# 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 = Mn2Ni
# 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  2.487340945e+03 
0.90  2.247461131e+03 
0.92  2.030162064e+03 
0.94  1.833361999e+03 
0.96  1.654979448e+03 
0.98  1.493011862e+03 
1.00  1.345647195e+03 
1.02  1.211381495e+03 
1.04  1.088804344e+03 
1.06  9.766379399e+02 
1.08  8.738318378e+02 
1.10  7.794537310e+02 
1.12  6.927736793e+02 
1.14  6.131142515e+02 
1.16  5.397700968e+02 
1.18  4.720777650e+02 
1.20  4.094432726e+02 
1.22  3.513777280e+02 
1.24  2.975259390e+02 
1.26  2.516614022e+02 
1.28  2.143421433e+02 
1.30  1.836380668e+02 
1.32  1.580885504e+02 
1.34  1.365930876e+02 
1.36  1.183325211e+02 
1.38  1.027208084e+02 
1.40  8.931739777e+01 
1.42  7.777120510e+01 
1.44  6.777767373e+01 
1.46  5.906985928e+01 
1.48  5.142359334e+01 
1.50  4.466091942e+01 
1.52  3.865711441e+01 
1.54  3.332105494e+01 
1.56  2.858607664e+01 
1.58  2.439594289e+01 
1.60  2.069481414e+01 
1.62  1.743160425e+01 
1.64  1.456291658e+01 
1.66  1.204779336e+01 
1.68  9.847282501e+00 
1.70  7.926775997e+00 
1.72  6.254003397e+00 
1.74  4.799088020e+00 
1.76  3.540920920e+00 
1.78  2.467110960e+00 
1.80  1.564815216e+00 
1.82  8.193706211e-01 
1.84  2.122683045e-01 
1.86 -2.777752189e-01 
1.88 -6.720529701e-01 
1.90 -9.906653420e-01 
1.92 -1.250582244e+00 
1.94 -1.464851504e+00 
1.96 -1.643821359e+00 
1.98 -1.797605179e+00 
2.00 -1.935467517e+00 
2.02 -2.063805558e+00 
2.04 -2.184296046e+00 
2.06 -2.297218778e+00 
2.08 -2.402835267e+00 
2.10 -2.501392716e+00 
2.12 -2.592939852e+00 
2.14 -2.675899834e+00 
2.16 -2.747861003e+00 
2.18 -2.806559490e+00 
2.20 -2.850680717e+00 
2.22 -2.879265014e+00 
2.24 -2.892114765e+00 
2.26 -2.892037873e+00 
2.28 -2.882573961e+00 
2.30 -2.867286133e+00 
2.32 -2.849802177e+00 
2.34 -2.833776196e+00 
2.36 -2.821323322e+00 
2.38 -2.811438067e+00 
2.40 -2.802491078e+00 
2.42 -2.792811890e+00 
2.44 -2.780749773e+00 
2.46 -2.764683365e+00 
2.48 -2.743880753e+00 
2.50 -2.718468702e+00 
2.52 -2.688866989e+00 
2.54 -2.655749956e+00 
2.56 -2.619803887e+00 
2.58 -2.581716425e+00 
2.60 -2.542172632e+00 
2.62 -2.501821368e+00 
2.64 -2.461291802e+00 
2.66 -2.421205416e+00 
2.68 -2.381834398e+00 
2.70 -2.342984346e+00 
2.72 -2.304428170e+00 
2.74 -2.265908929e+00 
2.76 -2.227117592e+00 
2.78 -2.187742580e+00 
2.80 -2.147481466e+00 
2.82 -2.106049804e+00 
2.84 -2.063365611e+00 
2.86 -2.019688628e+00 
2.88 -1.975289878e+00 
2.90 -1.930423455e+00 
2.92 -1.885345996e+00 
2.94 -1.840325455e+00 
2.96 -1.795638017e+00 
2.98 -1.751561278e+00 
3.00 -1.708255541e+00 
3.02 -1.665580591e+00 
3.04 -1.623353460e+00 
3.06 -1.581394315e+00 
3.08 -1.539520234e+00 
3.10 -1.497458163e+00 
3.12 -1.454826015e+00 
3.14 -1.411233017e+00 
3.16 -1.366431750e+00 
3.18 -1.320701899e+00 
3.20 -1.274437973e+00 
3.22 -1.228028950e+00 
3.24 -1.181873919e+00 
3.26 -1.136419174e+00 
3.28 -1.092150191e+00 
3.30 -1.049610368e+00 
3.32 -1.009291360e+00 
3.34 -9.711211877e-01 
3.36 -9.347609759e-01 
3.38 -8.997697331e-01 
3.40 -8.656609360e-01 
3.42 -8.319615043e-01 
3.44 -7.982423934e-01 
3.46 -7.642076887e-01 
3.48 -7.296791072e-01 
3.50 -6.946996897e-01 
3.52 -6.594126954e-01 
3.54 -6.239630032e-01 
3.56 -5.884960244e-01 
3.58 -5.531579294e-01 
3.60 -5.180960177e-01 
3.62 -4.834573589e-01 
3.64 -4.493914191e-01 
3.66 -4.160487271e-01 
3.68 -3.835882912e-01 
3.70 -3.516963396e-01 
3.72 -3.218525725e-01 
3.74 -2.958390988e-01 
3.76 -2.693434247e-01 
3.78 -2.392941404e-01 
3.80 -2.065008965e-01 
3.82 -1.754442230e-01 
3.84 -1.488713401e-01 
3.86 -1.275387954e-01 
3.88 -1.112132256e-01 
3.90 -9.925097400e-02 
3.92 -9.089926044e-02 
3.94 -8.542923354e-02 
3.96 -8.217037169e-02 
3.98 -8.050038378e-02 
4.00 -7.982117339e-02 
4.02 -7.962834763e-02 
4.04 -7.975218825e-02 
4.06 -8.010643342e-02 
4.08 -8.060388289e-02 
4.10 -8.115334603e-02 
4.12 -8.166863286e-02 
4.14 -8.206428895e-02 
4.16 -8.226540221e-02 
4.18 -8.226242068e-02 
4.20 -8.206998952e-02 
4.22 -8.166669480e-02 
4.24 -8.106526445e-02 
4.26 -8.030268451e-02 
4.28 -7.941097942e-02 
4.30 -7.841803484e-02 
4.32 -7.734829831e-02 
4.34 -7.622337499e-02 
4.36 -7.506253317e-02 
4.38 -7.388333002e-02 
4.40 -7.273095019e-02 
4.42 -7.160533953e-02 
4.44 -7.047804644e-02 
4.46 -6.933027700e-02 
4.48 -6.815123405e-02 
4.50 -6.693670839e-02 
4.52 -6.568543809e-02 
4.54 -6.439075649e-02 
4.56 -6.304708794e-02 
4.58 -6.165168252e-02 
4.60 -6.020401806e-02 
4.62 -5.870530051e-02 
4.64 -5.715804812e-02 
4.66 -5.556574652e-02 
4.68 -5.393256404e-02 
4.70 -5.226046660e-02 
4.72 -5.054756448e-02 
4.74 -4.880982741e-02 
4.76 -4.706237754e-02 
4.78 -4.531766610e-02 
4.80 -4.358584904e-02 
4.82 -4.187511034e-02 
4.84 -4.019193951e-02 
4.86 -3.854136875e-02 
4.88 -3.692717494e-02 
4.90 -3.535205016e-02 
4.92 -3.381774430e-02 
4.94 -3.232518245e-02 
4.96 -3.087455929e-02 
4.98 -2.946541202e-02 
5.00 -2.809667299e-02 
5.02 -2.676670265e-02 
5.04 -2.547330306e-02 
5.06 -2.421371191e-02 
5.08 -2.298457708e-02 
5.10 -2.178191233e-02 
5.12 -2.060103612e-02 
5.14 -1.943649896e-02 
5.16 -1.828201087e-02 
5.18 -1.713039189e-02 
5.20 -1.597358746e-02 
5.22 -1.480282111e-02 
5.24 -1.360900110e-02 
5.26 -1.238355365e-02 
5.28 -1.111990432e-02 
5.30 -9.815821856e-03 
5.32 -8.476669506e-03 
5.34 -7.119136324e-03 
5.36 -5.774173878e-03 
5.38 -4.486933975e-03 
5.40 -3.311406770e-03 
5.42 -2.299345140e-03 
5.44 -1.486769968e-03 
5.46 -8.841951832e-04 
5.48 -4.754596344e-04 
5.50 -2.250707365e-04 
5.52 -8.950553890e-05 
5.54 -2.729559292e-05 
5.56 -5.174764485e-06 
5.58 -3.098090471e-07 
5.60 -1.762476353e-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