# 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 = CdTe2 # 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 2.657994123e+04 0.88 2.317934935e+04 0.90 2.027294954e+04 0.92 1.776812893e+04 0.94 1.560525367e+04 0.96 1.373620097e+04 0.98 1.211414848e+04 1.00 1.070004472e+04 1.02 9.464669063e+03 1.04 8.385134602e+03 1.06 7.442652728e+03 1.08 6.621891462e+03 1.10 5.909353862e+03 1.12 5.291137573e+03 1.14 4.752675664e+03 1.16 4.279971729e+03 1.18 3.861176477e+03 1.20 3.487797067e+03 1.22 3.154202678e+03 1.24 2.855806720e+03 1.26 2.588365835e+03 1.28 2.348046318e+03 1.30 2.131291758e+03 1.32 1.934775617e+03 1.34 1.755802737e+03 1.36 1.592693117e+03 1.38 1.444587684e+03 1.40 1.310855915e+03 1.42 1.190765522e+03 1.44 1.083431320e+03 1.46 9.878202933e+02 1.48 9.027746456e+02 1.50 8.270571371e+02 1.52 7.594186237e+02 1.54 6.986736783e+02 1.56 6.437553721e+02 1.58 5.937322701e+02 1.60 5.478170482e+02 1.62 5.053892303e+02 1.64 4.659840726e+02 1.66 4.292458992e+02 1.68 3.949115128e+02 1.70 3.628130745e+02 1.72 3.328565902e+02 1.74 3.049799579e+02 1.76 2.791216440e+02 1.78 2.552118399e+02 1.80 2.331728935e+02 1.82 2.129213792e+02 1.84 1.943709061e+02 1.86 1.774351030e+02 1.88 1.620296887e+02 1.90 1.480722616e+02 1.92 1.354791758e+02 1.94 1.241609204e+02 1.96 1.140189075e+02 1.98 1.049449565e+02 2.00 9.682259883e+01 2.02 8.952982075e+01 2.04 8.294361879e+01 2.06 7.694656210e+01 2.08 7.143472667e+01 2.10 6.632496153e+01 2.12 6.155819661e+01 2.14 5.709633824e+01 2.16 5.291462478e+01 2.18 4.899520028e+01 2.20 4.532433160e+01 2.22 4.189074697e+01 2.24 3.868404861e+01 2.26 3.569389242e+01 2.28 3.290997724e+01 2.30 3.032229021e+01 2.32 2.792129679e+01 2.34 2.569798394e+01 2.36 2.364370661e+01 2.38 2.174986821e+01 2.40 2.000757296e+01 2.42 1.840741307e+01 2.44 1.693943149e+01 2.46 1.559317899e+01 2.48 1.435780977e+01 2.50 1.322221844e+01 2.52 1.217522968e+01 2.54 1.120584669e+01 2.56 1.030355793e+01 2.58 9.458689048e+00 2.60 8.662768257e+00 2.62 7.908849285e+00 2.64 7.191714727e+00 2.66 6.507877964e+00 2.68 5.855335414e+00 2.70 5.233105758e+00 2.72 4.640704911e+00 2.74 4.077758584e+00 2.76 3.543855308e+00 2.78 3.038554982e+00 2.80 2.561414266e+00 2.82 2.111990320e+00 2.84 1.689838028e+00 2.86 1.294506875e+00 2.88 9.255378792e-01 2.90 5.824606018e-01 2.92 2.647902343e-01 2.94 -2.797522867e-02 2.96 -2.963577160e-01 2.98 -5.409016929e-01 3.00 -7.621766437e-01 3.02 -9.607794026e-01 3.04 -1.137336309e+00 3.06 -1.292505161e+00 3.08 -1.426976938e+00 3.10 -1.541477252e+00 3.12 -1.636767500e+00 3.14 -1.713645666e+00 3.16 -1.772946740e+00 3.18 -1.815542695e+00 3.20 -1.842341982e+00 3.22 -1.854288489e+00 3.24 -1.852359909e+00 3.26 -1.837565472e+00 3.28 -1.810942988e+00 3.30 -1.773555153e+00 3.32 -1.726485087e+00 3.34 -1.670831060e+00 3.36 -1.607700400e+00 3.38 -1.538202576e+00 3.40 -1.463441468e+00 3.42 -1.384506872e+00 3.44 -1.302465314e+00 3.46 -1.218350280e+00 3.48 -1.133152016e+00 3.50 -1.047807107e+00 3.52 -9.631880909e-01 3.54 -8.800934448e-01 3.56 -7.992383269e-01 3.58 -7.212465533e-01 3.60 -6.466443336e-01 3.62 -5.758563526e-01 3.64 -5.092047971e-01 3.66 -4.469118926e-01 3.68 -3.891063795e-01 3.70 -3.358340992e-01 3.72 -2.870724129e-01 3.74 -2.427475260e-01 3.76 -2.027529576e-01 3.78 -1.669665082e-01 3.80 -1.352624441e-01 3.82 -1.075157258e-01 3.84 -8.359651833e-02 3.86 -6.335615040e-02 3.88 -4.660932081e-02 3.90 -3.311954542e-02 3.92 -2.259339213e-02 3.94 -1.468464790e-02 3.96 -9.006267906e-03 3.98 -5.147979070e-03 4.00 -2.698267283e-03 4.02 -1.269039204e-03 4.04 -5.199463375e-04 4.06 -1.780463316e-04 4.08 -4.799241557e-05 4.10 -9.306777186e-06 4.12 -1.127015728e-06 4.14 -6.728730444e-08 4.16 -1.293270638e-09 4.18 -3.403151791e-12 4.20 -1.652908125e-16 4.22 -3.464333455e-25 4.24 -1.232015771e-51 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