# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Jeong-G-U-Lee-B-J--Pt-C
# implementation = 2020--Jeong-G-U--Pt-C--LAMMPS--ipr1
# composition = C2Pt
# 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 2024-11-27

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  1.311876425e+03 
0.86  1.199769968e+03 
0.88  1.096672593e+03 
0.90  1.001900093e+03 
0.92  9.148169585e+02 
0.94  8.348331817e+02 
0.96  7.614012454e+02 
0.98  6.940132987e+02 
1.00  6.321985012e+02 
1.02  5.755205280e+02 
1.04  5.235752277e+02 
1.06  4.759884236e+02 
1.08  4.324138508e+02 
1.10  3.925312221e+02 
1.12  3.560444150e+02 
1.14  3.226797731e+02 
1.16  2.921845160e+02 
1.18  2.643252520e+02 
1.20  2.388865858e+02 
1.22  2.156698192e+02 
1.24  1.944917357e+02 
1.26  1.751834676e+02 
1.28  1.575894382e+02 
1.30  1.415663761e+02 
1.32  1.269823968e+02 
1.34  1.137161477e+02 
1.36  1.016560126e+02 
1.38  9.069937151e+01 
1.40  8.075191366e+01 
1.42  7.172699859e+01 
1.44  6.354506355e+01 
1.46  5.613307372e+01 
1.48  4.942401237e+01 
1.50  4.335640858e+01 
1.52  3.787389972e+01 
1.54  3.292482658e+01 
1.56  2.846185878e+01 
1.58  2.444164839e+01 
1.60  2.082450980e+01 
1.62  1.757412410e+01 
1.64  1.465726597e+01 
1.66  1.204355181e+01 
1.68  9.705207291e+00 
1.70  7.616853078e+00 
1.72  5.755307327e+00 
1.74  4.099403755e+00 
1.76  2.629824096e+00 
1.78  1.328943890e+00 
1.80  1.806905827e-01 
1.82 -8.295869776e-01 
1.84 -1.715238531e+00 
1.86 -2.488422682e+00 
1.88 -3.160208209e+00 
1.90 -3.740667106e+00 
1.92 -4.238960002e+00 
1.94 -4.663414548e+00 
1.96 -5.021597329e+00 
1.98 -5.320379821e+00 
2.00 -5.565998845e+00 
2.02 -5.764111985e+00 
2.04 -5.919847485e+00 
2.06 -6.037783616e+00 
2.08 -6.121963576e+00 
2.10 -6.176059603e+00 
2.12 -6.203415690e+00 
2.14 -6.207074589e+00 
2.16 -6.189802680e+00 
2.18 -6.154112892e+00 
2.20 -6.102285799e+00 
2.22 -6.036389045e+00 
2.24 -5.958295230e+00 
2.26 -5.869698358e+00 
2.28 -5.772128970e+00 
2.30 -5.666968063e+00 
2.32 -5.555459883e+00 
2.34 -5.438723682e+00 
2.36 -5.317764522e+00 
2.38 -5.193483201e+00 
2.40 -5.066685358e+00 
2.42 -4.938089844e+00 
2.44 -4.808336388e+00 
2.46 -4.677992646e+00 
2.48 -4.547560651e+00 
2.50 -4.417482735e+00 
2.52 -4.288146955e+00 
2.54 -4.159892063e+00 
2.56 -4.033012062e+00 
2.58 -3.907760375e+00 
2.60 -3.784353674e+00 
2.62 -3.662975369e+00 
2.64 -3.543778827e+00 
2.66 -3.426890301e+00 
2.68 -3.312411632e+00 
2.70 -3.200422717e+00 
2.72 -3.090983783e+00 
2.74 -2.984137474e+00 
2.76 -2.879910781e+00 
2.78 -2.778316814e+00 
2.80 -2.679356450e+00 
2.82 -2.583019861e+00 
2.84 -2.489287934e+00 
2.86 -2.398133601e+00 
2.88 -2.309523078e+00 
2.90 -2.223417037e+00 
2.92 -2.139771704e+00 
2.94 -2.058539892e+00 
2.96 -1.979671975e+00 
2.98 -1.903116801e+00 
3.00 -1.828822549e+00 
3.02 -1.756737509e+00 
3.04 -1.686810810e+00 
3.06 -1.618993060e+00 
3.08 -1.553236905e+00 
3.10 -1.489497501e+00 
3.12 -1.427732874e+00 
3.14 -1.367904178e+00 
3.16 -1.309975831e+00 
3.18 -1.253915524e+00 
3.20 -1.199694108e+00 
3.22 -1.147285354e+00 
3.24 -1.096665593e+00 
3.26 -1.047813248e+00 
3.28 -1.000708277e+00 
3.30 -9.553315382e-01 
3.32 -9.116641144e-01 
3.34 -8.696866171e-01 
3.36 -8.293785023e-01 
3.38 -7.907174272e-01 
3.40 -7.536786784e-01 
3.42 -7.182346942e-01 
3.44 -6.843547028e-01 
3.46 -6.520044917e-01 
3.48 -6.211463137e-01 
3.50 -5.917389331e-01 
3.52 -5.637378040e-01 
3.54 -5.370953689e-01 
3.56 -5.117614616e-01 
3.58 -4.876837907e-01 
3.60 -4.648084825e-01 
3.62 -4.430806567e-01 
3.64 -4.224450121e-01 
3.66 -4.028463995e-01 
3.68 -3.842303615e-01 
3.70 -3.665436235e-01 
3.72 -3.497345225e-01 
3.74 -3.337533658e-01 
3.76 -3.185527145e-01 
3.78 -3.040875903e-01 
3.80 -2.903156079e-01 
3.82 -2.772030747e-01 
3.84 -2.652314265e-01 
3.86 -2.566605058e-01 
3.88 -2.535051814e-01 
3.90 -2.481320087e-01 
3.92 -2.369465451e-01 
3.94 -2.262533367e-01 
3.96 -2.160314907e-01 
3.98 -2.062609432e-01 
4.00 -1.969224309e-01 
4.02 -1.879974646e-01 
4.04 -1.794683025e-01 
4.06 -1.713179234e-01 
4.08 -1.635300012e-01 
4.10 -1.560888799e-01 
4.12 -1.489795485e-01 
4.14 -1.421876171e-01 
4.16 -1.356992935e-01 
4.18 -1.295013603e-01 
4.20 -1.235811529e-01 
4.22 -1.179265378e-01 
4.24 -1.125258921e-01 
4.26 -1.073680834e-01 
4.28 -1.024424498e-01 
4.30 -9.773878221e-02 
4.32 -9.324730520e-02 
4.34 -8.895866019e-02 
4.36 -8.486388834e-02 
4.38 -8.095441443e-02 
4.40 -7.722203117e-02 
4.42 -7.343117468e-02 
4.44 -6.682033286e-02 
4.46 -5.122771387e-02 
4.48 -2.303933672e-02 
4.50 -8.170676191e-23 
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