# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Co-Cr
# implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1
# composition = Co2Ni
# 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  nan             
0.90  nan             
0.92  1.113737175e+04 
0.94  1.016925540e+04 
0.96  9.281867234e+03 
0.98  8.466845161e+03 
1.00  7.717050274e+03 
1.02  7.025472746e+03 
1.04  6.386107725e+03 
1.06  5.794403350e+03 
1.08  5.246255018e+03 
1.10  4.737927868e+03 
1.12  4.266056612e+03 
1.14  3.827601802e+03 
1.16  3.419805761e+03 
1.18  3.040150197e+03 
1.20  2.686332207e+03 
1.22  2.356286445e+03 
1.24  2.048144176e+03 
1.26  1.760197006e+03 
1.28  1.490874014e+03 
1.30  1.238736663e+03 
1.32  1.002475664e+03 
1.34  7.809465035e+02 
1.36  5.897060040e+02 
1.38  4.448083911e+02 
1.40  3.362079771e+02 
1.42  2.546306037e+02 
1.44  1.932053813e+02 
1.46  1.468435109e+02 
1.48  1.117718880e+02 
1.50  8.518641246e+01 
1.52  6.499615681e+01 
1.54  4.963717595e+01 
1.56  3.793554722e+01 
1.58  2.900766598e+01 
1.60  2.217780716e+01 
1.62  1.692873759e+01 
1.64  1.287036819e+01 
1.66  9.712791903e+00 
1.68  7.240354405e+00 
1.70  5.291920864e+00 
1.72  3.746807164e+00 
1.74  2.515996359e+00 
1.76  1.533494991e+00 
1.78  7.494573000e-01 
1.80  1.262137317e-01 
1.82 -3.844102007e-01 
1.84 -8.221147744e-01 
1.86 -1.201594931e+00 
1.88 -1.534697852e+00 
1.90 -1.831093740e+00 
1.92 -2.098974003e+00 
1.94 -2.345009554e+00 
1.96 -2.572604473e+00 
1.98 -2.782850518e+00 
2.00 -2.975806263e+00 
2.02 -3.151166724e+00 
2.04 -3.308623156e+00 
2.06 -3.448213205e+00 
2.08 -3.570481624e+00 
2.10 -3.676508883e+00 
2.12 -3.767734861e+00 
2.14 -3.845755899e+00 
2.16 -3.912200263e+00 
2.18 -3.968484068e+00 
2.20 -4.015358844e+00 
2.22 -4.052438315e+00 
2.24 -4.078413715e+00 
2.26 -4.092977253e+00 
2.28 -4.097785365e+00 
2.30 -4.096360268e+00 
2.32 -4.091901416e+00 
2.34 -4.085409578e+00 
2.36 -4.076502436e+00 
2.38 -4.064466339e+00 
2.40 -4.048693094e+00 
2.42 -4.028930354e+00 
2.44 -4.005097268e+00 
2.46 -3.977182436e+00 
2.48 -3.945507181e+00 
2.50 -3.910848086e+00 
2.52 -3.874532853e+00 
2.54 -3.838042105e+00 
2.56 -3.802091795e+00 
2.58 -3.766704694e+00 
2.60 -3.731492877e+00 
2.62 -3.695877182e+00 
2.64 -3.659247921e+00 
2.66 -3.621075992e+00 
2.68 -3.580983366e+00 
2.70 -3.538777942e+00 
2.72 -3.494458188e+00 
2.74 -3.448192544e+00 
2.76 -3.400277890e+00 
2.78 -3.351080812e+00 
2.80 -3.300964757e+00 
2.82 -3.250215571e+00 
2.84 -3.199067388e+00 
2.86 -3.147764243e+00 
2.88 -3.096547927e+00 
2.90 -3.045645551e+00 
2.92 -2.995266652e+00 
2.94 -2.945610261e+00 
2.96 -2.896874290e+00 
2.98 -2.849204248e+00 
3.00 -2.802645816e+00 
3.02 -2.757160195e+00 
3.04 -2.712655424e+00 
3.06 -2.669022247e+00 
3.08 -2.626158721e+00 
3.10 -2.583986200e+00 
3.12 -2.542453635e+00 
3.14 -2.501525823e+00 
3.16 -2.461159440e+00 
3.18 -2.421304450e+00 
3.20 -2.381913961e+00 
3.22 -2.342945816e+00 
3.24 -2.304363356e+00 
3.26 -2.266135763e+00 
3.28 -2.228238068e+00 
3.30 -2.190650883e+00 
3.32 -2.153359927e+00 
3.34 -2.116355400e+00 
3.36 -2.079631257e+00 
3.38 -2.043184436e+00 
3.40 -2.007014068e+00 
3.42 -1.971120727e+00 
3.44 -1.935505737e+00 
3.46 -1.900170569e+00 
3.48 -1.865116352e+00 
3.50 -1.830343508e+00 
3.52 -1.795851539e+00 
3.54 -1.761638954e+00 
3.56 -1.727703354e+00 
3.58 -1.694041664e+00 
3.60 -1.660650504e+00 
3.62 -1.627526698e+00 
3.64 -1.594667883e+00 
3.66 -1.562073211e+00 
3.68 -1.529744116e+00 
3.70 -1.497684759e+00 
3.72 -1.465900872e+00 
3.74 -1.434398874e+00 
3.76 -1.403185678e+00 
3.78 -1.372268531e+00 
3.80 -1.341654843e+00 
3.82 -1.311352021e+00 
3.84 -1.281367316e+00 
3.86 -1.251707682e+00 
3.88 -1.222379665e+00 
3.90 -1.193389320e+00 
3.92 -1.164742175e+00 
3.94 -1.136443246e+00 
3.96 -1.108497106e+00 
3.98 -1.080908035e+00 
4.00 -1.053680246e+00 
4.02 -1.026818212e+00 
4.04 -1.000327090e+00 
4.06 -9.742132754e-01 
4.08 -9.484850785e-01 
4.10 -9.231535536e-01 
4.12 -8.982334846e-01 
4.14 -8.737445481e-01 
4.16 -8.497126706e-01 
4.18 -8.261699646e-01 
4.20 -8.031449429e-01 
4.22 -7.806560409e-01 
4.24 -7.587127788e-01 
4.26 -7.373171453e-01 
4.28 -7.164648514e-01 
4.30 -6.961463870e-01 
4.32 -6.763479315e-01 
4.34 -6.570521453e-01 
4.36 -6.382388483e-01 
4.38 -6.198856132e-01 
4.40 -6.019682787e-01 
4.42 -5.844614055e-01 
4.44 -5.673386642e-01 
4.46 -5.505732174e-01 
4.48 -5.341380961e-01 
4.50 -5.180067254e-01 
4.52 -5.021530231e-01 
4.54 -4.865518082e-01 
4.56 -4.711799903e-01 
4.58 -4.560157439e-01 
4.60 -4.410405235e-01 
4.62 -4.262386540e-01 
4.64 -4.115987710e-01 
4.66 -3.971138772e-01 
4.68 -3.827844007e-01 
4.70 -3.686141898e-01 
4.72 -3.546214312e-01 
4.74 -3.408258097e-01 
4.76 -3.272630179e-01 
4.78 -3.139877208e-01 
4.80 -3.010496106e-01 
4.82 -2.885275261e-01 
4.84 -2.765044114e-01 
4.86 -2.650139220e-01 
4.88 -2.539164508e-01 
4.90 -2.433503174e-01 
4.92 -2.334513902e-01 
4.94 -2.242964203e-01 
4.96 -2.159371631e-01 
4.98 -2.084524389e-01 
5.00 -2.014568203e-01 
5.02 -1.945953290e-01 
5.04 -1.875539040e-01 
5.06 -1.801975696e-01 
5.08 -1.725678369e-01 
5.10 -1.647177328e-01 
5.12 -1.567177541e-01 
5.14 -1.486271416e-01 
5.16 -1.403775444e-01 
5.18 -1.319388266e-01 
5.20 -1.233226861e-01 
5.22 -1.145690918e-01 
5.24 -1.057358839e-01 
5.26 -9.687485992e-02 
5.28 -8.809875841e-02 
5.30 -7.959027474e-02 
5.32 -7.147375912e-02 
5.34 -6.382689585e-02 
5.36 -5.669317874e-02 
5.38 -5.009152742e-02 
5.40 -4.402360566e-02 
5.42 -3.847930848e-02 
5.44 -3.344080449e-02 
5.46 -2.888545129e-02 
5.48 -2.478784385e-02 
5.50 -2.112120671e-02 
5.52 -1.785829965e-02 
5.54 -1.497197213e-02 
5.56 -1.243547319e-02 
5.58 -1.022259959e-02 
5.60 -8.307745751e-03 
5.62 -6.665902928e-03 
5.64 -5.272641970e-03 
5.66 -4.104103733e-03 
5.68 -3.137012596e-03 
5.70 -2.348721830e-03 
5.72 -1.717294212e-03 
5.74 -1.221616988e-03 
5.76 -8.415469501e-04 
5.78 -5.580787269e-04 
5.80 -3.535272608e-04 
5.82 -2.117137734e-04 
5.84 -1.181431240e-04 
5.86 -6.015932682e-05 
5.88 -2.706500219e-05 
5.90 -1.018966308e-05 
5.92 -2.890934375e-06 
5.94 -4.720394982e-07 
5.96  1.852458901e-09 
5.98  6.562070269e-09 
6.00  4.962167370e-15