# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn
# implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1
# composition = MnNi2
# 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 2024-01-04

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  nan             
0.88  4.747740088e+02 
0.90  4.307883374e+02 
0.92  3.913548625e+02 
0.94  3.564105366e+02 
0.96  3.254449057e+02 
0.98  2.977412336e+02 
1.00  2.726198162e+02 
1.02  2.497396543e+02 
1.04  2.289960701e+02 
1.06  2.102874516e+02 
1.08  1.935199372e+02 
1.10  1.784094399e+02 
1.12  1.646403130e+02 
1.14  1.519239187e+02 
1.16  1.400389046e+02 
1.18  1.288758182e+02 
1.20  1.184125555e+02 
1.22  1.086706626e+02 
1.24  9.965703575e+01 
1.26  9.139351082e+01 
1.28  8.388283251e+01 
1.30  7.703660811e+01 
1.32  7.074887799e+01 
1.34  6.492476721e+01 
1.36  5.946900839e+01 
1.38  5.434752527e+01 
1.40  4.957575980e+01 
1.42  4.517550429e+01 
1.44  4.114042421e+01 
1.46  3.744456430e+01 
1.48  3.404883992e+01 
1.50  3.091588319e+01 
1.52  2.793074098e+01 
1.54  2.474837045e+01 
1.56  2.173355088e+01 
1.58  1.891130304e+01 
1.60  1.629937141e+01 
1.62  1.391189073e+01 
1.64  1.177012188e+01 
1.66  9.893637609e+00 
1.68  8.272764204e+00 
1.70  6.873669906e+00 
1.72  5.665707483e+00 
1.74  4.614448451e+00 
1.76  3.683880799e+00 
1.78  2.838605642e+00 
1.80  2.060452116e+00 
1.82  1.348372236e+00 
1.84  7.019793902e-01 
1.86  1.209708392e-01 
1.88 -3.924144412e-01 
1.90 -8.368721504e-01 
1.92 -1.217195207e+00 
1.94 -1.542130525e+00 
1.96 -1.819606138e+00 
1.98 -2.057574154e+00 
2.00 -2.264043854e+00 
2.02 -2.446488724e+00 
2.04 -2.607863322e+00 
2.06 -2.749842461e+00 
2.08 -2.874086457e+00 
2.10 -2.981837783e+00 
2.12 -3.074480947e+00 
2.14 -3.152746719e+00 
2.16 -3.217688573e+00 
2.18 -3.269925518e+00 
2.20 -3.309820935e+00 
2.22 -3.337743279e+00 
2.24 -3.354442714e+00 
2.26 -3.361897779e+00 
2.28 -3.362118682e+00 
2.30 -3.357098140e+00 
2.32 -3.348776337e+00 
2.34 -3.338870626e+00 
2.36 -3.328258925e+00 
2.38 -3.316359676e+00 
2.40 -3.302393669e+00 
2.42 -3.285062451e+00 
2.44 -3.263226458e+00 
2.46 -3.235953607e+00 
2.48 -3.204564849e+00 
2.50 -3.169733152e+00 
2.52 -3.131396819e+00 
2.54 -3.089484563e+00 
2.56 -3.043943017e+00 
2.58 -2.994717744e+00 
2.60 -2.941752444e+00 
2.62 -2.884988612e+00 
2.64 -2.824365015e+00 
2.66 -2.759817511e+00 
2.68 -2.691278914e+00 
2.70 -2.618683748e+00 
2.72 -2.542380909e+00 
2.74 -2.463451845e+00 
2.76 -2.383050103e+00 
2.78 -2.302326705e+00 
2.80 -2.222430337e+00 
2.82 -2.144507900e+00 
2.84 -2.069704859e+00 
2.86 -1.999165677e+00 
2.88 -1.934034782e+00 
2.90 -1.875456971e+00 
2.92 -1.824578768e+00 
2.94 -1.782318314e+00 
2.96 -1.747457127e+00 
2.98 -1.718731983e+00 
3.00 -1.694665034e+00 
3.02 -1.673758500e+00 
3.04 -1.654512182e+00 
3.06 -1.635423517e+00 
3.08 -1.614987791e+00 
3.10 -1.591698120e+00 
3.12 -1.564045557e+00 
3.14 -1.530519240e+00 
3.16 -1.489607826e+00 
3.18 -1.440494001e+00 
3.20 -1.384184224e+00 
3.22 -1.321979187e+00 
3.24 -1.255178018e+00 
3.26 -1.185078344e+00 
3.28 -1.112976341e+00 
3.30 -1.040166892e+00 
3.32 -9.679434397e-01 
3.34 -8.975980467e-01 
3.36 -8.304214955e-01 
3.38 -7.677033344e-01 
3.40 -7.106768381e-01 
3.42 -6.596499647e-01 
3.44 -6.141626818e-01 
3.46 -5.737305394e-01 
3.48 -5.378682128e-01 
3.50 -5.060890903e-01 
3.52 -4.779052291e-01 
3.54 -4.528277926e-01 
3.56 -4.303669304e-01 
3.58 -4.100318031e-01 
3.60 -3.913307032e-01 
3.62 -3.737711327e-01 
3.64 -3.569390322e-01 
3.66 -3.407363461e-01 
3.68 -3.251436454e-01 
3.70 -3.101411234e-01 
3.72 -2.957096656e-01 
3.74 -2.818279006e-01 
3.76 -2.684712191e-01 
3.78 -2.556524529e-01 
3.80 -2.433317588e-01 
3.82 -2.314433860e-01 
3.84 -2.199735567e-01 
3.86 -2.088637661e-01 
3.88 -1.980896945e-01 
3.90 -1.877099657e-01 
3.92 -1.778042732e-01 
3.94 -1.684230356e-01 
3.96 -1.595682398e-01 
3.98 -1.511871043e-01 
4.00 -1.433461197e-01 
4.02 -1.360853566e-01 
4.04 -1.294512409e-01 
4.06 -1.234786733e-01 
4.08 -1.181888215e-01 
4.10 -1.135957848e-01 
4.12 -1.097122837e-01 
4.14 -1.065542987e-01 
4.16 -1.040004929e-01 
4.18 -1.015104969e-01 
4.20 -9.902928094e-02 
4.22 -9.655597430e-02 
4.24 -9.408991431e-02 
4.26 -9.163015189e-02 
4.28 -8.917571391e-02 
4.30 -8.672585668e-02 
4.32 -8.427911138e-02 
4.34 -8.183502334e-02 
4.36 -7.939161543e-02 
4.38 -7.694811089e-02 
4.40 -7.450393179e-02 
4.42 -7.205365273e-02 
4.44 -6.960580563e-02 
4.46 -6.709258531e-02 
4.48 -6.456154970e-02 
4.50 -6.215843372e-02 
4.52 -6.002479988e-02 
4.54 -5.799904369e-02 
4.56 -5.563549063e-02 
4.58 -5.268066120e-02 
4.60 -4.903609354e-02 
4.62 -4.485803069e-02 
4.64 -4.060721893e-02 
4.66 -3.661673860e-02 
4.68 -3.308956604e-02 
4.70 -3.013279641e-02 
4.72 -2.778761987e-02 
4.74 -2.605532632e-02 
4.76 -2.491941853e-02 
4.78 -2.436367845e-02 
4.80 -2.430147770e-02 
4.82 -2.430147770e-02 
4.84 -2.430147770e-02 
4.86 -2.430147770e-02 
4.88 -2.430147770e-02 
4.90 -2.430147770e-02 
4.92 -2.430147770e-02 
4.94 -2.430147770e-02 
4.96 -2.430147770e-02 
4.98 -2.430147770e-02 
5.00 -2.430147770e-02 
5.02 -2.430147770e-02 
5.04 -2.430147770e-02 
5.06 -2.430147770e-02 
5.08 -2.430147770e-02 
5.10 -2.430147770e-02 
5.12 -2.430147770e-02 
5.14 -2.430147770e-02 
5.16 -2.430147770e-02 
5.18 -2.430147770e-02 
5.20 -2.430147770e-02 
5.22 -2.430147770e-02 
5.24 -2.430147770e-02 
5.26 -2.430147770e-02 
5.28 -2.430147770e-02 
5.30 -2.430147770e-02 
5.32 -2.430147770e-02 
5.34 -2.430147770e-02 
5.36 -2.430147770e-02 
5.38 -2.430147770e-02 
5.40 -2.430147770e-02 
5.42 -2.430147770e-02 
5.44 -2.430147770e-02 
5.46 -2.430147770e-02 
5.48 -2.430147770e-02 
5.50 -2.430147770e-02 
5.52 -2.430147770e-02 
5.54 -2.430147770e-02 
5.56 -2.430147770e-02 
5.58 -2.430147770e-02 
5.60 -2.430147770e-02 
5.62 -2.430147770e-02 
5.64 -2.430147770e-02 
5.66 -2.430147770e-02 
5.68 -2.430147770e-02 
5.70 -2.430147770e-02 
5.72 -2.430147770e-02 
5.74 -2.430147770e-02 
5.76 -2.430147770e-02 
5.78 -2.430147770e-02 
5.80 -2.430147770e-02 
5.82 -2.430147770e-02 
5.84 -2.430147770e-02 
5.86 -2.430147770e-02 
5.88 -2.430147770e-02 
5.90 -2.430147770e-02 
5.92 -2.430147770e-02 
5.94 -2.430147770e-02 
5.96 -2.430147770e-02 
5.98 -2.430147770e-02 
6.00 -2.430147770e-02