# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1
# composition = Cd2Hg
# 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  1.290324263e+04 
0.80  1.107123335e+04 
0.82  9.537574575e+03 
0.84  8.253335198e+03 
0.86  7.170676538e+03 
0.88  6.247755279e+03 
0.90  5.455214189e+03 
0.92  4.772487542e+03 
0.94  4.183422206e+03 
0.96  3.675512645e+03 
0.98  3.237890192e+03 
1.00  2.860126617e+03 
1.02  2.532906585e+03 
1.04  2.248538327e+03 
1.06  2.000605620e+03 
1.08  1.783393007e+03 
1.10  1.591704564e+03 
1.12  1.421321514e+03 
1.14  1.269381190e+03 
1.16  1.134099593e+03 
1.18  1.014172166e+03 
1.20  9.083841706e+02 
1.22  8.154203899e+02 
1.24  7.338124265e+02 
1.26  6.620210349e+02 
1.28  5.985847091e+02 
1.30  5.422567988e+02 
1.32  4.920382102e+02 
1.34  4.471329768e+02 
1.36  4.069274489e+02 
1.38  3.709420337e+02 
1.40  3.387340415e+02 
1.42  3.098414448e+02 
1.44  2.837915451e+02 
1.46  2.601351490e+02 
1.48  2.384839823e+02 
1.50  2.185342732e+02 
1.52  2.000654591e+02 
1.54  1.829243593e+02 
1.56  1.670068261e+02 
1.58  1.522336603e+02 
1.60  1.385335241e+02 
1.62  1.258416875e+02 
1.64  1.141034801e+02 
1.66  1.032753715e+02 
1.68  9.332192106e+01 
1.70  8.421003179e+01 
1.72  7.590438341e+01 
1.74  6.836585000e+01 
1.76  6.155140792e+01 
1.78  5.541440035e+01 
1.80  4.990504762e+01 
1.82  4.497124489e+01 
1.84  4.055966373e+01 
1.86  3.661711513e+01 
1.88  3.309202953e+01 
1.90  2.993578773e+01 
1.92  2.710359882e+01 
1.94  2.455484543e+01 
1.96  2.225332711e+01 
1.98  2.016805597e+01 
2.00  1.827442508e+01 
2.02  1.655451416e+01 
2.04  1.499564705e+01 
2.06  1.358772586e+01 
2.08  1.232100286e+01 
2.10  1.118526166e+01 
2.12  1.016976546e+01 
2.14  9.263322499e+00 
2.16  8.454386156e+00 
2.18  7.731207914e+00 
2.20  7.082056163e+00 
2.22  6.495509957e+00 
2.24  5.960827097e+00 
2.26  5.468364066e+00 
2.28  5.009995471e+00 
2.30  4.579441493e+00 
2.32  4.172387992e+00 
2.34  3.786303032e+00 
2.36  3.419950957e+00 
2.38  3.072765491e+00 
2.40  2.744350748e+00 
2.42  2.434277113e+00 
2.44  2.142085563e+00 
2.46  1.867321198e+00 
2.48  1.609539745e+00 
2.50  1.368305293e+00 
2.52  1.143187568e+00 
2.54  9.337593285e-01 
2.56  7.395938600e-01 
2.58  5.602626127e-01 
2.60  3.953329580e-01 
2.62  2.443660845e-01 
2.64  1.069150502e-01 
2.66 -1.747703676e-02 
2.68 -1.292785952e-01 
2.70 -2.289709805e-01 
2.72 -3.170496885e-01 
2.74 -3.940252560e-01 
2.76 -4.604239119e-01 
2.78 -5.167878912e-01 
2.80 -5.636753694e-01 
2.82 -6.016600502e-01 
2.84 -6.313302539e-01 
2.86 -6.532875445e-01 
2.88 -6.681448167e-01 
2.90 -6.765238056e-01 
2.92 -6.790519756e-01 
2.94 -6.763587549e-01 
2.96 -6.690710887e-01 
2.98 -6.578082990e-01 
3.00 -6.431762603e-01 
3.02 -6.257609264e-01 
3.04 -6.061212865e-01 
3.06 -5.847818766e-01 
3.08 -5.622250437e-01 
3.10 -5.388832434e-01 
3.12 -5.151317620e-01 
3.14 -4.912823734e-01 
3.16 -4.675785804e-01 
3.18 -4.441932157e-01 
3.20 -4.212292666e-01 
3.22 -3.987247802e-01 
3.24 -3.766625283e-01 
3.26 -3.549846617e-01 
3.28 -3.336117801e-01 
3.30 -3.124646703e-01 
3.32 -2.914855932e-01 
3.34 -2.706549079e-01 
3.36 -2.499988484e-01 
3.38 -2.295862888e-01 
3.40 -2.095163907e-01 
3.42 -1.899031261e-01 
3.44 -1.708632484e-01 
3.46 -1.525100832e-01 
3.48 -1.349509316e-01 
3.50 -1.182854362e-01 
3.52 -1.026039706e-01 
3.54 -8.798595279e-02 
3.56 -7.449810322e-02 
3.58 -6.219268694e-02 
3.60 -5.110579179e-02 
3.62 -4.125571280e-02 
3.64 -3.264153439e-02 
3.66 -2.524202809e-02 
3.68 -1.901501261e-02 
3.70 -1.389735279e-02 
3.72 -9.805799717e-03 
3.74 -6.638885010e-03 
3.76 -4.280064484e-03 
3.78 -2.602237742e-03 
3.80 -1.473626572e-03 
3.82 -7.647546084e-04 
3.84 -3.559325247e-04 
3.86 -1.442637230e-04 
3.88 -4.887263696e-05 
3.90 -1.304468295e-05 
3.92 -2.511480982e-06 
3.94 -3.038318541e-07 
3.96 -1.837968143e-08 
3.98 -3.698716300e-10 
4.00 -1.107040621e-12 
4.02 -7.801312766e-17 
4.04 -6.135159451e-25 
4.06 -9.251572604e-48 
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