# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr
# implementation = 2011--Bonny-G--Fe-Ni-Cr--LAMMPS--ipr2
# composition = CrFe2
# 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  nan             
0.80  nan             
0.82  nan             
0.84  nan             
0.86  nan             
0.88  8.776181782e+03 
0.90  8.029286705e+03 
0.92  7.354431898e+03 
0.94  6.742875383e+03 
0.96  6.186843117e+03 
0.98  5.679666523e+03 
1.00  5.216478416e+03 
1.02  4.793689219e+03 
1.04  4.406860203e+03 
1.06  4.052697298e+03 
1.08  3.728005444e+03 
1.10  3.429690403e+03 
1.12  3.156469020e+03 
1.14  2.906038188e+03 
1.16  2.675375670e+03 
1.18  2.462786598e+03 
1.20  2.266844534e+03 
1.22  2.085710770e+03 
1.24  1.917883482e+03 
1.26  1.762158855e+03 
1.28  1.617434297e+03 
1.30  1.482717499e+03 
1.32  1.357146592e+03 
1.34  1.240245060e+03 
1.36  1.131989632e+03 
1.38  1.032090897e+03 
1.40  9.394662544e+02 
1.42  8.530241797e+02 
1.44  7.721239520e+02 
1.46  6.964524655e+02 
1.48  6.260580659e+02 
1.50  5.610956341e+02 
1.52  5.011709150e+02 
1.54  4.455214681e+02 
1.56  3.935677392e+02 
1.58  3.449886211e+02 
1.60  2.995643630e+02 
1.62  2.570834932e+02 
1.64  2.173550884e+02 
1.66  1.802739168e+02 
1.68  1.457311116e+02 
1.70  1.141026197e+02 
1.72  8.861649568e+01 
1.74  6.862863116e+01 
1.76  5.296332578e+01 
1.78  4.068123522e+01 
1.80  3.105479391e+01 
1.82  2.351893685e+01 
1.84  1.762782736e+01 
1.86  1.302992773e+01 
1.88  9.453553720e+00 
1.90  6.686232866e+00 
1.92  4.554488820e+00 
1.94  2.912875353e+00 
1.96  1.644548439e+00 
1.98  6.604118087e-01 
2.00 -1.075728198e-01 
2.02 -7.124739260e-01 
2.04 -1.192726598e+00 
2.06 -1.577993663e+00 
2.08 -1.891705188e+00 
2.10 -2.151788894e+00 
2.12 -2.370061007e+00 
2.14 -2.554865195e+00 
2.16 -2.712069741e+00 
2.18 -2.845817532e+00 
2.20 -2.958708247e+00 
2.22 -3.052165159e+00 
2.24 -3.126855222e+00 
2.26 -3.183187970e+00 
2.28 -3.222063098e+00 
2.30 -3.246113719e+00 
2.32 -3.260415667e+00 
2.34 -3.271818093e+00 
2.36 -3.285918031e+00 
2.38 -3.304019696e+00 
2.40 -3.323642459e+00 
2.42 -3.341366148e+00 
2.44 -3.354948193e+00 
2.46 -3.363522856e+00 
2.48 -3.367094030e+00 
2.50 -3.365788195e+00 
2.52 -3.359753175e+00 
2.54 -3.349161524e+00 
2.56 -3.334210043e+00 
2.58 -3.315118869e+00 
2.60 -3.292130242e+00 
2.62 -3.265507106e+00 
2.64 -3.235537284e+00 
2.66 -3.202538394e+00 
2.68 -3.166845252e+00 
2.70 -3.128801698e+00 
2.72 -3.088695364e+00 
2.74 -3.046776120e+00 
2.76 -3.003300793e+00 
2.78 -2.958534403e+00 
2.80 -2.912755822e+00 
2.82 -2.866268876e+00 
2.84 -2.819405552e+00 
2.86 -2.772503044e+00 
2.88 -2.725873433e+00 
2.90 -2.679794202e+00 
2.92 -2.634427714e+00 
2.94 -2.589870908e+00 
2.96 -2.546200184e+00 
2.98 -2.503293281e+00 
3.00 -2.460925158e+00 
3.02 -2.418856126e+00 
3.04 -2.376827250e+00 
3.06 -2.334548156e+00 
3.08 -2.291691357e+00 
3.10 -2.247890236e+00 
3.12 -2.202732340e+00 
3.14 -2.155755870e+00 
3.16 -2.106455285e+00 
3.18 -2.054343753e+00 
3.20 -1.999089146e+00 
3.22 -1.940548698e+00 
3.24 -1.879001758e+00 
3.26 -1.815323718e+00 
3.28 -1.751095077e+00 
3.30 -1.688495145e+00 
3.32 -1.629810758e+00 
3.34 -1.576700146e+00 
3.36 -1.529653243e+00 
3.38 -1.488014452e+00 
3.40 -1.450458121e+00 
3.42 -1.415564962e+00 
3.44 -1.382226322e+00 
3.46 -1.349760122e+00 
3.48 -1.317891489e+00 
3.50 -1.286564063e+00 
3.52 -1.255733103e+00 
3.54 -1.225346078e+00 
3.56 -1.195340774e+00 
3.58 -1.165642945e+00 
3.60 -1.136163478e+00 
3.62 -1.106795186e+00 
3.64 -1.077409617e+00 
3.66 -1.047854648e+00 
3.68 -1.017954425e+00 
3.70 -9.875143169e-01 
3.72 -9.563349757e-01 
3.74 -9.242501819e-01 
3.76 -8.911790677e-01 
3.78 -8.571674752e-01 
3.80 -8.224427294e-01 
3.82 -7.874422161e-01 
3.84 -7.527871720e-01 
3.86 -7.190176465e-01 
3.88 -6.885058062e-01 
3.90 -6.525262336e-01 
3.92 -6.218800673e-01 
3.94 -5.995525894e-01 
3.96 -5.819561391e-01 
3.98 -5.665584135e-01 
4.00 -5.520851553e-01 
4.02 -5.381292567e-01 
4.04 -5.246681306e-01 
4.06 -5.117080843e-01 
4.08 -4.992498393e-01 
4.10 -4.872742226e-01 
4.12 -4.757604266e-01 
4.14 -4.646873361e-01 
4.16 -4.540324205e-01 
4.18 -4.437753938e-01 
4.20 -4.338946136e-01 
4.22 -4.243670485e-01 
4.24 -4.151723359e-01 
4.26 -4.062902035e-01 
4.28 -3.976959071e-01 
4.30 -3.893681564e-01 
4.32 -3.812873349e-01 
4.34 -3.734332941e-01 
4.36 -3.657786774e-01 
4.38 -3.583022685e-01 
4.40 -3.509849780e-01 
4.42 -3.438115978e-01 
4.44 -3.367773524e-01 
4.46 -3.298668514e-01 
4.48 -3.230806917e-01 
4.50 -3.164223323e-01 
4.52 -3.098950344e-01 
4.54 -3.035017755e-01 
4.56 -2.972447143e-01 
4.58 -2.910134435e-01 
4.60 -2.847844016e-01 
4.62 -2.786335378e-01 
4.64 -2.726202583e-01 
4.66 -2.667901329e-01 
4.68 -2.611772046e-01 
4.70 -2.558059574e-01 
4.72 -2.506929892e-01 
4.74 -2.458484322e-01 
4.76 -2.413669466e-01 
4.78 -2.372221215e-01 
4.80 -2.332642089e-01 
4.82 -2.293757266e-01 
4.84 -2.254658554e-01 
4.86 -2.214656492e-01 
4.88 -2.173239400e-01 
4.90 -2.130038291e-01 
4.92 -2.084796722e-01 
4.94 -2.037344720e-01 
4.96 -1.987576040e-01 
4.98 -1.935428023e-01 
5.00 -1.880863397e-01 
5.02 -1.823853351e-01 
5.04 -1.764361217e-01 
5.06 -1.702028566e-01 
5.08 -1.636879138e-01 
5.10 -1.569316837e-01 
5.12 -1.499591194e-01 
5.14 -1.427803344e-01 
5.16 -1.353910168e-01 
5.18 -1.277728676e-01 
5.20 -1.198944397e-01 
5.22 -1.117130191e-01 
5.24 -1.031785916e-01 
5.26 -9.424144838e-02 
5.28 -8.486542775e-02 
5.30 -7.504869378e-02 
5.32 -6.485229517e-02 
5.34 -5.443221158e-02 
5.36 -4.406275499e-02 
5.38 -3.413143609e-02 
5.40 -2.508693979e-02 
5.42 -1.734201731e-02 
5.44 -1.116571414e-02 
5.46 -6.616649053e-03 
5.48 -3.548623901e-03 
5.50 -1.676978866e-03 
5.52 -6.662650158e-04 
5.54 -2.030944046e-04 
5.56 -3.849704868e-05 
5.58 -2.304708140e-06 
5.60 -1.306944240e-11 
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