.12 3.887365787e+03 1.14 3.485265940e+03 1.16 3.128174424e+03 1.18 2.809574283e+03 1.20 2.523997744e+03 1.22 2.267146786e+03 1.24 2.036078775e+03 1.26 1.829041407e+03 1.28 1.644698765e+03 1.30 1.481546597e+03 1.32 1.337790343e+03 1.34 1.211378086e+03 1.36 1.100096404e+03 1.38 1.001723341e+03 1.40 9.141950723e+02 1.42 8.357140431e+02 1.44 7.647949144e+02 1.46 7.002928015e+02 1.48 6.413681734e+02 1.50 5.873763680e+02 1.52 5.377601457e+02 1.54 4.920269375e+02 1.56 4.497838202e+02 1.58 4.107563933e+02 1.60 3.747614946e+02 1.62 3.416509580e+02 1.64 3.112742087e+02 1.66 2.834733218e+02 1.68 2.580894352e+02 1.70 2.349692666e+02 1.72 2.139680848e+02 1.74 1.949478152e+02 1.76 1.777725625e+02 1.78 1.623035313e+02 1.80 1.483933783e+02 1.82 1.358830391e+02 1.84 1.246039639e+02 1.86 1.143849769e+02 1.88 1.050624806e+02 1.90 9.649256445e+01 1.92 8.856145772e+01 1.94 8.118897534e+01 1.96 7.432191900e+01 1.98 6.792240857e+01 2.00 6.196070707e+01 2.02 5.641385273e+01 2.04 5.126481284e+01 2.06 4.650024629e+01 2.08 4.210784041e+01 2.10 3.807461333e+01 2.12 3.438641373e+01 2.14 3.102785320e+01 2.16 2.798226904e+01 2.18 2.523170439e+01 2.20 2.275691996e+01 2.22 2.053744929e+01 2.24 1.855171353e+01 2.26 1.677721756e+01 2.28 1.519085278e+01 2.30 1.376933194e+01 2.32 1.248976983e+01 2.34 1.133039557e+01 2.36 1.027133175e+01 2.38 9.295311795e+00 2.40 8.388161949e+00 2.42 7.538909245e+00 2.44 6.739531788e+00 2.46 5.984548234e+00 2.48 5.270601090e+00 2.50 4.595929715e+00 2.52 3.959660585e+00 2.54 3.361168876e+00 2.56 2.799774635e+00 2.58 2.274730222e+00 2.60 1.785272423e+00 2.62 1.330636121e+00 2.64 9.100508281e-01 2.66 5.227358392e-01 2.68 1.678955539e-01 2.70 -1.552850133e-01 2.72 -4.476445083e-01 2.74 -7.100492763e-01 2.76 -9.433971380e-01 2.78 -1.148620867e+00 2.80 -1.326691331e+00 2.82 -1.478620247e+00 2.84 -1.605462508e+00 2.86 -1.708318013e+00 2.88 -1.788332946e+00 2.90 -1.846700433e+00 2.92 -1.884660506e+00 2.94 -1.903499298e+00 2.96 -1.904547382e+00 2.98 -1.889177195e+00 3.00 -1.858799444e+00 3.02 -1.814858439e+00 3.04 -1.758826279e+00 3.06 -1.692195833e+00 3.08 -1.616472477e+00 3.10 -1.533164579e+00 3.12 -1.443772715e+00 3.14 -1.349777691e+00 3.16 -1.252627422e+00 3.18 -1.153722838e+00 3.20 -1.054402971e+00 3.22 -9.559295229e-01 3.24 -8.594712299e-01 3.26 -7.660884588e-01 3.28 -6.767185610e-01 3.30 -5.921626039e-01 3.32 -5.130742086e-01 3.34 -4.399513153e-01 3.36 -3.731317688e-01 3.38 -3.127936406e-01 3.40 -2.589611346e-01 3.42 -2.115167092e-01 3.44 -1.702196039e-01 3.46 -1.347302140e-01 3.48 -1.046386707e-01 3.50 -7.949462081e-02 3.52 -5.883389754e-02 3.54 -4.219717375e-02 3.56 -2.913679838e-02 3.58 -1.921164398e-02 3.60 -1.197547141e-02 3.62 -6.969051769e-03 3.64 -3.725475901e-03 3.66 -1.790473216e-03 3.68 -7.511668069e-04 3.70 -2.639244533e-04 3.72 -7.311802850e-05 3.74 -1.458196517e-05 3.76 -1.811817699e-06 3.78 -1.099240171e-07 3.80 -2.085364169e-09 3.82 -4.970102045e-12 3.84 -1.643633350e-16 3.86 -6.652381302e-26 3.88 -4.422293267e-58 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