# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = Cd2Se # 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 2.00 1.371701248e+01 2.02 1.242905201e+01 2.04 1.123242227e+01 2.06 1.012105764e+01 2.08 9.089301972e+00 2.10 8.131875297e+00 2.12 7.243845556e+00 2.14 6.420701130e+00 2.16 5.657892623e+00 2.18 4.951685946e+00 2.20 4.298342977e+00 2.22 3.694424194e+00 2.24 3.136736945e+00 2.26 2.622310692e+00 2.28 2.148375162e+00 2.30 1.712331491e+00 2.32 1.311718392e+00 2.34 9.441811174e-01 2.36 6.074629859e-01 2.38 2.993943607e-01 2.40 1.801296904e-02 2.42 -2.385872137e-01 2.44 -4.720836254e-01 2.46 -6.839730017e-01 2.48 -8.756306352e-01 2.50 -1.048313651e+00 2.52 -1.203177159e+00 2.54 -1.341316745e+00 2.56 -1.463835373e+00 2.58 -1.571899864e+00 2.60 -1.666716463e+00 2.62 -1.749250120e+00 2.64 -1.821092058e+00 2.66 -1.882679594e+00 2.68 -1.934788861e+00 2.70 -1.978133561e+00 2.72 -2.013370935e+00 2.74 -2.041119339e+00 2.76 -2.061960257e+00 2.78 -2.076440367e+00 2.80 -2.085073201e+00 2.82 -2.088341021e+00 2.84 -2.086696423e+00 2.86 -2.080563889e+00 2.88 -2.070341327e+00 2.90 -2.056401444e+00 2.92 -2.039093114e+00 2.94 -2.018742644e+00 2.96 -1.995654993e+00 2.98 -1.970114903e+00 3.00 -1.942388018e+00 3.02 -1.912721890e+00 3.04 -1.881346979e+00 3.06 -1.848477565e+00 3.08 -1.814312627e+00 3.10 -1.779036693e+00 3.12 -1.742820593e+00 3.14 -1.705822217e+00 3.16 -1.668187216e+00 3.18 -1.630049652e+00 3.20 -1.591532633e+00 3.22 -1.552748898e+00 3.24 -1.513801378e+00 3.26 -1.474783763e+00 3.28 -1.435781016e+00 3.30 -1.396869919e+00 3.32 -1.358119653e+00 3.34 -1.319592361e+00 3.36 -1.281343848e+00 3.38 -1.243424364e+00 3.40 -1.205879515e+00 3.42 -1.168751360e+00 3.44 -1.132079738e+00 3.46 -1.095903739e+00 3.48 -1.060263286e+00 3.50 -1.025200588e+00 3.52 -9.907611166e-01 3.54 -9.569935149e-01 3.56 -9.239477611e-01 3.58 -8.916711158e-01 3.60 -8.602017876e-01 3.62 -8.295615727e-01 3.64 -7.997499275e-01 3.66 -7.707428013e-01 3.68 -7.424981997e-01 3.70 -7.149671812e-01 3.72 -6.880381214e-01 3.74 -6.618615884e-01 3.76 -6.362612550e-01 3.78 -6.112348440e-01 3.80 -5.867751927e-01 3.82 -5.628645225e-01 3.84 -5.394834043e-01 3.86 -5.166108467e-01 3.88 -4.942244082e-01 3.90 -4.723003382e-01 3.92 -4.508137607e-01 3.94 -4.297388755e-01 3.96 -4.090492615e-01 3.98 -3.887181918e-01 4.00 -3.687190854e-01 4.02 -3.490260354e-01 4.04 -3.296144597e-01 4.06 -3.104618917e-01 4.08 -2.915489244e-01 4.10 -2.728603150e-01 4.12 -2.543862631e-01 4.14 -2.361238472e-01 4.16 -2.180785978e-01 4.18 -2.002661578e-01 4.20 -1.827139436e-01 4.22 -1.654626780e-01 4.24 -1.485676263e-01 4.26 -1.320992846e-01 4.28 -1.161432409e-01 4.30 -1.007988479e-01 4.32 -8.617634404e-02 4.34 -7.239206415e-02 4.36 -5.956151535e-02 4.38 -4.779043782e-02 4.40 -3.716486852e-02 4.42 -2.774363677e-02 4.44 -1.956263041e-02 4.46 -1.266984321e-02 4.48 -7.197900273e-03 4.50 -3.363682351e-03 4.52 5.723339595e-05 4.54 3.150387691e-05 4.56 1.086562818e-05 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