# 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 = 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 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 -4.628035156e+02 
0.92 -4.346281367e+02 
0.94 -4.095317792e+02 
0.96 -3.874645651e+02 
0.98 -3.665852506e+02 
1.00 -3.457101240e+02 
1.02 -3.252732615e+02 
1.04 -3.063790272e+02 
1.06 -2.893128030e+02 
1.08 -2.735136142e+02 
1.10 -2.586849776e+02 
1.12 -2.450580992e+02 
1.14 -2.328304878e+02 
1.16 -2.218388798e+02 
1.18 -2.114464864e+02 
1.20 -2.008799961e+02 
1.22 -1.899815321e+02 
1.24 -1.793075712e+02 
1.26 -1.694691496e+02 
1.28 -1.607003313e+02 
1.30 -1.528179083e+02 
1.32 -1.455769016e+02 
1.34 -1.387539810e+02 
1.36 -1.320255290e+02 
1.38 -1.250826452e+02 
1.40 -1.178433441e+02 
1.42 -1.104473504e+02 
1.44 -1.030699109e+02 
1.46 -9.576319266e+01 
1.48 -8.848351461e+01 
1.50 -8.122477297e+01 
1.52 -7.400792183e+01 
1.54 -6.688087488e+01 
1.56 -5.997942943e+01 
1.58 -5.353532447e+01 
1.60 -4.771578134e+01 
1.62 -4.248241489e+01 
1.64 -3.767707076e+01 
1.66 -3.317497417e+01 
1.68 -2.891873312e+01 
1.70 -2.484887630e+01 
1.72 -2.087481567e+01 
1.74 -1.690680672e+01 
1.76 -1.310093249e+01 
1.78 -9.647959526e+00 
1.80 -6.672224133e+00 
1.82 -4.456729086e+00 
1.84 -2.878390886e+00 
1.86 -1.798085345e+00 
1.88 -1.110281954e+00 
1.90 -7.282107848e-01 
1.92 -5.694850845e-01 
1.94 -5.572213627e-01 
1.96 -6.271781140e-01 
1.98 -7.348006189e-01 
2.00 -8.765610523e-01 
2.02 -1.080725383e+00 
2.04 -1.347226358e+00 
2.06 -1.645149903e+00 
2.08 -1.942460809e+00 
2.10 -2.212969097e+00 
2.12 -2.444781990e+00 
2.14 -2.643525788e+00 
2.16 -2.816097430e+00 
2.18 -2.966593517e+00 
2.20 -3.096485410e+00 
2.22 -3.206376801e+00 
2.24 -3.297969442e+00 
2.26 -3.372764425e+00 
2.28 -3.432185507e+00 
2.30 -3.477637054e+00 
2.32 -3.510341751e+00 
2.34 -3.531401509e+00 
2.36 -3.541847134e+00 
2.38 -3.542673401e+00 
2.40 -3.534967236e+00 
2.42 -3.520066004e+00 
2.44 -3.499376713e+00 
2.46 -3.474309213e+00 
2.48 -3.446266814e+00 
2.50 -3.416670303e+00 
2.52 -3.386608094e+00 
2.54 -3.356821765e+00 
2.56 -3.328112861e+00 
2.58 -3.301310195e+00 
2.60 -3.277221612e+00 
2.62 -3.256569418e+00 
2.64 -3.239846454e+00 
2.66 -3.227208228e+00 
2.68 -3.218299813e+00 
2.70 -3.212322618e+00 
2.72 -3.207572582e+00 
2.74 -3.199596863e+00 
2.76 -3.184665260e+00 
2.78 -3.160681579e+00 
2.80 -3.126167962e+00 
2.82 -3.079361051e+00 
2.84 -3.018000066e+00 
2.86 -2.939531545e+00 
2.88 -2.841177678e+00 
2.90 -2.720020794e+00 
2.92 -2.573096189e+00 
2.94 -2.397431196e+00 
2.96 -2.189980895e+00 
2.98 -1.947576586e+00 
3.00 -1.666951603e+00 
3.02 -1.346024764e+00 
3.04 -9.898878296e-01 
3.06 -6.063200973e-01 
3.08 -2.033822860e-01 
3.10  2.105023321e-01 
3.12  6.264704732e-01 
3.14  1.035125028e+00 
3.16  1.426489420e+00 
3.18  1.790110603e+00 
3.20  2.115630460e+00 
3.22  2.392787486e+00 
3.24  2.612478972e+00 
3.26  2.768522773e+00 
3.28  2.859322044e+00 
3.30  2.889062553e+00 
3.32  2.867718094e+00 
3.34  2.809440222e+00 
3.36  2.729612018e+00 
3.38  2.641704332e+00 
3.40  2.555256784e+00 
3.42  2.475451129e+00 
3.44  2.403927179e+00 
3.46  2.340209502e+00 
3.48  2.283058012e+00 
3.50  2.231391978e+00 
3.52  2.184740930e+00 
3.54  2.143325061e+00 
3.56  2.107877443e+00 
3.58  2.079036341e+00 
3.60  2.056857154e+00 
3.62  2.041191609e+00 
3.64  2.031757008e+00 
3.66  2.028174780e+00 
3.68  2.029977192e+00 
3.70  2.036620965e+00 
3.72  2.047505420e+00 
3.74  2.061988443e+00 
3.76  2.079401614e+00 
3.78  2.099061115e+00 
3.80  2.120279896e+00 
3.82  2.142375063e+00 
3.84  2.164674726e+00 
3.86  2.186543434e+00 
3.88  2.207554116e+00 
3.90  2.227387044e+00 
3.92  2.245731727e+00 
3.94  2.262376793e+00 
3.96  2.277277175e+00 
3.98  2.290403146e+00 
4.00  2.301719110e+00 
4.02  2.311186170e+00 
4.04  2.318758166e+00 
4.06  2.324383043e+00 
4.08  2.328000539e+00 
4.10  2.329540977e+00 
4.12  2.328923915e+00 
4.14  2.326037941e+00 
4.16  2.320727181e+00 
4.18  2.312817016e+00 
4.20  2.302113870e+00 
4.22  2.288398050e+00 
4.24  2.271425538e+00 
4.26  2.250927260e+00 
4.28  2.226605666e+00 
4.30  2.198135270e+00 
4.32  2.165158540e+00 
4.34  2.127287491e+00 
4.36  2.084103359e+00 
4.38  2.035161194e+00 
4.40  1.979997290e+00 
4.42  1.918139891e+00 
4.44  1.849128855e+00 
4.46  1.772542068e+00 
4.48  1.688032317e+00 
4.50  1.595376043e+00 
4.52  1.494553131e+00 
4.54  1.385976803e+00 
4.56  1.270500168e+00 
4.58  1.149405329e+00 
4.60  1.024450149e+00 
4.62  8.978696009e-01 
4.64  7.723079845e-01 
4.66  6.506758475e-01 
4.68  5.359288351e-01 
4.70  4.307888776e-01 
4.72  3.374622010e-01 
4.74  2.573994708e-01 
4.76  1.911612670e-01 
4.78  1.384044163e-01 
4.80  9.801171367e-02 
4.82  6.831913813e-02 
4.84  4.735398064e-02 
4.86  3.306671720e-02 
4.88  2.356764505e-02 
4.90  1.723669963e-02 
4.92  1.278928008e-02 
4.94  9.303678474e-03 
4.96  6.201367560e-03 
4.98  3.200501746e-03 
5.00  2.530572974e-04 
5.02 -2.523175425e-03 
5.04 -4.930803046e-03 
5.06 -6.898330790e-03 
5.08 -8.446718446e-03 
5.10 -9.599240632e-03 
5.12 -1.038195176e-02 
5.14 -1.082317916e-02 
5.16 -1.095376821e-02 
5.18 -1.080782080e-02 
5.20 -1.042281446e-02 
5.22 -9.838473131e-03 
5.24 -9.088664386e-03 
5.26 -8.206765792e-03 
5.28 -7.228963155e-03 
5.30 -6.193151950e-03 
5.32 -5.136596141e-03 
5.34 -4.096067845e-03 
5.36 -3.105057395e-03 
5.38 -2.192689363e-03 
5.40 -1.381951702e-03 
5.42 -6.893036589e-04 
5.44 -1.236391951e-04 
5.46  3.136128732e-04 
5.48  6.272171351e-04 
5.50  8.275502953e-04 
5.52  9.296301820e-04 
5.54  9.501272230e-04 
5.56  9.068337603e-04 
5.58  8.187876670e-04 
5.60  7.029566921e-04 
5.62  5.739769167e-04 
5.64  4.442202313e-04 
5.66  3.236916755e-04 
5.68  2.194045256e-04 
5.70  1.359555977e-04 
5.72  7.430528250e-05 
5.74  3.371681917e-05 
5.76  1.123884618e-05 
5.78  1.862737812e-06 
5.80 -1.333155759e-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