# 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 = Hg2Zn
# 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  1.242254143e+04 
0.80  1.068342131e+04 
0.82  9.223802123e+03 
0.84  7.993628747e+03 
0.86  6.949873699e+03 
0.88  6.058491558e+03 
0.90  5.292139831e+03 
0.92  4.630966428e+03 
0.94  4.061150840e+03 
0.96  3.570859291e+03 
0.98  3.148756126e+03 
1.00  2.784810857e+03 
1.02  2.470566742e+03 
1.04  2.198277615e+03 
1.06  1.960706121e+03 
1.08  1.751507234e+03 
1.10  1.565865062e+03 
1.12  1.400808675e+03 
1.14  1.254322352e+03 
1.16  1.124520678e+03 
1.18  1.009559375e+03 
1.20  9.076685811e+02 
1.22  8.171865179e+02 
1.24  7.366564834e+02 
1.26  6.649189423e+02 
1.28  6.010593671e+02 
1.30  5.442487046e+02 
1.32  4.936996119e+02 
1.34  4.487051967e+02 
1.36  4.086487035e+02 
1.38  3.729557525e+02 
1.40  3.410370578e+02 
1.42  3.122855773e+02 
1.44  2.861216293e+02 
1.46  2.620570453e+02 
1.48  2.397498150e+02 
1.50  2.190098007e+02 
1.52  1.997420039e+02 
1.54  1.818789518e+02 
1.56  1.653537697e+02 
1.58  1.500986917e+02 
1.60  1.360475982e+02 
1.62  1.231387851e+02 
1.64  1.113167233e+02 
1.66  1.005314176e+02 
1.68  9.073506261e+01 
1.70  8.187798428e+01 
1.72  7.390644018e+01 
1.74  6.676228539e+01 
1.76  6.038326856e+01 
1.78  5.470360080e+01 
1.80  4.965483234e+01 
1.82  4.516710273e+01 
1.84  4.117082233e+01 
1.86  3.759879577e+01 
1.88  3.438868336e+01 
1.90  3.148551291e+01 
1.92  2.884376832e+01 
1.94  2.642848680e+01 
1.96  2.421478021e+01 
1.98  2.218534471e+01 
2.00  2.032669110e+01 
2.02  1.862647436e+01 
2.04  1.707292029e+01 
2.06  1.565498188e+01 
2.08  1.436235924e+01 
2.10  1.318527581e+01 
2.12  1.211410477e+01 
2.14  1.113908909e+01 
2.16  1.025032439e+01 
2.18  9.437923194e+00 
2.20  8.692229928e+00 
2.22  8.004073974e+00 
2.24  7.365065172e+00 
2.26  6.767901912e+00 
2.28  6.206639680e+00 
2.30  5.676840372e+00 
2.32  5.175524479e+00 
2.34  4.700891335e+00 
2.36  4.251874042e+00 
2.38  3.827704748e+00 
2.40  3.427665975e+00 
2.42  3.051040226e+00 
2.44  2.697127587e+00 
2.46  2.365251340e+00 
2.48  2.054754833e+00 
2.50  1.764997689e+00 
2.52  1.495352203e+00 
2.54  1.245199888e+00 
2.56  1.013928250e+00 
2.58  8.009277337e-01 
2.60  6.055888620e-01 
2.62  4.272996130e-01 
2.64  2.654428999e-01 
2.66  1.193945322e-01 
2.68 -1.147885108e-02 
2.70 -1.278213222e-01 
2.72 -2.302890776e-01 
2.74 -3.195513615e-01 
2.76 -3.962911137e-01 
2.78 -4.612050808e-01 
2.80 -5.150036087e-01 
2.82 -5.584098006e-01 
2.84 -5.921581837e-01 
2.86 -6.169927693e-01 
2.88 -6.336644741e-01 
2.90 -6.429278700e-01 
2.92 -6.455372284e-01 
2.94 -6.422418487e-01 
2.96 -6.337806663e-01 
2.98 -6.208761672e-01 
3.00 -6.042276659e-01 
3.02 -5.845040437e-01 
3.04 -5.623361035e-01 
3.06 -5.383087637e-01 
3.08 -5.129534008e-01 
3.10 -4.867407521e-01 
3.12 -4.600749032e-01 
3.14 -4.332890041e-01 
3.16 -4.066434548e-01 
3.18 -3.803273524e-01 
3.20 -3.544639340e-01 
3.22 -3.291205187e-01 
3.24 -3.043229611e-01 
3.26 -2.800738206e-01 
3.28 -2.563723535e-01 
3.30 -2.332332518e-01 
3.32 -2.107002769e-01 
3.34 -1.888513186e-01 
3.36 -1.677936033e-01 
3.38 -1.476514823e-01 
3.40 -1.285523899e-01 
3.42 -1.106162256e-01 
3.44 -9.394940928e-02 
3.46 -7.864149053e-02 
3.48 -6.476237875e-02 
3.50 -5.235967638e-02 
3.52 -4.145617027e-02 
3.54 -3.204764004e-02 
3.56 -2.410119418e-02 
3.58 -1.755440163e-02 
3.60 -1.231554479e-02 
3.62 -8.265364915e-03 
3.64 -5.260680272e-03 
3.66 -3.140190698e-03 
3.68 -1.732588216e-03 
3.70 -8.667160905e-04 
3.72 -3.829295152e-04 
3.74 -1.440696841e-04 
3.76 -4.380225041e-05 
3.78 -9.955298731e-06 
3.80 -1.498351140e-06 
3.82 -1.223459320e-07 
3.84 -3.808948944e-09 
3.86 -2.271085341e-11 
3.88 -5.510305597e-15 
3.90 -6.924383879e-22 
3.92 -2.793758611e-40 
3.94 -9.745556388e-242 
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