# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al
# implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1
# composition = Au2Si
# 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 2022-05-24

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  nan             
0.94  nan             
0.96  4.806228763e+02 
0.98  4.450909122e+02 
1.00  4.126273254e+02 
1.02  3.830030110e+02 
1.04  3.560313438e+02 
1.06  3.315427576e+02 
1.08  3.093735934e+02 
1.10  2.893224135e+02 
1.12  2.705879895e+02 
1.14  2.535941619e+02 
1.16  2.378362605e+02 
1.18  2.232487347e+02 
1.20  2.097869796e+02 
1.22  1.974204456e+02 
1.24  1.860996214e+02 
1.26  1.757870477e+02 
1.28  1.664336670e+02 
1.30  1.579678255e+02 
1.32  1.503044021e+02 
1.34  1.433582153e+02 
1.36  1.370628187e+02 
1.38  1.313460569e+02 
1.40  1.261460486e+02 
1.42  1.214169162e+02 
1.44  1.171108849e+02 
1.46  1.131756940e+02 
1.48  1.095670930e+02 
1.50  1.062534412e+02 
1.52  1.032101111e+02 
1.54  1.004238333e+02 
1.56  9.781680620e+01 
1.58  9.535770781e+01 
1.60  9.315447731e+01 
1.62  9.108255072e+01 
1.64  8.912484269e+01 
1.66  8.726968240e+01 
1.68  8.551216591e+01 
1.70  8.385052935e+01 
1.72  8.228551260e+01 
1.74  8.082169818e+01 
1.76  7.946423415e+01 
1.78  7.821689666e+01 
1.80  7.707198867e+01 
1.82  7.594297762e+01 
1.84  7.494607823e+01 
1.86  7.401414402e+01 
1.88  6.665325610e+01 
1.90  5.847844738e+01 
1.92  5.191049693e+01 
1.94  4.584257033e+01 
1.96  3.837290132e+01 
1.98  3.200490596e+01 
2.00  2.649858502e+01 
2.02  2.176643874e+01 
2.04  1.776657601e+01 
2.06  1.445811501e+01 
2.08  1.176219813e+01 
2.10  9.528306003e+00 
2.12  7.640385651e+00 
2.14  6.012565000e+00 
2.16  4.596920871e+00 
2.18  3.349601329e+00 
2.20  2.241286250e+00 
2.22  1.285315146e+00 
2.24  4.811939917e-01 
2.26 -1.894762513e-01 
2.28 -7.500125602e-01 
2.30 -1.211890044e+00 
2.32 -1.590938051e+00 
2.34 -1.941073718e+00 
2.36 -2.288617357e+00 
2.38 -2.645499687e+00 
2.40 -3.017456555e+00 
2.42 -3.402663728e+00 
2.44 -3.670387696e+00 
2.46 -3.788284367e+00 
2.48 -3.888547047e+00 
2.50 -3.966920614e+00 
2.52 -4.024900947e+00 
2.54 -4.066535822e+00 
2.56 -4.094337114e+00 
2.58 -4.109523375e+00 
2.60 -4.113892411e+00 
2.62 -4.110061266e+00 
2.64 -4.100435196e+00 
2.66 -4.086626386e+00 
2.68 -4.069591404e+00 
2.70 -4.049732309e+00 
2.72 -4.027169036e+00 
2.74 -4.001656304e+00 
2.76 -3.972596881e+00 
2.78 -3.938996844e+00 
2.80 -3.900398306e+00 
2.82 -3.857319222e+00 
2.84 -3.810797745e+00 
2.86 -3.762242489e+00 
2.88 -3.711681598e+00 
2.90 -3.658703244e+00 
2.92 -3.603824651e+00 
2.94 -3.548111121e+00 
2.96 -3.492708194e+00 
2.98 -3.437143913e+00 
3.00 -3.379967144e+00 
3.02 -3.322131240e+00 
3.04 -3.266793023e+00 
3.06 -3.216178173e+00 
3.08 -3.170808881e+00 
3.10 -3.128199262e+00 
3.12 -3.084557030e+00 
3.14 -3.039574636e+00 
3.16 -2.993542644e+00 
3.18 -2.946651247e+00 
3.20 -2.897925959e+00 
3.22 -2.843356102e+00 
3.24 -2.775705842e+00 
3.26 -2.687540384e+00 
3.28 -2.573527717e+00 
3.30 -2.429846756e+00 
3.32 -2.261083669e+00 
3.34 -2.076441007e+00 
3.36 -1.886317625e+00 
3.38 -1.748304449e+00 
3.40 -1.658861552e+00 
3.42 -1.560251678e+00 
3.44 -1.451155328e+00 
3.46 -1.331360552e+00 
3.48 -1.205024424e+00 
3.50 -1.077364592e+00 
3.52 -9.540218294e-01 
3.54 -8.413533549e-01 
3.56 -7.447983699e-01 
3.58 -6.686247621e-01 
3.60 -6.162601746e-01 
3.62 -5.904038662e-01 
3.64 -5.915297941e-01 
3.66 -6.153914697e-01 
3.68 -6.568805275e-01 
3.70 -7.110837499e-01 
3.72 -7.725861346e-01 
3.74 -8.369056781e-01 
3.76 -8.990678993e-01 
3.78 -9.552994174e-01 
3.80 -1.001948484e+00 
3.82 -1.040969021e+00 
3.84 -1.073499462e+00 
3.86 -1.099856813e+00 
3.88 -1.120592075e+00 
3.90 -1.136168696e+00 
3.92 -1.147528854e+00 
3.94 -1.155250202e+00 
3.96 -1.159794554e+00 
3.98 -1.161685350e+00 
4.00 -1.161437921e+00 
4.02 -1.159549947e+00 
4.04 -1.156510854e+00 
4.06 -1.152806775e+00 
4.08 -1.148924252e+00 
4.10 -1.145359886e+00 
4.12 -1.142705272e+00 
4.14 -1.141536296e+00 
4.16 -1.141922339e+00 
4.18 -1.143705306e+00 
4.20 -1.146724382e+00 
4.22 -1.150819371e+00 
4.24 -1.155833635e+00 
4.26 -1.161606222e+00 
4.28 -1.167952510e+00 
4.30 -1.174676434e+00 
4.32 -1.181613208e+00 
4.34 -1.188664866e+00 
4.36 -1.195724669e+00 
4.38 -1.202553624e+00 
4.40 -1.208870213e+00 
4.42 -1.214413283e+00 
4.44 -1.218986649e+00 
4.46 -1.222556885e+00 
4.48 -1.225131682e+00 
4.50 -1.226713835e+00 
4.52 -1.227303997e+00 
4.54 -1.226899789e+00 
4.56 -1.225498611e+00 
4.58 -1.223096650e+00 
4.60 -1.219688957e+00 
4.62 -1.215191855e+00 
4.64 -1.209244076e+00 
4.66 -1.201415799e+00 
4.68 -1.191265618e+00 
4.70 -1.178324598e+00 
4.72 -1.162108900e+00 
4.74 -1.142373221e+00 
4.76 -1.118890646e+00 
4.78 -1.091325449e+00 
4.80 -1.059785223e+00 
4.82 -1.024346010e+00 
4.84 -9.843940618e-01 
4.86 -9.399841618e-01 
4.88 -8.914588893e-01 
4.90 -8.392080248e-01 
4.92 -7.847640177e-01 
4.94 -7.287161755e-01 
4.96 -6.727914091e-01 
4.98 -6.177843254e-01 
5.00 -5.653700447e-01 
5.02 -5.168924887e-01 
5.04 -4.732624184e-01 
5.06 -4.351299492e-01 
5.08 -4.025841326e-01 
5.10 -3.760218936e-01 
5.12 -3.557395634e-01 
5.14 -3.415031112e-01 
5.16 -3.323049989e-01 
5.18 -3.270179706e-01 
5.20 -3.245185106e-01 
5.22 -3.236857715e-01 
5.24 -3.233949557e-01 
5.26 -3.225169673e-01 
5.28 -3.199167292e-01 
5.30 -3.144440032e-01 
5.32 -3.049472083e-01 
5.34 -2.907900140e-01 
5.36 -2.719459445e-01 
5.38 -2.485661206e-01 
5.40 -2.230891860e-01 
5.42 -1.962679569e-01 
5.44 -1.685372683e-01 
5.46 -1.406478494e-01 
5.48 -1.128255060e-01 
5.50 -8.480844749e-02 
5.52 -5.973874056e-02 
5.54 -4.011082032e-02 
5.56 -2.680899939e-02 
5.58 -1.916548487e-02 
5.60 -1.536512104e-02 
5.62 -1.315866750e-02 
5.64 -1.085835280e-02 
5.66 -7.994675335e-03 
5.68 -5.077683731e-03 
5.70 -3.119492635e-03 
5.72 -3.168638305e-03 
5.74 -5.947803788e-03 
5.76 -1.164078253e-02 
5.78 -1.983708948e-02 
5.80 -2.961181576e-02 
5.82 -3.969183645e-02 
5.84 -4.869160550e-02 
5.86 -5.520554519e-02 
5.88 -5.173908367e-02 
5.90 -4.806680942e-02 
5.92 -5.045017432e-02 
5.94 -5.664710171e-02 
5.96 -6.222367633e-02 
5.98 -6.388338026e-02 
6.00 -6.047563043e-02