# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Kim-Y-M-Shin-Y-H-Lee-B-J--Fe-Mn
# implementation = 2009--Kim-Y-M--Fe-Mn--LAMMPS--ipr1
# composition = FeMn2
# 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  4.362060537e+02 
0.74  4.091597898e+02 
0.76  3.836949035e+02 
0.78  3.597222206e+02 
0.80  3.371574702e+02 
0.82  3.159210202e+02 
0.84  2.959376265e+02 
0.86  2.771361955e+02 
0.88  2.594495603e+02 
0.90  2.428142673e+02 
0.92  2.271703755e+02 
0.94  2.124612656e+02 
0.96  1.986334604e+02 
0.98  1.856364531e+02 
1.00  1.734225467e+02 
1.02  1.619467006e+02 
1.04  1.511663860e+02 
1.06  1.410414487e+02 
1.08  1.315339802e+02 
1.10  1.226081941e+02 
1.12  1.142303107e+02 
1.14  1.063684469e+02 
1.16  9.899251235e+01 
1.18  9.207411092e+01 
1.20  8.558644790e+01 
1.22  7.950424183e+01 
1.24  7.380364125e+01 
1.26  6.846214589e+01 
1.28  6.345853219e+01 
1.30  5.877278272e+01 
1.32  5.438601960e+01 
1.34  5.028044131e+01 
1.36  4.643926314e+01 
1.38  4.284666069e+01 
1.40  3.948771659e+01 
1.42  3.634836999e+01 
1.44  3.341536889e+01 
1.46  3.067622500e+01 
1.48  2.811917114e+01 
1.50  2.573312087e+01 
1.52  2.350763039e+01 
1.54  2.143286252e+01 
1.56  1.949955262e+01 
1.58  1.769897640e+01 
1.60  1.602291951e+01 
1.62  1.446364874e+01 
1.64  1.301388489e+01 
1.66  1.166677708e+01 
1.68  1.041587846e+01 
1.70  9.255123302e+00 
1.72  8.178805358e+00 
1.74  7.181557363e+00 
1.76  6.258327873e+00 
1.78  5.404107758e+00 
1.80  4.614181023e+00 
1.82  3.885725790e+00 
1.84  3.213943409e+00 
1.86  2.595130981e+00 
1.88  2.025809790e+00 
1.90  1.502712375e+00 
1.92  1.022770316e+00 
1.94  5.831027094e-01 
1.96  1.810052908e-01 
1.98 -1.860598373e-01 
2.00 -5.204738936e-01 
2.02 -8.244705627e-01 
2.04 -1.100144623e+00 
2.06 -1.349460086e+00 
2.08 -1.574257878e+00 
2.10 -1.776263078e+00 
2.12 -1.957091754e+00 
2.14 -2.118257402e+00 
2.16 -2.261177024e+00 
2.18 -2.387176851e+00 
2.20 -2.497497744e+00 
2.22 -2.593300284e+00 
2.24 -2.675669570e+00 
2.26 -2.745619737e+00 
2.28 -2.804098216e+00 
2.30 -2.851989747e+00 
2.32 -2.890120163e+00 
2.34 -2.919259947e+00 
2.36 -2.940127588e+00 
2.38 -2.953392743e+00 
2.40 -2.959679211e+00 
2.42 -2.959567732e+00 
2.44 -2.953598632e+00 
2.46 -2.942274307e+00 
2.48 -2.926061563e+00 
2.50 -2.905393825e+00 
2.52 -2.880673215e+00 
2.54 -2.852272517e+00 
2.56 -2.820537025e+00 
2.58 -2.785786294e+00 
2.60 -2.748315793e+00 
2.62 -2.708398471e+00 
2.64 -2.666286245e+00 
2.66 -2.622211415e+00 
2.68 -2.576388009e+00 
2.70 -2.529013079e+00 
2.72 -2.480267940e+00 
2.74 -2.430319369e+00 
2.76 -2.379320770e+00 
2.78 -2.327413309e+00 
2.80 -2.274727031e+00 
2.82 -2.221381960e+00 
2.84 -2.167489200e+00 
2.86 -2.113152026e+00 
2.88 -2.058466982e+00 
2.90 -2.003524990e+00 
2.92 -1.948412457e+00 
2.94 -1.893212388e+00 
2.96 -1.838005501e+00 
2.98 -1.782871321e+00 
3.00 -1.727889245e+00 
3.02 -1.673139553e+00 
3.04 -1.618618739e+00 
3.06 -1.555310194e+00 
3.08 -1.436614845e+00 
3.10 -1.207254667e+00 
3.12 -1.054365587e+00 
3.14 -1.023754825e+00 
3.16 -9.942851399e-01 
3.18 -9.658961732e-01 
3.20 -9.385240853e-01 
3.22 -9.121038591e-01 
3.24 -8.865713440e-01 
3.26 -8.618649748e-01 
3.28 -8.379271202e-01 
3.30 -8.147050474e-01 
3.32 -7.921515077e-01 
3.34 -7.702249742e-01 
3.36 -7.488895767e-01 
3.38 -7.281147909e-01 
3.40 -7.078749476e-01 
3.42 -6.881486247e-01 
3.44 -6.689179828e-01 
3.46 -6.501680978e-01 
3.48 -6.318863295e-01 
3.50 -6.140617572e-01 
3.52 -5.951263503e-01 
3.54 -5.556546938e-01 
3.56 -4.482199305e-01 
3.58 -2.270437452e-01 
3.60 -1.016088408e-22 
3.62  0.000000000e+00 
3.64  0.000000000e+00 
3.66  0.000000000e+00 
3.68  0.000000000e+00 
3.70  0.000000000e+00 
3.72  0.000000000e+00 
3.74  0.000000000e+00 
3.76  0.000000000e+00 
3.78  0.000000000e+00 
3.80  0.000000000e+00 
3.82  0.000000000e+00 
3.84  0.000000000e+00 
3.86  0.000000000e+00 
3.88  0.000000000e+00 
3.90  0.000000000e+00 
3.92  0.000000000e+00 
3.94  0.000000000e+00 
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