# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Cr
# implementation = 2024--Mendelev-M-I--Ni-Al-Cr--LAMMPS--ipr1
# composition = Al2Cr
# 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 2024-11-27

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  nan             
0.98  1.375395311e+08 
1.00  1.185055012e+08 
1.02  1.009368263e+08 
1.04  8.469512668e+07 
1.06  6.965751967e+07 
1.08  5.571464523e+07 
1.10  4.276884779e+07 
1.12  3.162082549e+07 
1.14  2.343312555e+07 
1.16  1.742547100e+07 
1.18  1.300067196e+07 
1.20  9.729870290e+06 
1.22  7.303707681e+06 
1.24  5.498029276e+06 
1.26  4.149774820e+06 
1.28  3.139871926e+06 
1.30  2.381037915e+06 
1.32  1.809077136e+06 
1.34  1.376623552e+06 
1.36  1.048615974e+06 
1.38  7.990199799e+05 
1.40  6.084475198e+05 
1.42  4.624186799e+05 
1.44  3.503497675e+05 
1.46  2.653348835e+05 
1.48  2.009459201e+05 
1.50  1.521499542e+05 
1.52  1.151558852e+05 
1.54  8.710327089e+04 
1.56  6.583014689e+04 
1.58  4.970030905e+04 
1.60  3.747423266e+04 
1.62  2.821205626e+04 
1.64  2.120056291e+04 
1.66  1.589814794e+04 
1.68  1.189326915e+04 
1.70  8.873033564e+03 
1.72  6.599482170e+03 
1.74  4.891640945e+03 
1.76  3.611898548e+03 
1.78  2.655653042e+03 
1.80  1.943435667e+03 
1.82  1.414887914e+03 
1.84  1.024229860e+03 
1.86  7.368082603e+02 
1.88  5.264118403e+02 
1.90  3.732568627e+02 
1.92  2.624571665e+02 
1.94  1.828477742e+02 
1.96  1.260649343e+02 
1.98  8.588385968e+01 
2.00  5.769908795e+01 
2.02  3.812186800e+01 
2.04  2.466548603e+01 
2.06  1.551482802e+01 
2.08  9.354813070e+00 
2.10  5.241113832e+00 
2.12  2.503076700e+00 
2.14  6.717469573e-01 
2.16 -5.742740794e-01 
2.18 -1.450671409e+00 
2.20 -2.098070391e+00 
2.22 -2.604674838e+00 
2.24 -3.022937157e+00 
2.26 -3.381710790e+00 
2.28 -3.694992461e+00 
2.30 -3.968096313e+00 
2.32 -4.201918683e+00 
2.34 -4.395944134e+00 
2.36 -4.550161032e+00 
2.38 -4.665710288e+00 
2.40 -4.744946147e+00 
2.42 -4.791396924e+00 
2.44 -4.809607940e+00 
2.46 -4.804934448e+00 
2.48 -4.783311344e+00 
2.50 -4.750987892e+00 
2.52 -4.714232338e+00 
2.54 -4.678934253e+00 
2.56 -4.650114877e+00 
2.58 -4.631284072e+00 
2.60 -4.623559972e+00 
2.62 -4.624507998e+00 
2.64 -4.628484876e+00 
2.66 -4.630926259e+00 
2.68 -4.629526197e+00 
2.70 -4.623559503e+00 
2.72 -4.613218743e+00 
2.74 -4.599156589e+00 
2.76 -4.582139295e+00 
2.78 -4.562754714e+00 
2.80 -4.541239012e+00 
2.82 -4.517584696e+00 
2.84 -4.491635727e+00 
2.86 -4.463241954e+00 
2.88 -4.432404543e+00 
2.90 -4.399398087e+00 
2.92 -4.364893328e+00 
2.94 -4.329647180e+00 
2.96 -4.294108494e+00 
2.98 -4.258438807e+00 
3.00 -4.222623563e+00 
3.02 -4.186575865e+00 
3.04 -4.150032742e+00 
3.06 -4.112367044e+00 
3.08 -4.072701799e+00 
3.10 -4.030041564e+00 
3.12 -3.983361868e+00 
3.14 -3.931684680e+00 
3.16 -3.874404381e+00 
3.18 -3.811569379e+00 
3.20 -3.743744480e+00 
3.22 -3.671839802e+00 
3.24 -3.596963737e+00 
3.26 -3.520303195e+00 
3.28 -3.443031979e+00 
3.30 -3.366151952e+00 
3.32 -3.290367894e+00 
3.34 -3.216120188e+00 
3.36 -3.143622036e+00 
3.38 -3.072896695e+00 
3.40 -3.003814135e+00 
3.42 -2.936127207e+00 
3.44 -2.869507224e+00 
3.46 -2.803582188e+00 
3.48 -2.737990116e+00 
3.50 -2.672416177e+00 
3.52 -2.606612080e+00 
3.54 -2.540411884e+00 
3.56 -2.473743383e+00 
3.58 -2.406633296e+00 
3.60 -2.339204291e+00 
3.62 -2.271661723e+00 
3.64 -2.204267779e+00 
3.66 -2.137300563e+00 
3.68 -2.070995505e+00 
3.70 -2.005491715e+00 
3.72 -1.940885722e+00 
3.74 -1.877278582e+00 
3.76 -1.814776512e+00 
3.78 -1.753489493e+00 
3.80 -1.693529750e+00 
3.82 -1.635010091e+00 
3.84 -1.578042068e+00 
3.86 -1.522733942e+00 
3.88 -1.469188400e+00 
3.90 -1.417499986e+00 
3.92 -1.367752208e+00 
3.94 -1.320014267e+00 
3.96 -1.274337355e+00 
3.98 -1.230750470e+00 
4.00 -1.189256368e+00 
4.02 -1.149835179e+00 
4.04 -1.112451467e+00 
4.06 -1.077055699e+00 
4.08 -1.043585278e+00 
4.10 -1.011965897e+00 
4.12 -9.821131995e-01 
4.14 -9.539347643e-01 
4.16 -9.273324225e-01 
4.18 -9.022037656e-01 
4.20 -8.784367599e-01 
4.22 -8.559063079e-01 
4.24 -8.344761747e-01 
4.26 -8.140013017e-01 
4.28 -7.943301750e-01 
4.30 -7.753072189e-01 
4.32 -7.567752569e-01 
4.34 -7.385779248e-01 
4.36 -7.205621450e-01 
4.38 -7.025805082e-01 
4.40 -6.844936629e-01 
4.42 -6.661726272e-01 
4.44 -6.475009973e-01 
4.46 -6.283770488e-01 
4.48 -6.087157053e-01 
4.50 -5.884503424e-01 
4.52 -5.675343966e-01 
4.54 -5.459427571e-01 
4.56 -5.236728826e-01 
4.58 -5.007456062e-01 
4.60 -4.772056478e-01 
4.62 -4.531219024e-01 
4.64 -4.285872157e-01 
4.66 -4.037171756e-01 
4.68 -3.786498064e-01 
4.70 -3.535435563e-01 
4.72 -3.285741229e-01 
4.74 -3.039343252e-01 
4.76 -2.798260278e-01 
4.78 -2.564625319e-01 
4.80 -2.340550783e-01 
4.82 -2.128168032e-01 
4.84 -1.929486256e-01 
4.86 -1.746313548e-01 
4.88 -1.580317441e-01 
4.90 -1.432651717e-01 
4.92 -1.304070002e-01 
4.94 -1.194938781e-01 
4.96 -1.104667774e-01 
4.98 -1.030257153e-01 
5.00 -9.709207047e-02 
5.02 -9.249056416e-02 
5.04 -8.897381341e-02 
5.06 -8.636387300e-02 
5.08 -8.445241762e-02 
5.10 -8.258436299e-02 
5.12 -8.039925129e-02 
5.14 -7.770027657e-02 
5.16 -7.440209838e-02 
5.18 -7.050784650e-02 
5.20 -6.611326887e-02 
5.22 -6.111016357e-02 
5.24 -5.551540708e-02 
5.26 -4.949291467e-02 
5.28 -4.318739559e-02 
5.30 -3.672630618e-02 
5.32 -3.022239773e-02 
5.34 -2.377318638e-02 
5.36 -1.745066191e-02 
5.38 -1.139565270e-02 
5.40 -5.731642979e-03 
5.42 -5.442973266e-04 
5.44  4.110856394e-03 
5.46  8.202244127e-03 
5.48  1.171727103e-02 
5.50  1.465831906e-02 
5.52  1.703952684e-02 
5.54  1.888420038e-02 
5.56  2.022273464e-02 
5.58  2.109095199e-02 
5.60  2.152878494e-02 
5.62  2.157924742e-02 
5.64  2.128764913e-02 
5.66  2.070076324e-02 
5.68  1.986551246e-02 
5.70  1.882797231e-02 
5.72  1.763263716e-02 
5.74  1.632179059e-02 
5.76  1.493497168e-02 
5.78  1.350853275e-02 
5.80  1.207528524e-02 
5.82  1.066423137e-02 
5.84  9.300379563e-03 
5.86  8.004641926e-03 
5.88  6.793811541e-03 
5.90  5.680617279e-03 
5.92  4.673852929e-03 
5.94  3.778576786e-03 
5.96  2.996376881e-03 
5.98  2.325695994e-03 
6.00  1.762209503e-03