# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn
# implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1
# 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 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  nan             
0.86  nan             
0.88  6.956101268e+04 
0.90  6.333506266e+04 
0.92  5.771306350e+04 
0.94  5.262029590e+04 
0.96  4.799029449e+04 
0.98  4.376641256e+04 
1.00  3.990871685e+04 
1.02  3.638866315e+04 
1.04  3.316883555e+04 
1.06  3.022237295e+04 
1.08  2.752227161e+04 
1.10  2.504188000e+04 
1.12  2.277155129e+04 
1.14  2.069183015e+04 
1.16  1.877639871e+04 
1.18  1.701151777e+04 
1.20  1.538593221e+04 
1.22  1.388437400e+04 
1.24  1.249448028e+04 
1.26  1.120596821e+04 
1.28  1.000915238e+04 
1.30  8.895322469e+03 
1.32  7.856995422e+03 
1.34  6.890322060e+03 
1.36  5.995724268e+03 
1.38  5.171054354e+03 
1.40  4.406606239e+03 
1.42  3.692564564e+03 
1.44  3.023317376e+03 
1.46  2.396356914e+03 
1.48  1.846351504e+03 
1.50  1.425548111e+03 
1.52  1.105015386e+03 
1.54  8.583379120e+02 
1.56  6.671001162e+02 
1.58  5.184916682e+02 
1.60  4.029628443e+02 
1.62  3.131136793e+02 
1.64  2.432274705e+02 
1.66  1.889622079e+02 
1.68  1.468730619e+02 
1.70  1.141529818e+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  6.686232867e+00 
1.92  4.554488820e+00 
1.94  2.912875353e+00 
1.96  1.644548439e+00 
1.98  6.604118086e-01 
2.00 -1.075728249e-01 
2.02 -7.124739262e-01 
2.04 -1.192726598e+00 
2.06 -1.577993663e+00 
2.08 -1.891705187e+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 -1.879001759e+00 
3.26 -1.815323721e+00 
3.28 -1.751095078e+00 
3.30 -1.688495150e+00 
3.32 -1.629810761e+00 
3.34 -1.576700154e+00 
3.36 -1.529653245e+00 
3.38 -1.488014464e+00 
3.40 -1.450458137e+00 
3.42 -1.415564981e+00 
3.44 -1.382226341e+00 
3.46 -1.349760134e+00 
3.48 -1.317891487e+00 
3.50 -1.286564074e+00 
3.52 -1.255733144e+00 
3.54 -1.225346100e+00 
3.56 -1.195340773e+00 
3.58 -1.165643013e+00 
3.60 -1.136163487e+00 
3.62 -1.106795236e+00 
3.64 -1.077409679e+00 
3.66 -1.047854678e+00 
3.68 -1.017954527e+00 
3.70 -9.875143578e-01 
3.72 -9.563351096e-01 
3.74 -9.242502785e-01 
3.76 -8.911790454e-01 
3.78 -8.571680004e-01 
3.80 -8.224414297e-01 
3.82 -7.874423677e-01 
3.84 -7.529552736e-01 
3.86 -7.204349673e-01 
3.88 -6.805626208e-01 
3.90 -6.453492244e-01 
3.92 -6.190033746e-01 
3.94 -5.987273627e-01 
3.96 -5.818059101e-01 
3.98 -5.665490436e-01 
4.00 -5.520828986e-01 
4.02 -5.381287792e-01 
4.04 -5.246700329e-01 
4.06 -5.117079606e-01 
4.08 -4.992455515e-01 
4.10 -4.872687312e-01 
4.12 -4.757611609e-01 
4.14 -4.646903067e-01 
4.16 -4.540252095e-01 
4.18 -4.437528114e-01 
4.20 -4.338597380e-01 
4.22 -4.243321688e-01 
4.24 -4.151557448e-01 
4.26 -4.062641700e-01 
4.28 -3.974674259e-01 
4.30 -3.888360031e-01 
4.32 -3.804466094e-01 
4.34 -3.723542083e-01 
4.36 -3.645956429e-01 
4.38 -3.571927198e-01 
4.40 -3.501548303e-01 
4.42 -3.434844570e-01 
4.44 -3.372272071e-01 
4.46 -3.315103810e-01 
4.48 -3.261486776e-01 
4.50 -3.209594841e-01 
4.52 -3.158022775e-01 
4.54 -3.105713144e-01 
4.56 -3.051894328e-01 
4.58 -2.996028086e-01 
4.60 -2.937765290e-01 
4.62 -2.876908637e-01 
4.64 -2.813381338e-01 
4.66 -2.747200880e-01 
4.68 -2.678457123e-01 
4.70 -2.607294066e-01 
4.72 -2.533894736e-01 
4.74 -2.458468688e-01 
4.76 -2.380888594e-01 
4.78 -2.301484871e-01 
4.80 -2.221058421e-01 
4.82 -2.140271041e-01 
4.84 -2.059664640e-01 
4.86 -1.979677747e-01 
4.88 -1.900659645e-01 
4.90 -1.822882391e-01 
4.92 -1.746550982e-01 
4.94 -1.671811840e-01 
4.96 -1.598759790e-01 
4.98 -1.527443654e-01 
5.00 -1.457870546e-01 
5.02 -1.390008930e-01 
5.04 -1.323790495e-01 
5.06 -1.259110848e-01 
5.08 -1.195829061e-01 
5.10 -1.133766113e-01 
5.12 -1.072702346e-01 
5.14 -1.012374253e-01 
5.16 -9.524711934e-02 
5.18 -8.926332835e-02 
5.20 -8.324526632e-02 
5.22 -7.714819809e-02 
5.24 -7.092562478e-02 
5.26 -6.453371502e-02 
5.28 -5.793914596e-02 
5.30 -5.113146524e-02 
5.32 -4.414017672e-02 
5.34 -3.705423200e-02 
5.36 -3.003714523e-02 
5.38 -2.332612977e-02 
5.40 -1.720336949e-02 
5.42 -1.193771593e-02 
5.44 -7.714538898e-03 
5.46 -4.585793495e-03 
5.48 -2.465116859e-03 
5.50 -1.166682716e-03 
5.52 -4.639102110e-04 
5.54 -1.414664720e-04 
5.56 -2.681904797e-05 
5.58 -1.605628445e-06 
5.60 -9.134270745e-12 
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