# 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 = NiTi2
# 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  3.609097555e+02 
0.92  3.343524857e+02 
0.94  3.104523116e+02 
0.96  2.888082500e+02 
0.98  2.686952405e+02 
1.00  2.499173213e+02 
1.02  2.326108058e+02 
1.04  2.166519270e+02 
1.06  2.017209887e+02 
1.08  1.876293462e+02 
1.10  1.743928857e+02 
1.12  1.621931026e+02 
1.14  1.512834234e+02 
1.16  1.416297104e+02 
1.18  1.328481130e+02 
1.20  1.246234923e+02 
1.22  1.167391920e+02 
1.24  1.091200215e+02 
1.26  1.018857826e+02 
1.28  9.526799236e+01 
1.30  8.922651352e+01 
1.32  8.345304172e+01 
1.34  7.772964454e+01 
1.36  7.201816409e+01 
1.38  6.633313696e+01 
1.40  6.069594738e+01 
1.42  5.512218456e+01 
1.44  4.958228657e+01 
1.46  4.406926629e+01 
1.48  3.866850672e+01 
1.50  3.350847732e+01 
1.52  2.869068100e+01 
1.54  2.425361100e+01 
1.56  2.022108000e+01 
1.58  1.662622333e+01 
1.60  1.346234595e+01 
1.62  1.069549119e+01 
1.64  8.342769256e+00 
1.66  6.477070774e+00 
1.68  5.152306377e+00 
1.70  4.333560412e+00 
1.72  3.934002828e+00 
1.74  3.861766681e+00 
1.76  4.012594201e+00 
1.78  4.282050910e+00 
1.80  4.579718139e+00 
1.82  4.830265475e+00 
1.84  4.981424512e+00 
1.86  5.017616774e+00 
1.88  4.960616454e+00 
1.90  4.848766119e+00 
1.92  4.712871823e+00 
1.94  4.563622906e+00 
1.96  4.447978816e+00 
1.98  4.149408530e+00 
2.00  3.638156998e+00 
2.02  2.969482892e+00 
2.04  2.209244265e+00 
2.06  1.429430322e+00 
2.08  6.935057433e-01 
2.10  4.903179859e-02 
2.12 -4.756215084e-01 
2.14 -8.836176507e-01 
2.16 -1.230703165e+00 
2.18 -1.540542149e+00 
2.20 -1.812471015e+00 
2.22 -2.050164916e+00 
2.24 -2.261534761e+00 
2.26 -2.457946366e+00 
2.28 -2.651064871e+00 
2.30 -2.842626513e+00 
2.32 -3.028482116e+00 
2.34 -3.204707424e+00 
2.36 -3.367979801e+00 
2.38 -3.516057121e+00 
2.40 -3.647374938e+00 
2.42 -3.761178479e+00 
2.44 -3.857929504e+00 
2.46 -3.938742182e+00 
2.48 -4.005436069e+00 
2.50 -4.060016530e+00 
2.52 -4.103771307e+00 
2.54 -4.137584661e+00 
2.56 -4.162329997e+00 
2.58 -4.178860780e+00 
2.60 -4.188076610e+00 
2.62 -4.190753135e+00 
2.64 -4.187286661e+00 
2.66 -4.177984755e+00 
2.68 -4.163139440e+00 
2.70 -4.143043321e+00 
2.72 -4.118021593e+00 
2.74 -4.088383770e+00 
2.76 -4.054410888e+00 
2.78 -4.016540094e+00 
2.80 -3.975284347e+00 
2.82 -3.931097470e+00 
2.84 -3.884286472e+00 
2.86 -3.834917379e+00 
2.88 -3.782733483e+00 
2.90 -3.727493439e+00 
2.92 -3.669211669e+00 
2.94 -3.607976534e+00 
2.96 -3.543927304e+00 
2.98 -3.477331113e+00 
3.00 -3.408590465e+00 
3.02 -3.338210569e+00 
3.04 -3.266750341e+00 
3.06 -3.194690831e+00 
3.08 -3.122290906e+00 
3.10 -3.049665993e+00 
3.12 -2.976920997e+00 
3.14 -2.904165983e+00 
3.16 -2.831532521e+00 
3.18 -2.759198601e+00 
3.20 -2.687376475e+00 
3.22 -2.615962155e+00 
3.24 -2.544526458e+00 
3.26 -2.472738729e+00 
3.28 -2.400479483e+00 
3.30 -2.327860998e+00 
3.32 -2.255200939e+00 
3.34 -2.182916262e+00 
3.36 -2.111380690e+00 
3.38 -2.040796385e+00 
3.40 -1.971147899e+00 
3.42 -1.902254905e+00 
3.44 -1.833799222e+00 
3.46 -1.765413822e+00 
3.48 -1.696793996e+00 
3.50 -1.627849199e+00 
3.52 -1.558651143e+00 
3.54 -1.489381842e+00 
3.56 -1.420316727e+00 
3.58 -1.351772359e+00 
3.60 -1.284039712e+00 
3.62 -1.217516855e+00 
3.64 -1.152660340e+00 
3.66 -1.089911338e+00 
3.68 -1.029692685e+00 
3.70 -9.724015543e-01 
3.72 -9.182931783e-01 
3.74 -8.674476546e-01 
3.76 -8.198957452e-01 
3.78 -7.756320667e-01 
3.80 -7.346173367e-01 
3.82 -6.967806161e-01 
3.84 -6.620218259e-01 
3.86 -6.302175288e-01 
3.88 -6.012530116e-01 
3.90 -5.750088447e-01 
3.92 -5.513460229e-01 
3.94 -5.301070967e-01 
3.96 -5.111175185e-01 
3.98 -4.941873587e-01 
4.00 -4.791123204e-01 
4.02 -4.656826826e-01 
4.04 -4.536967423e-01 
4.06 -4.429470463e-01 
4.08 -4.332535748e-01 
4.10 -4.244739139e-01 
4.12 -4.164621720e-01 
4.14 -4.090669314e-01 
4.16 -4.021328272e-01 
4.18 -3.955011453e-01 
4.20 -3.890147652e-01 
4.22 -3.825359327e-01 
4.24 -3.759332396e-01 
4.26 -3.690756142e-01 
4.28 -3.618296122e-01 
4.30 -3.540500983e-01 
4.32 -3.455934801e-01 
4.34 -3.363251349e-01 
4.36 -3.261139296e-01 
4.38 -3.147234582e-01 
4.40 -3.021230122e-01 
4.42 -2.884617819e-01 
4.44 -2.739779770e-01 
4.46 -2.589371746e-01 
4.48 -2.435932480e-01 
4.50 -2.281692340e-01 
4.52 -2.128396278e-01 
4.54 -1.976966626e-01 
4.56 -1.827985580e-01 
4.58 -1.681975050e-01 
4.60 -1.539547382e-01 
4.62 -1.401514354e-01 
4.64 -1.268943466e-01 
4.66 -1.143143689e-01 
4.68 -1.025581438e-01 
4.70 -9.177732227e-02 
4.72 -8.211910581e-02 
4.74 -7.370349290e-02 
4.76 -6.661026622e-02 
4.78 -6.084963392e-02 
4.80 -5.630128538e-02 
4.82 -5.279216445e-02 
4.84 -5.012920606e-02 
4.86 -4.811855559e-02 
4.88 -4.657843637e-02 
4.90 -4.534882583e-02 
4.92 -4.429700832e-02 
4.94 -4.331897271e-02 
4.96 -4.233752716e-02 
4.98 -4.129903746e-02 
5.00 -4.016838894e-02 
5.02 -3.892691956e-02 
5.04 -3.757659729e-02 
5.06 -3.612028967e-02 
5.08 -3.455558168e-02 
5.10 -3.288168444e-02 
5.12 -3.109999648e-02 
5.14 -2.921469099e-02 
5.16 -2.723293098e-02 
5.18 -2.516566710e-02 
5.20 -2.302794378e-02 
5.22 -2.083639860e-02 
5.24 -1.860566888e-02 
5.26 -1.635488009e-02 
5.28 -1.410869834e-02 
5.30 -1.189673329e-02 
5.32 -9.752606215e-03 
5.34 -7.712698679e-03 
5.36 -5.813890012e-03 
5.38 -4.091190412e-03 
5.40 -2.574915474e-03 
5.42 -1.287900782e-03 
5.44 -2.431521429e-04 
5.46  5.579395539e-04 
5.48  1.126414287e-03 
5.50  1.484878571e-03 
5.52  1.667362256e-03 
5.54  1.711031169e-03 
5.56  1.643319492e-03 
5.58  1.492451621e-03 
5.60  1.287325421e-03 
5.62  1.055174614e-03 
5.64  8.195630328e-04 
5.66  5.994929161e-04 
5.68  4.084103746e-04 
5.70  2.543734222e-04 
5.72  1.402868480e-04 
5.74  6.454253935e-05 
5.76  2.182254326e-05 
5.78  3.749105231e-06 
5.80  6.675689657e-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