# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = Fe2Ni
# 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 2024-03-01

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 -6.944968489e+02 
0.92 -6.441333879e+02 
0.94 -5.999178065e+02 
0.96 -5.612154792e+02 
0.98 -5.256680398e+02 
1.00 -4.916312158e+02 
1.02 -4.591800030e+02 
1.04 -4.292506409e+02 
1.06 -4.020019629e+02 
1.08 -3.767987761e+02 
1.10 -3.532939550e+02 
1.12 -3.316681859e+02 
1.14 -3.120684411e+02 
1.16 -2.942809378e+02 
1.18 -2.776183622e+02 
1.20 -2.612568703e+02 
1.22 -2.449880680e+02 
1.24 -2.293207163e+02 
1.26 -2.148398705e+02 
1.28 -2.017636299e+02 
1.30 -1.898929044e+02 
1.32 -1.789668202e+02 
1.34 -1.687461571e+02 
1.36 -1.588914003e+02 
1.38 -1.490777647e+02 
1.40 -1.392073729e+02 
1.42 -1.294042434e+02 
1.44 -1.198304004e+02 
1.46 -1.105265219e+02 
1.48 -1.014374637e+02 
1.50 -9.254567721e+01 
1.52 -8.386065436e+01 
1.54 -7.541885619e+01 
1.56 -6.734462455e+01 
1.58 -5.985824151e+01 
1.60 -5.311548215e+01 
1.62 -4.706649316e+01 
1.64 -4.154194234e+01 
1.66 -3.640822532e+01 
1.68 -3.160031935e+01 
1.70 -2.705114450e+01 
1.72 -2.266249625e+01 
1.74 -1.833707637e+01 
1.76 -1.419622785e+01 
1.78 -1.046920795e+01 
1.80 -7.273664232e+00 
1.82 -4.884608200e+00 
1.84 -3.171986391e+00 
1.86 -1.990516844e+00 
1.88 -1.229048938e+00 
1.90 -7.956920495e-01 
1.92 -6.034416718e-01 
1.94 -5.712786971e-01 
1.96 -6.312284570e-01 
1.98 -7.352708678e-01 
2.00 -8.765610535e-01 
2.02 -1.080725376e+00 
2.04 -1.347226374e+00 
2.06 -1.645149899e+00 
2.08 -1.942460807e+00 
2.10 -2.212969093e+00 
2.12 -2.444781987e+00 
2.14 -2.643525792e+00 
2.16 -2.816097416e+00 
2.18 -2.966593537e+00 
2.20 -3.096485380e+00 
2.22 -3.206376820e+00 
2.24 -3.297969443e+00 
2.26 -3.372764408e+00 
2.28 -3.432185518e+00 
2.30 -3.477637069e+00 
2.32 -3.510341725e+00 
2.34 -3.531401501e+00 
2.36 -3.541847120e+00 
2.38 -3.542673395e+00 
2.40 -3.534967244e+00 
2.42 -3.520065997e+00 
2.44 -3.499376715e+00 
2.46 -3.474309222e+00 
2.48 -3.446266806e+00 
2.50 -3.416670288e+00 
2.52 -3.386608093e+00 
2.54 -3.356821769e+00 
2.56 -3.328112863e+00 
2.58 -3.301310194e+00 
2.60 -3.277221616e+00 
2.62 -3.256569425e+00 
2.64 -3.239846450e+00 
2.66 -3.227208219e+00 
2.68 -3.218299806e+00 
2.70 -3.212322613e+00 
2.72 -3.207572575e+00 
2.74 -3.199596882e+00 
2.76 -3.184665249e+00 
2.78 -3.160681576e+00 
2.80 -3.126167960e+00 
2.82 -3.079361051e+00 
2.84 -3.018000039e+00 
2.86 -2.939531550e+00 
2.88 -2.841177711e+00 
2.90 -2.720020708e+00 
2.92 -2.573096263e+00 
2.94 -2.397431336e+00 
2.96 -2.189980892e+00 
2.98 -1.947576715e+00 
3.00 -1.666951678e+00 
3.02 -1.346024934e+00 
3.04 -9.898745759e-01 
3.06 -8.614755625e-01 
3.08 -8.194499552e-01 
3.10 -7.779063363e-01 
3.12 -7.370939688e-01 
3.14 -6.972482976e-01 
3.16 -6.585760320e-01 
3.18 -6.212387828e-01 
3.20 -5.853353587e-01 
3.22 -5.508495611e-01 
3.24 -5.176526047e-01 
3.26 -4.855233875e-01 
3.28 -4.541677048e-01 
3.30 -4.232594123e-01 
3.32 -3.925020309e-01 
3.34 -3.616968363e-01 
3.36 -3.308015470e-01 
3.38 -2.999470487e-01 
3.40 -2.693894649e-01 
3.42 -2.394214691e-01 
3.44 -2.103451583e-01 
3.46 -1.824252519e-01 
3.48 -1.558559651e-01 
3.50 -1.307503446e-01 
3.52 -1.071463050e-01 
3.54 -8.502257119e-02 
3.56 -6.431930895e-02 
3.58 -4.498085551e-02 
3.60 -2.698504255e-02 
3.62 -1.031207567e-02 
3.64  5.062376305e-03 
3.66  1.918171308e-02 
3.68  3.209532427e-02 
3.70  4.385241763e-02 
3.72  5.450175161e-02 
3.74  6.409136573e-02 
3.76  7.266835848e-02 
3.78  8.027864252e-02 
3.80  8.696681205e-02 
3.82  9.277595644e-02 
3.84  9.774748295e-02 
3.86  1.019222845e-01 
3.88  1.053497151e-01 
3.90  1.080822398e-01 
3.92  1.101700420e-01 
3.94  1.116656556e-01 
3.96  1.126277410e-01 
3.98  1.131138442e-01 
4.00  1.131796366e-01 
4.02  1.128791039e-01 
4.04  1.122646521e-01 
4.06  1.113872556e-01 
4.08  1.102966265e-01 
4.10  1.090412977e-01 
4.12  1.076685042e-01 
4.14  1.062057702e-01 
4.16  1.046495657e-01 
4.18  1.029929448e-01 
4.20  1.012273738e-01 
4.22  9.933841145e-02 
4.24  9.730940316e-02 
4.26  9.512348177e-02 
4.28  9.276365750e-02 
4.30  9.021303469e-02 
4.32  8.745497190e-02 
4.34  8.447335086e-02 
4.36  8.125298100e-02 
4.38  7.777996213e-02 
4.40  7.404237687e-02 
4.42  7.003100836e-02 
4.44  6.574028421e-02 
4.46  6.116955264e-02 
4.48  5.632444493e-02 
4.50  5.121847933e-02 
4.52  4.587558591e-02 
4.54  4.033699086e-02 
4.56  3.465737182e-02 
4.58  2.890363333e-02 
4.60  2.315494673e-02 
4.62  1.750069413e-02 
4.64  1.203638358e-02 
4.66  6.857779186e-03 
4.68  2.053512631e-03 
4.70 -2.302921027e-03 
4.72 -6.160332501e-03 
4.74 -9.494888735e-03 
4.76 -1.231216808e-02 
4.78 -1.465012972e-02 
4.80 -1.656680959e-02 
4.82 -1.811674288e-02 
4.84 -1.935859006e-02 
4.86 -2.035063662e-02 
4.88 -2.114500794e-02 
4.90 -2.178365853e-02 
4.92 -2.229645425e-02 
4.94 -2.270083038e-02 
4.96 -2.300272723e-02 
4.98 -2.319833030e-02 
5.00 -2.327631896e-02 
5.02 -2.322034988e-02 
5.04 -2.301278878e-02 
5.06 -2.264793284e-02 
5.08 -2.212846740e-02 
5.10 -2.145868401e-02 
5.12 -2.064465395e-02 
5.14 -1.969450894e-02 
5.16 -1.861872651e-02 
5.18 -1.743042765e-02 
5.20 -1.614553134e-02 
5.22 -1.478306805e-02 
5.24 -1.336611188e-02 
5.26 -1.192020501e-02 
5.28 -1.047222728e-02 
5.30 -9.049548023e-03 
5.32 -7.678873204e-03 
5.34 -6.384997692e-03 
5.36 -5.189458647e-03 
5.38 -4.109434699e-03 
5.40 -3.156796745e-03 
5.42 -2.337700442e-03 
5.44 -1.652614092e-03 
5.46 -1.096815966e-03 
5.48 -6.612493807e-04 
5.50 -3.335776425e-04 
5.52 -9.923585785e-05 
5.54  5.701164891e-05 
5.56  1.492868758e-04 
5.58  1.933230301e-04 
5.60  2.021995728e-04 
5.62  1.870414026e-04 
5.64  1.575792524e-04 
5.66  1.219546316e-04 
5.68  8.641604977e-05 
5.70  5.526642579e-05 
5.72  3.095974360e-05 
5.74  1.430922415e-05 
5.76  4.776436293e-06 
5.78  7.810448861e-07 
5.80 -4.306896549e-10 
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