# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu
# implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 -2.066405787e+02 
0.92 -1.982252024e+02 
0.94 -1.892175365e+02 
0.96 -1.797096908e+02 
0.98 -1.707144232e+02 
1.00 -1.628268088e+02 
1.02 -1.557698748e+02 
1.04 -1.489771981e+02 
1.06 -1.423572410e+02 
1.08 -1.361017303e+02 
1.10 -1.300270488e+02 
1.12 -1.238111697e+02 
1.14 -1.173569948e+02 
1.16 -1.107128164e+02 
1.18 -1.042086218e+02 
1.20 -9.831208489e+01 
1.22 -9.326284704e+01 
1.24 -8.896840654e+01 
1.26 -8.520962124e+01 
1.28 -8.181059485e+01 
1.30 -7.861178680e+01 
1.32 -7.548773366e+01 
1.34 -7.234984394e+01 
1.36 -6.921173787e+01 
1.38 -6.614805822e+01 
1.40 -6.314680239e+01 
1.42 -6.008371177e+01 
1.44 -5.686319621e+01 
1.46 -5.344109837e+01 
1.48 -4.982254071e+01 
1.50 -4.604810057e+01 
1.52 -4.217511567e+01 
1.54 -3.824175780e+01 
1.56 -3.423210465e+01 
1.58 -3.009015166e+01 
1.60 -2.578631864e+01 
1.62 -2.136477159e+01 
1.64 -1.692868369e+01 
1.66 -1.257155580e+01 
1.68 -8.402606175e+00 
1.70 -5.124487371e+00 
1.72 -2.801790890e+00 
1.74 -1.230583303e+00 
1.76 -2.395743906e-01 
1.78  3.235074334e-01 
1.80  5.866057235e-01 
1.82  6.535830799e-01 
1.84  6.093131199e-01 
1.86  5.171803537e-01 
1.88  3.896765931e-01 
1.90  2.001726479e-01 
1.92 -5.670527312e-02 
1.94 -3.586071622e-01 
1.96 -6.765468520e-01 
1.98 -9.888174062e-01 
2.00 -1.283175322e+00 
2.02 -1.554452249e+00 
2.04 -1.801949230e+00 
2.06 -2.028894805e+00 
2.08 -2.238645777e+00 
2.10 -2.433797409e+00 
2.12 -2.616517978e+00 
2.14 -2.787844896e+00 
2.16 -2.947382603e+00 
2.18 -3.093326936e+00 
2.20 -3.222236293e+00 
2.22 -3.331574925e+00 
2.24 -3.421630562e+00 
2.26 -3.493643700e+00 
2.28 -3.549253406e+00 
2.30 -3.590475367e+00 
2.32 -3.619659118e+00 
2.34 -3.638851017e+00 
2.36 -3.649712791e+00 
2.38 -3.653518227e+00 
2.40 -3.650996882e+00 
2.42 -3.642676174e+00 
2.44 -3.629106062e+00 
2.46 -3.610838564e+00 
2.48 -3.588546977e+00 
2.50 -3.562980174e+00 
2.52 -3.534298545e+00 
2.54 -3.502216769e+00 
2.56 -3.466394798e+00 
2.58 -3.426593759e+00 
2.60 -3.382913444e+00 
2.62 -3.335593499e+00 
2.64 -3.284952399e+00 
2.66 -3.231361650e+00 
2.68 -3.175145979e+00 
2.70 -3.116633826e+00 
2.72 -3.056138904e+00 
2.74 -2.993896431e+00 
2.76 -2.930222441e+00 
2.78 -2.865555428e+00 
2.80 -2.800457017e+00 
2.82 -2.735484559e+00 
2.84 -2.671037678e+00 
2.86 -2.607238022e+00 
2.88 -2.543850339e+00 
2.90 -2.480382977e+00 
2.92 -2.416421941e+00 
2.94 -2.351268170e+00 
2.96 -2.284168469e+00 
2.98 -2.214678102e+00 
3.00 -2.142654181e+00 
3.02 -2.068201544e+00 
3.04 -1.991614121e+00 
3.06 -1.913450614e+00 
3.08 -1.834480291e+00 
3.10 -1.755460554e+00 
3.12 -1.677194052e+00 
3.14 -1.600506111e+00 
3.16 -1.526195063e+00 
3.18 -1.454976787e+00 
3.20 -1.387353912e+00 
3.22 -1.323556462e+00 
3.24 -1.263633370e+00 
3.26 -1.207498803e+00 
3.28 -1.154950968e+00 
3.30 -1.105697206e+00 
3.32 -1.059383289e+00 
3.34 -1.015625870e+00 
3.36 -9.740736278e-01 
3.38 -9.344342222e-01 
3.40 -8.964963321e-01 
3.42 -8.602022827e-01 
3.44 -8.255465972e-01 
3.46 -7.925381471e-01 
3.48 -7.611822092e-01 
3.50 -7.314661781e-01 
3.52 -7.033521978e-01 
3.54 -6.767765417e-01 
3.56 -6.516537437e-01 
3.58 -6.278835817e-01 
3.60 -6.053597151e-01 
3.62 -5.839758413e-01 
3.64 -5.636285169e-01 
3.66 -5.442364556e-01 
3.68 -5.257267049e-01 
3.70 -5.080259432e-01 
3.72 -4.910599739e-01 
3.74 -4.747537868e-01 
3.76 -4.590312247e-01 
3.78 -4.438147444e-01 
3.80 -4.290254397e-01 
3.82 -4.145826126e-01 
3.84 -4.004039504e-01 
3.86 -3.864090365e-01 
3.88 -3.725479485e-01 
3.90 -3.587870158e-01 
3.92 -3.450924812e-01 
3.94 -3.314407519e-01 
3.96 -3.178274219e-01 
3.98 -3.042516518e-01 
4.00 -2.907143575e-01 
4.02 -2.772184415e-01 
4.04 -2.637686282e-01 
4.06 -2.503718062e-01 
4.08 -2.370370728e-01 
4.10 -2.237755183e-01 
4.12 -2.106005833e-01 
4.14 -1.975219812e-01 
4.16 -1.845423520e-01 
4.18 -1.716657304e-01 
4.20 -1.589037531e-01 
4.22 -1.462988544e-01 
4.24 -1.339051161e-01 
4.26 -1.217788560e-01 
4.28 -1.099779251e-01 
4.30 -9.856193243e-02 
4.32 -8.759152065e-02 
4.34 -7.712800640e-02 
4.36 -6.723272308e-02 
4.38 -5.796613015e-02 
4.40 -4.938467737e-02 
4.42 -4.155708705e-02 
4.44 -3.456601098e-02 
4.46 -2.845020802e-02 
4.48 -2.321637729e-02 
4.50 -1.885491164e-02 
4.52 -1.534665275e-02 
4.54 -1.263741462e-02 
4.56 -1.065486180e-02 
4.58 -9.318423164e-03 
4.60 -8.532213541e-03 
4.62 -8.181073831e-03 
4.64 -8.132808737e-03 
4.66 -8.247033836e-03 
4.68 -8.388759698e-03 
4.70 -8.442547763e-03 
4.72 -8.324399406e-03 
4.74 -7.988138674e-03 
4.76 -7.423916201e-03 
4.78 -6.644385896e-03 
4.80 -5.682611013e-03 
4.82 -4.597616517e-03 
4.84 -3.457701521e-03 
4.86 -2.330089734e-03 
4.88 -1.273681354e-03 
4.90 -3.343078714e-04 
4.92  4.572660934e-04 
4.94  1.085912150e-03 
4.96  1.561645694e-03 
4.98  1.956905965e-03 
5.00  2.340221821e-03 
5.02  2.759138672e-03 
5.04  3.239399287e-03 
5.06  3.775297560e-03 
5.08  4.338472052e-03 
5.10  4.890285316e-03 
5.12  5.388395963e-03 
5.14  5.792951676e-03 
5.16  6.072361119e-03 
5.18  6.208051884e-03 
5.20  6.197538601e-03 
5.22  6.056462579e-03 
5.24  5.821150931e-03 
5.26  5.536915707e-03 
5.28  5.248016727e-03 
5.30  4.990237773e-03 
5.32  4.785391857e-03 
5.34  4.638914802e-03 
5.36  4.540544961e-03 
5.38  4.468212627e-03 
5.40  4.393920354e-03 
5.42  4.290289059e-03 
5.44  4.136041018e-03 
5.46  3.919619169e-03 
5.48  3.640586979e-03 
5.50  3.309026045e-03 
5.52  2.943561297e-03 
5.54  2.563659033e-03 
5.56  2.180108644e-03 
5.58  1.804122317e-03 
5.60  1.447175135e-03 
5.62  1.119734354e-03 
5.64  8.302954236e-04 
5.66  5.847235114e-04 
5.68  3.859741776e-04 
5.70  2.339499391e-04 
5.72  1.258999539e-04 
5.74  5.651937211e-05 
5.76  1.848735098e-05 
5.78  2.974981417e-06 
5.80  8.688029523e-09 
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