# 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 = Fe2Ti
# 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 -4.182591703e+02 
0.92 -3.903963259e+02 
0.94 -3.665787776e+02 
0.96 -3.462620524e+02 
0.98 -3.275307000e+02 
1.00 -3.089482043e+02 
1.02 -2.905805719e+02 
1.04 -2.734973089e+02 
1.06 -2.578402764e+02 
1.08 -2.430386696e+02 
1.10 -2.289231544e+02 
1.12 -2.158461104e+02 
1.14 -2.042272924e+02 
1.16 -1.940952068e+02 
1.18 -1.849096382e+02 
1.20 -1.757974473e+02 
1.22 -1.662227192e+02 
1.24 -1.563417296e+02 
1.26 -1.467325060e+02 
1.28 -1.378737741e+02 
1.30 -1.298133114e+02 
1.32 -1.223349424e+02 
1.34 -1.152055983e+02 
1.36 -1.082562565e+02 
1.38 -1.014295358e+02 
1.40 -9.480183710e+01 
1.42 -8.851999301e+01 
1.44 -8.269586603e+01 
1.46 -7.730748798e+01 
1.48 -7.228369860e+01 
1.50 -6.761125949e+01 
1.52 -6.330193682e+01 
1.54 -5.936762138e+01 
1.56 -5.582100672e+01 
1.58 -5.269159528e+01 
1.60 -4.994124916e+01 
1.62 -4.743201022e+01 
1.64 -4.501285528e+01 
1.66 -4.260631462e+01 
1.68 -4.020287509e+01 
1.70 -3.781124268e+01 
1.72 -3.539796767e+01 
1.74 -3.291513509e+01 
1.76 -3.034651450e+01 
1.78 -2.769131251e+01 
1.80 -2.495040854e+01 
1.82 -2.211997523e+01 
1.84 -1.920341288e+01 
1.86 -1.622046953e+01 
1.88 -1.321697633e+01 
1.90 -1.025902867e+01 
1.92 -7.406974062e+00 
1.94 -5.122238785e+00 
1.96 -3.525915572e+00 
1.98 -2.433297686e+00 
2.00 -1.716283978e+00 
2.02 -1.300283906e+00 
2.04 -1.134448410e+00 
2.06 -1.164782922e+00 
2.08 -1.323996385e+00 
2.10 -1.538099133e+00 
2.12 -1.757135779e+00 
2.14 -1.981873228e+00 
2.16 -2.203936605e+00 
2.18 -2.409266375e+00 
2.20 -2.593949924e+00 
2.22 -2.755910414e+00 
2.24 -2.893509125e+00 
2.26 -3.011481596e+00 
2.28 -3.114055405e+00 
2.30 -3.202936234e+00 
2.32 -3.278345667e+00 
2.34 -3.340693662e+00 
2.36 -3.391298880e+00 
2.38 -3.431433957e+00 
2.40 -3.462232318e+00 
2.42 -3.484755938e+00 
2.44 -3.499750042e+00 
2.46 -3.507786435e+00 
2.48 -3.509730332e+00 
2.50 -3.506701697e+00 
2.52 -3.499764164e+00 
2.54 -3.489739820e+00 
2.56 -3.477560863e+00 
2.58 -3.464175880e+00 
2.60 -3.450471007e+00 
2.62 -3.437331797e+00 
2.64 -3.425643685e+00 
2.66 -3.416208472e+00 
2.68 -3.409536778e+00 
2.70 -3.405710340e+00 
2.72 -3.404346934e+00 
2.74 -3.404708617e+00 
2.76 -3.405702749e+00 
2.78 -3.406175658e+00 
2.80 -3.404811123e+00 
2.82 -3.400321766e+00 
2.84 -3.391748564e+00 
2.86 -3.378612154e+00 
2.88 -3.361004276e+00 
2.90 -3.339209779e+00 
2.92 -3.313440887e+00 
2.94 -3.284246441e+00 
2.96 -3.252126428e+00 
2.98 -3.217140087e+00 
3.00 -3.178821050e+00 
3.02 -3.136184054e+00 
3.04 -3.087765322e+00 
3.06 -3.031815227e+00 
3.08 -2.966257232e+00 
3.10 -2.888478508e+00 
3.12 -2.795312849e+00 
3.14 -2.683000599e+00 
3.16 -2.547225558e+00 
3.18 -2.383246999e+00 
3.20 -2.186189238e+00 
3.22 -1.951685209e+00 
3.24 -1.676855263e+00 
3.26 -1.361551851e+00 
3.28 -1.014498964e+00 
3.30 -7.673585047e-01 
3.32 -7.235557915e-01 
3.34 -6.791581086e-01 
3.36 -6.344138852e-01 
3.38 -5.896965884e-01 
3.40 -5.454100492e-01 
3.42 -5.018572483e-01 
3.44 -4.592827348e-01 
3.46 -4.178676085e-01 
3.48 -3.777261406e-01 
3.50 -3.389158504e-01 
3.52 -3.014550897e-01 
3.54 -2.653418239e-01 
3.56 -2.305664372e-01 
3.58 -1.971611248e-01 
3.60 -1.652163845e-01 
3.62 -1.348251034e-01 
3.64 -1.060740597e-01 
3.66 -7.902856921e-02 
3.68 -5.374537968e-02 
3.70 -3.027846570e-02 
3.72 -8.663036857e-03 
3.74  1.111324803e-02 
3.76  2.907357286e-02 
3.78  4.524412390e-02 
3.80  5.965430185e-02 
3.82  7.233666295e-02 
3.84  8.332681737e-02 
3.86  9.266511523e-02 
3.88  1.004073178e-01 
3.90  1.066193718e-01 
3.92  1.113708044e-01 
3.94  1.147390407e-01 
3.96  1.168127526e-01 
3.98  1.176842138e-01 
4.00  1.174480039e-01 
4.02  1.161937396e-01 
4.04  1.139932886e-01 
4.06  1.109167255e-01 
4.08  1.070354952e-01 
4.10  1.024219514e-01 
4.12  9.714894282e-02 
4.14  9.127098259e-02 
4.16  8.481261083e-02 
4.18  7.779568271e-02 
4.20  7.024408255e-02 
4.22  6.219336138e-02 
4.24  5.368252452e-02 
4.26  4.475007729e-02 
4.28  3.543239532e-02 
4.30  2.576165466e-02 
4.32  1.576875965e-02 
4.34  5.484041935e-03 
4.36 -5.062267288e-03 
4.38 -1.584003315e-02 
4.40 -2.681832413e-02 
4.42 -3.796487482e-02 
4.44 -4.924521851e-02 
4.46 -6.062120825e-02 
4.48 -7.204977900e-02 
4.50 -8.348128184e-02 
4.52 -9.485680089e-02 
4.54 -1.061038272e-01 
4.56 -1.171470216e-01 
4.58 -1.279014640e-01 
4.60 -1.382700140e-01 
4.62 -1.481452367e-01 
4.64 -1.574135828e-01 
4.66 -1.659611437e-01 
4.68 -1.736809668e-01 
4.70 -1.804841689e-01 
4.72 -1.863136976e-01 
4.74 -1.911415149e-01 
4.76 -1.949692349e-01 
4.78 -1.978425962e-01 
4.80 -1.998391686e-01 
4.82 -2.010330098e-01 
4.84 -2.015017522e-01 
4.86 -2.013218817e-01 
4.88 -2.005630226e-01 
4.90 -1.992836928e-01 
4.92 -1.975293794e-01 
4.94 -1.953320528e-01 
4.96 -1.927110166e-01 
4.98 -1.896745243e-01 
5.00 -1.862219638e-01 
5.02 -1.823451679e-01 
5.04 -1.780305287e-01 
5.06 -1.732745047e-01 
5.08 -1.680805809e-01 
5.10 -1.624527173e-01 
5.12 -1.563958767e-01 
5.14 -1.499168201e-01 
5.16 -1.430251785e-01 
5.18 -1.357348884e-01 
5.20 -1.280656707e-01 
5.22 -1.200432567e-01 
5.24 -1.117051051e-01 
5.26 -1.031030502e-01 
5.28 -9.430291900e-02 
5.30 -8.538571079e-02 
5.32 -7.644746139e-02 
5.34 -6.759783415e-02 
5.36 -5.895663838e-02 
5.38 -5.064887593e-02 
5.40 -4.279755303e-02 
5.42 -3.551584778e-02 
5.44 -2.889903989e-02 
5.46 -2.301761628e-02 
5.48 -1.791269200e-02 
5.50 -1.359452037e-02 
5.52 -1.004406461e-02 
5.54 -7.211962763e-03 
5.56 -5.017503818e-03 
5.58 -3.371074907e-03 
5.60 -2.177350877e-03 
5.62 -1.343629924e-03 
5.64 -7.855358700e-04 
5.66 -4.299964724e-04 
5.68 -2.166944896e-04 
5.70 -9.798281284e-05 
5.72 -3.807359044e-05 
5.74 -1.169441943e-05 
5.76 -2.291661569e-06 
5.78 -6.778281634e-08 
5.80 -7.321724138e-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