# 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 = HgTe2 # 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 2.382472075e+04 0.88 2.079280292e+04 0.90 1.818392761e+04 0.92 1.592685280e+04 0.94 1.396926097e+04 0.96 1.227484432e+04 0.98 1.081022170e+04 1.00 9.540841443e+03 1.02 8.437036313e+03 1.04 7.477756060e+03 1.06 6.646475499e+03 1.08 5.926743974e+03 1.10 5.301175956e+03 1.12 4.753298408e+03 1.14 4.270509902e+03 1.16 3.844390586e+03 1.18 3.468165989e+03 1.20 3.135350665e+03 1.22 2.839653892e+03 1.24 2.574976201e+03 1.26 2.335803087e+03 1.28 2.117988775e+03 1.30 1.919041894e+03 1.32 1.737562072e+03 1.34 1.572594165e+03 1.36 1.423403854e+03 1.38 1.289304732e+03 1.40 1.169479562e+03 1.42 1.062907120e+03 1.44 9.683530695e+02 1.46 8.843942455e+02 1.48 8.094915286e+02 1.50 7.421283516e+02 1.52 6.809993829e+02 1.54 6.251615840e+02 1.56 5.740181899e+02 1.58 5.271448775e+02 1.60 4.841466451e+02 1.62 4.446247437e+02 1.64 4.081971825e+02 1.66 3.745309879e+02 1.68 3.433702948e+02 1.70 3.145455518e+02 1.72 2.879532128e+02 1.74 2.635160099e+02 1.76 2.411530635e+02 1.78 2.207711040e+02 1.80 2.022642799e+02 1.82 1.855154246e+02 1.84 1.703980531e+02 1.86 1.567787675e+02 1.88 1.445194111e+02 1.90 1.334782476e+02 1.92 1.235103318e+02 1.94 1.144692421e+02 1.96 1.062133763e+02 1.98 9.861702177e+01 2.00 9.158149720e+01 2.02 8.503932038e+01 2.04 7.894689198e+01 2.06 7.327073513e+01 2.08 6.797885057e+01 2.10 6.303963794e+01 2.12 5.842316111e+01 2.14 5.410256328e+01 2.16 5.005520077e+01 2.18 4.626306764e+01 2.20 4.271220371e+01 2.22 3.939125144e+01 2.24 3.628994217e+01 2.26 3.339833118e+01 2.28 3.070678017e+01 2.30 2.820612349e+01 2.32 2.588771265e+01 2.34 2.374328029e+01 2.36 2.176464729e+01 2.38 1.994338868e+01 2.40 1.827060773e+01 2.42 1.673687271e+01 2.44 1.533224963e+01 2.46 1.404637029e+01 2.48 1.286853157e+01 2.50 1.178783647e+01 2.52 1.079338438e+01 2.54 9.874515402e+00 2.56 9.021106515e+00 2.58 8.223905872e+00 2.60 7.474873159e+00 2.62 6.767472215e+00 2.64 6.096842785e+00 2.66 5.459776292e+00 2.68 4.854455053e+00 2.70 4.279996781e+00 2.72 3.735951245e+00 2.74 3.221940442e+00 2.76 2.737532264e+00 2.78 2.282257886e+00 2.80 1.855638837e+00 2.82 1.457190540e+00 2.84 1.086419164e+00 2.86 7.428181144e-01 2.88 4.258645973e-01 2.90 1.350162675e-01 2.92 -1.302920228e-01 2.94 -3.706513604e-01 2.96 -5.866817710e-01 2.98 -7.790350587e-01 3.00 -9.483974564e-01 3.02 -1.095492053e+00 3.04 -1.221080964e+00 3.06 -1.325967194e+00 3.08 -1.410996162e+00 3.10 -1.477056816e+00 3.12 -1.525082298e+00 3.14 -1.556050100e+00 3.16 -1.570981629e+00 3.18 -1.570941146e+00 3.20 -1.557033982e+00 3.22 -1.530403988e+00 3.24 -1.492230133e+00 3.26 -1.443722210e+00 3.28 -1.386115575e+00 3.30 -1.320664892e+00 3.32 -1.248636836e+00 3.34 -1.171301757e+00 3.36 -1.089924294e+00 3.38 -1.005752993e+00 3.40 -9.200089788e-01 3.42 -8.338737842e-01 3.44 -7.484764888e-01 3.46 -6.648803383e-01 3.48 -5.840690853e-01 3.50 -5.069333325e-01 3.52 -4.342572099e-01 3.54 -3.667057761e-01 3.56 -3.048135822e-01 3.58 -2.489748993e-01 3.60 -1.994361717e-01 3.62 -1.562913244e-01 3.64 -1.194806308e-01 3.66 -8.879391514e-02 3.68 -6.387891688e-02 3.70 -4.425563237e-02 3.72 -2.933730874e-02 3.74 -1.845839977e-02 3.76 -1.090909188e-02 3.78 -5.974895693e-03 3.80 -2.978317318e-03 3.82 -1.318042902e-03 3.84 -4.999530984e-04 3.86 -1.543781379e-04 3.88 -3.588560392e-05 3.90 -5.550092301e-06 3.92 -4.653825407e-07 3.94 -1.469835747e-08 3.96 -8.519753980e-11 3.98 -1.737559102e-14 4.00 -9.967439133e-22 4.02 -2.172065961e-42 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