# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt
# implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1
# composition = AuCu2
# 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  5.007889018e+02 
0.90  4.531256444e+02 
0.92  4.100440771e+02 
0.94  3.710824539e+02 
0.96  3.358404882e+02 
0.98  3.039621726e+02 
1.00  2.751310293e+02 
1.02  2.490590915e+02 
1.04  2.254879764e+02 
1.06  2.041783952e+02 
1.08  1.849268365e+02 
1.10  1.675400638e+02 
1.12  1.518419103e+02 
1.14  1.376725289e+02 
1.16  1.248773581e+02 
1.18  1.133284408e+02 
1.20  1.029044953e+02 
1.22  9.349757963e+01 
1.24  8.500756860e+01 
1.26  7.734166436e+01 
1.28  7.041871128e+01 
1.30  6.416305739e+01 
1.32  5.850663643e+01 
1.34  5.339077319e+01 
1.36  4.875859012e+01 
1.38  4.455898331e+01 
1.40  4.075092761e+01 
1.42  3.729415874e+01 
1.44  3.414996007e+01 
1.46  3.128767366e+01 
1.48  2.867993781e+01 
1.50  2.630048909e+01 
1.52  2.412591621e+01 
1.54  2.213468550e+01 
1.56  2.030986175e+01 
1.58  1.863498436e+01 
1.60  1.709789661e+01 
1.62  1.568327132e+01 
1.64  1.438092321e+01 
1.66  1.318139095e+01 
1.68  1.207554060e+01 
1.70  1.105486946e+01 
1.72  1.006822273e+01 
1.74  9.164999142e+00 
1.76  8.301283634e+00 
1.78  7.475782602e+00 
1.80  6.688862086e+00 
1.82  5.939606285e+00 
1.84  5.227314936e+00 
1.86  4.551238223e+00 
1.88  3.910880454e+00 
1.90  3.305843572e+00 
1.92  2.735204815e+00 
1.94  2.196752150e+00 
1.96  1.691822877e+00 
1.98  1.219371022e+00 
2.00  7.783345232e-01 
2.02  3.676668012e-01 
2.04 -1.372730878e-02 
2.06 -3.669885868e-01 
2.08 -6.925456463e-01 
2.10 -9.910190458e-01 
2.12 -1.265212986e+00 
2.14 -1.516279239e+00 
2.16 -1.745776197e+00 
2.18 -1.954418829e+00 
2.20 -2.143287954e+00 
2.22 -2.313686341e+00 
2.24 -2.466603293e+00 
2.26 -2.603049516e+00 
2.28 -2.724049126e+00 
2.30 -2.829861185e+00 
2.32 -2.921990404e+00 
2.34 -3.001591568e+00 
2.36 -3.069518188e+00 
2.38 -3.126583292e+00 
2.40 -3.173558768e+00 
2.42 -3.211234543e+00 
2.44 -3.240257530e+00 
2.46 -3.261272619e+00 
2.48 -3.274937099e+00 
2.50 -3.282272883e+00 
2.52 -3.283298535e+00 
2.54 -3.278543986e+00 
2.56 -3.268494629e+00 
2.58 -3.253577322e+00 
2.60 -3.235337068e+00 
2.62 -3.213393039e+00 
2.64 -3.186983223e+00 
2.66 -3.155963711e+00 
2.68 -3.122103381e+00 
2.70 -3.085637095e+00 
2.72 -3.046835303e+00 
2.74 -3.005950245e+00 
2.76 -2.963216992e+00 
2.78 -2.918854392e+00 
2.80 -2.873066032e+00 
2.82 -2.826041108e+00 
2.84 -2.777955316e+00 
2.86 -2.728970590e+00 
2.88 -2.679244574e+00 
2.90 -2.628854642e+00 
2.92 -2.577939019e+00 
2.94 -2.526649811e+00 
2.96 -2.475110628e+00 
2.98 -2.423424138e+00 
3.00 -2.371684879e+00 
3.02 -2.319983448e+00 
3.04 -2.268968820e+00 
3.06 -2.218884415e+00 
3.08 -2.168984162e+00 
3.10 -2.119344121e+00 
3.12 -2.070023372e+00 
3.14 -2.021075564e+00 
3.16 -1.972549308e+00 
3.18 -1.924484321e+00 
3.20 -1.876938448e+00 
3.22 -1.829945560e+00 
3.24 -1.783463444e+00 
3.26 -1.737473066e+00 
3.28 -1.691864062e+00 
3.30 -1.646632464e+00 
3.32 -1.602013186e+00 
3.34 -1.558158204e+00 
3.36 -1.515048495e+00 
3.38 -1.472667108e+00 
3.40 -1.431045841e+00 
3.42 -1.390415011e+00 
3.44 -1.350530255e+00 
3.46 -1.311393263e+00 
3.48 -1.273008894e+00 
3.50 -1.235382028e+00 
3.52 -1.198505158e+00 
3.54 -1.162384395e+00 
3.56 -1.127029752e+00 
3.58 -1.092437841e+00 
3.60 -1.058583294e+00 
3.62 -1.025449081e+00 
3.64 -9.930246237e-01 
3.66 -9.612993483e-01 
3.68 -9.302638940e-01 
3.70 -8.999309107e-01 
3.72 -8.703133906e-01 
3.74 -8.414150098e-01 
3.76 -8.132192788e-01 
3.78 -7.856380395e-01 
3.80 -7.586774111e-01 
3.82 -7.323870568e-01 
3.84 -7.068052682e-01 
3.86 -6.819017188e-01 
3.88 -6.576652801e-01 
3.90 -6.341519006e-01 
3.92 -6.114593208e-01 
3.94 -5.896196880e-01 
3.96 -5.685035697e-01 
3.98 -5.480094174e-01 
4.00 -5.280641388e-01 
4.02 -5.086854673e-01 
4.04 -4.897644330e-01 
4.06 -4.711653922e-01 
4.08 -4.527912464e-01 
4.10 -4.345759543e-01 
4.12 -4.164782360e-01 
4.14 -3.984748817e-01 
4.16 -3.805033312e-01 
4.18 -3.625981683e-01 
4.20 -3.448369386e-01 
4.22 -3.272851286e-01 
4.24 -3.099976745e-01 
4.26 -2.929938166e-01 
4.28 -2.762441037e-01 
4.30 -2.612262373e-01 
4.32 -2.471967017e-01 
4.34 -2.335813790e-01 
4.36 -2.204232389e-01 
4.38 -2.077424372e-01 
4.40 -1.955512735e-01 
4.42 -1.838556087e-01 
4.44 -1.726560443e-01 
4.46 -1.619489219e-01 
4.48 -1.517271755e-01 
4.50 -1.419810418e-01 
4.52 -1.326986640e-01 
4.54 -1.238665961e-01 
4.56 -1.154702263e-01 
4.58 -1.074941292e-01 
4.60 -9.992235336e-02 
4.62 -9.273866134e-02 
4.64 -8.592672405e-02 
4.66 -7.947028128e-02 
4.68 -7.335326653e-02 
4.70 -6.755990685e-02 
4.72 -6.207480116e-02 
4.74 -5.688297955e-02 
4.76 -5.196994925e-02 
4.78 -4.732172326e-02 
4.80 -4.292484145e-02 
4.82 -3.876638206e-02 
4.84 -3.483396735e-02 
4.86 -3.111576236e-02 
4.88 -2.760046828e-02 
4.90 -2.427731342e-02 
4.92 -2.113554620e-02 
4.94 -1.810664367e-02 
4.96 -1.609077651e-02 
4.98 -1.501313871e-02 
5.00 -1.394255812e-02 
5.02 -1.293330685e-02 
5.04 -1.198239120e-02 
5.06 -1.108655424e-02 
5.08 -1.024271312e-02 
5.10 -9.447950476e-03 
5.12 -8.699506218e-03 
5.14 -7.994769535e-03 
5.16 -7.331271244e-03 
5.18 -6.706676515e-03 
5.20 -6.118777945e-03 
5.22 -5.565488974e-03 
5.24 -5.044837503e-03 
5.26 -4.554959869e-03 
5.28 -4.094095129e-03 
5.30 -3.660579653e-03 
5.32 -3.252841958e-03 
5.34 -2.869397753e-03 
5.36 -2.508845279e-03 
5.38 -2.169860897e-03 
5.40 -1.851194919e-03 
5.42 -1.551667606e-03 
5.44 -1.270165371e-03 
5.46 -1.005637205e-03 
5.48 -7.570912991e-04 
5.50 -5.235918473e-04 
5.52 -3.042559676e-04 
5.54 -9.692841480e-05 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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