# 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 = 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 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  1.056006519e+03 
0.90  9.722343865e+02 
0.92  8.966256355e+02 
0.94  8.283967946e+02 
0.96  7.667663712e+02 
0.98  7.108614578e+02 
1.00  6.598398182e+02 
1.02  6.129635021e+02 
1.04  5.695602785e+02 
1.06  5.289992744e+02 
1.08  4.909666886e+02 
1.10  4.552534726e+02 
1.12  4.216581152e+02 
1.14  3.900728525e+02 
1.16  3.604047236e+02 
1.18  3.325335333e+02 
1.20  3.063512276e+02 
1.22  2.817811079e+02 
1.24  2.587117664e+02 
1.26  2.370303637e+02 
1.28  2.167000875e+02 
1.30  1.976579105e+02 
1.32  1.798041442e+02 
1.34  1.630372215e+02 
1.36  1.472999789e+02 
1.38  1.325768717e+02 
1.40  1.188692402e+02 
1.42  1.061807968e+02 
1.44  9.449001168e+01 
1.46  8.375185776e+01 
1.48  7.390335693e+01 
1.50  6.488191052e+01 
1.52  5.665163081e+01 
1.54  4.918207990e+01 
1.56  4.244563488e+01 
1.58  3.640875525e+01 
1.60  3.102181153e+01 
1.62  2.623578369e+01 
1.64  2.200302690e+01 
1.66  1.827342128e+01 
1.68  1.499824301e+01 
1.70  1.213157593e+01 
1.72  9.627541621e+00 
1.74  7.440689419e+00 
1.76  5.539986926e+00 
1.78  3.909456333e+00 
1.80  2.531965502e+00 
1.82  1.389756744e+00 
1.84  4.628720191e-01 
1.86 -2.718589857e-01 
1.88 -8.384120823e-01 
1.90 -1.259416437e+00 
1.92 -1.555363772e+00 
1.94 -1.749641793e+00 
1.96 -1.865943956e+00 
1.98 -1.927941314e+00 
2.00 -1.959370462e+00 
2.02 -1.981742813e+00 
2.04 -2.002900852e+00 
2.06 -2.026257916e+00 
2.08 -2.055019097e+00 
2.10 -2.091260427e+00 
2.12 -2.134950049e+00 
2.14 -2.184246617e+00 
2.16 -2.236469563e+00 
2.18 -2.288884223e+00 
2.20 -2.338381316e+00 
2.22 -2.381653639e+00 
2.24 -2.416157470e+00 
2.26 -2.442393482e+00 
2.28 -2.461971871e+00 
2.30 -2.476952321e+00 
2.32 -2.489540141e+00 
2.34 -2.501961460e+00 
2.36 -2.515503942e+00 
2.38 -2.529070099e+00 
2.40 -2.541255251e+00 
2.42 -2.550643063e+00 
2.44 -2.555796960e+00 
2.46 -2.555316508e+00 
2.48 -2.548701292e+00 
2.50 -2.536306348e+00 
2.52 -2.518776564e+00 
2.54 -2.497007955e+00 
2.56 -2.471904731e+00 
2.58 -2.444367485e+00 
2.60 -2.415259499e+00 
2.62 -2.385398537e+00 
2.64 -2.355599754e+00 
2.66 -2.326669983e+00 
2.68 -2.298942661e+00 
2.70 -2.271959965e+00 
2.72 -2.245179364e+00 
2.74 -2.218058696e+00 
2.76 -2.190056157e+00 
2.78 -2.160630291e+00 
2.80 -2.129239986e+00 
2.82 -2.095346383e+00 
2.84 -2.058601585e+00 
2.86 -2.019007709e+00 
2.88 -1.976604628e+00 
2.90 -1.931436711e+00 
2.92 -1.883561392e+00 
2.94 -1.833038781e+00 
2.96 -1.779929226e+00 
2.98 -1.724293023e+00 
3.00 -1.666108647e+00 
3.02 -1.605405027e+00 
3.04 -1.542363276e+00 
3.06 -1.477166894e+00 
3.08 -1.409999438e+00 
3.10 -1.341044474e+00 
3.12 -1.270485520e+00 
3.14 -1.198505985e+00 
3.16 -1.125435765e+00 
3.18 -1.052136095e+00 
3.20 -9.795882495e-01 
3.22 -9.087730008e-01 
3.24 -8.406703873e-01 
3.26 -7.762598312e-01 
3.28 -7.165215764e-01 
3.30 -6.624357261e-01 
3.32 -6.148701800e-01 
3.34 -5.738618200e-01 
3.36 -5.387882439e-01 
3.38 -5.089762839e-01 
3.40 -4.837503026e-01 
3.42 -4.624317861e-01 
3.44 -4.443389191e-01 
3.46 -4.287859934e-01 
3.48 -4.151122454e-01 
3.50 -4.028750685e-01 
3.52 -3.917322003e-01 
3.54 -3.813425915e-01 
3.56 -3.713655497e-01 
3.58 -3.614609574e-01 
3.60 -3.512893355e-01 
3.62 -3.405112452e-01 
3.64 -3.287882905e-01 
3.66 -3.158361829e-01 
3.68 -3.016870209e-01 
3.70 -2.861856272e-01 
3.72 -2.703520179e-01 
3.74 -2.553941045e-01 
3.76 -2.385608687e-01 
3.78 -2.177723152e-01 
3.80 -1.937276918e-01 
3.82 -1.699389143e-01 
3.84 -1.486621110e-01 
3.86 -1.295522279e-01 
3.88 -1.118131612e-01 
3.90 -9.498378443e-02 
3.92 -7.895305368e-02 
3.94 -6.434802264e-02 
3.96 -5.160318683e-02 
3.98 -4.083144532e-02 
4.00 -3.187455128e-02 
4.02 -2.442315666e-02 
4.04 -1.831231848e-02 
4.06 -1.340019788e-02 
4.08 -9.536078907e-03 
4.10 -6.572099802e-03 
4.12 -4.367878570e-03 
4.14 -2.790959460e-03 
4.16 -1.715186880e-03 
4.18 -1.018430011e-03 
4.20 -5.805347700e-04 
4.22 -2.972338599e-04 
4.24 -1.253955347e-04 
4.26 -3.715423250e-05 
4.28 -4.644279065e-06 
4.30  1.055858119e-14 
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