# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Co-Cr
# implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1
# composition = Cr2Ni
# 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  3.988161363e+05 
0.94  3.018922001e+05 
0.96  2.295742284e+05 
0.98  1.753375122e+05 
1.00  1.344616830e+05 
1.02  1.035109866e+05 
1.04  7.997072259e+04 
1.06  6.198988162e+04 
1.08  4.819873732e+04 
1.10  3.757879065e+04 
1.12  2.936922485e+04 
1.14  2.299913373e+04 
1.16  1.803847723e+04 
1.18  1.417481978e+04 
1.20  1.116440690e+04 
1.22  8.812200035e+03 
1.24  6.969361209e+03 
1.26  5.521916438e+03 
1.28  4.382320537e+03 
1.30  3.483081702e+03 
1.32  2.771973611e+03 
1.34  2.208490814e+03 
1.36  1.761139413e+03 
1.38  1.405355224e+03 
1.40  1.121944215e+03 
1.42  8.958986277e+02 
1.44  7.154414999e+02 
1.46  5.712686816e+02 
1.48  4.559937916e+02 
1.50  3.637425206e+02 
1.52  2.898515311e+02 
1.54  2.306209149e+02 
1.56  1.831177271e+02 
1.58  1.449985742e+02 
1.60  1.144140510e+02 
1.62  8.991134723e+01 
1.64  7.032247503e+01 
1.66  5.469238859e+01 
1.68  4.224252835e+01 
1.70  3.234530938e+01 
1.72  2.450118341e+01 
1.74  1.831038313e+01 
1.76  1.344989072e+01 
1.78  9.654241261e+00 
1.80  6.704058155e+00 
1.82  4.401218536e+00 
1.84  2.590063721e+00 
1.86  1.165620491e+00 
1.88  4.592804276e-02 
1.90 -8.334223073e-01 
1.92 -1.522204928e+00 
1.94 -2.054917927e+00 
1.96 -2.462130876e+00 
1.98 -2.775582144e+00 
2.00 -3.022133158e+00 
2.02 -3.222878073e+00 
2.04 -3.394059054e+00 
2.06 -3.546114427e+00 
2.08 -3.684684674e+00 
2.10 -3.811449666e+00 
2.12 -3.925888671e+00 
2.14 -4.027101148e+00 
2.16 -4.114581422e+00 
2.18 -4.188367019e+00 
2.20 -4.249249617e+00 
2.22 -4.298812757e+00 
2.24 -4.339241190e+00 
2.26 -4.372929699e+00 
2.28 -4.402038779e+00 
2.30 -4.428076016e+00 
2.32 -4.451620626e+00 
2.34 -4.472351712e+00 
2.36 -4.489284023e+00 
2.38 -4.501202590e+00 
2.40 -4.507655192e+00 
2.42 -4.509372472e+00 
2.44 -4.507839566e+00 
2.46 -4.505036513e+00 
2.48 -4.502342942e+00 
2.50 -4.499746189e+00 
2.52 -4.495138148e+00 
2.54 -4.485151632e+00 
2.56 -4.467843046e+00 
2.58 -4.442596873e+00 
2.60 -4.409415016e+00 
2.62 -4.368436853e+00 
2.64 -4.319804337e+00 
2.66 -4.263998834e+00 
2.68 -4.201696252e+00 
2.70 -4.133519442e+00 
2.72 -4.059936588e+00 
2.74 -3.981278968e+00 
2.76 -3.897835397e+00 
2.78 -3.809848598e+00 
2.80 -3.717624400e+00 
2.82 -3.621860996e+00 
2.84 -3.523521840e+00 
2.86 -3.423532584e+00 
2.88 -3.322793798e+00 
2.90 -3.222182115e+00 
2.92 -3.122502222e+00 
2.94 -3.024405961e+00 
2.96 -2.928327838e+00 
2.98 -2.834739967e+00 
3.00 -2.744337161e+00 
3.02 -2.657873045e+00 
3.04 -2.575973936e+00 
3.06 -2.498979580e+00 
3.08 -2.426871211e+00 
3.10 -2.359291035e+00 
3.12 -2.295672967e+00 
3.14 -2.235509193e+00 
3.16 -2.178637289e+00 
3.18 -2.125020407e+00 
3.20 -2.074550787e+00 
3.22 -2.027053239e+00 
3.24 -1.982298579e+00 
3.26 -1.940018697e+00 
3.28 -1.899922177e+00 
3.30 -1.861709548e+00 
3.32 -1.825087406e+00 
3.34 -1.789780743e+00 
3.36 -1.755542993e+00 
3.38 -1.722163441e+00 
3.40 -1.689471758e+00 
3.42 -1.657339610e+00 
3.44 -1.625679369e+00 
3.46 -1.594440153e+00 
3.48 -1.563601531e+00 
3.50 -1.533165357e+00 
3.52 -1.503146385e+00 
3.54 -1.473562397e+00 
3.56 -1.444424772e+00 
3.58 -1.415730517e+00 
3.60 -1.387456958e+00 
3.62 -1.359560410e+00 
3.64 -1.331980279e+00 
3.66 -1.304650223e+00 
3.68 -1.277518069e+00 
3.70 -1.250567311e+00 
3.72 -1.223802031e+00 
3.74 -1.197231011e+00 
3.76 -1.170866950e+00 
3.78 -1.144726325e+00 
3.80 -1.118829189e+00 
3.82 -1.093198918e+00 
3.84 -1.067861897e+00 
3.86 -1.042847097e+00 
3.88 -1.018185548e+00 
3.90 -9.939096723e-01 
3.92 -9.700524521e-01 
3.94 -9.466464194e-01 
3.96 -9.237224241e-01 
3.98 -9.013081582e-01 
4.00 -8.794264067e-01 
4.02 -8.580929954e-01 
4.04 -8.373143868e-01 
4.06 -8.170848614e-01 
4.08 -7.973833217e-01 
4.10 -7.781696810e-01 
4.12 -7.593806646e-01 
4.14 -7.409249475e-01 
4.16 -7.226781376e-01 
4.18 -7.044847150e-01 
4.20 -6.862086984e-01 
4.22 -6.677655194e-01 
4.24 -6.491133706e-01 
4.26 -6.302457492e-01 
4.28 -6.111823096e-01 
4.30 -5.919645844e-01 
4.32 -5.726484007e-01 
4.34 -5.533018128e-01 
4.36 -5.340001677e-01 
4.38 -5.148227333e-01 
4.40 -4.958538178e-01 
4.42 -4.771753717e-01 
4.44 -4.588705114e-01 
4.46 -4.410235411e-01 
4.48 -4.237104935e-01 
4.50 -4.070071561e-01 
4.52 -3.909900074e-01 
4.54 -3.757284559e-01 
4.56 -3.612741067e-01 
4.58 -3.476889597e-01 
4.60 -3.350292855e-01 
4.62 -3.233430089e-01 
4.64 -3.125533447e-01 
4.66 -3.026724533e-01 
4.68 -2.938089792e-01 
4.70 -2.860172210e-01 
4.72 -2.793055035e-01 
4.74 -2.736325912e-01 
4.76 -2.689933418e-01 
4.78 -2.650974345e-01 
4.80 -2.614921223e-01 
4.82 -2.577441517e-01 
4.84 -2.534229730e-01 
4.86 -2.483340671e-01 
4.88 -2.424312352e-01 
4.90 -2.357342993e-01 
4.92 -2.283122384e-01 
4.94 -2.202897170e-01 
4.96 -2.117613603e-01 
4.98 -2.027876475e-01 
5.00 -1.934598898e-01 
5.02 -1.838874824e-01 
5.04 -1.741874983e-01 
5.06 -1.644763754e-01 
5.08 -1.548635011e-01 
5.10 -1.454339638e-01 
5.12 -1.362884632e-01 
5.14 -1.275653348e-01 
5.16 -1.193577292e-01 
5.18 -1.117197200e-01 
5.20 -1.046748812e-01 
5.22 -9.822404337e-02 
5.24 -9.234900902e-02 
5.26 -8.701540661e-02 
5.28 -8.217675097e-02 
5.30 -7.777813353e-02 
5.32 -7.375948289e-02 
5.34 -7.005843094e-02 
5.36 -6.661281147e-02 
5.38 -6.336281186e-02 
5.40 -6.025279346e-02 
5.42 -5.723279288e-02 
5.44 -5.425971406e-02 
5.46 -5.129821982e-02 
5.48 -4.832133108e-02 
5.50 -4.531074280e-02 
5.52 -4.225686636e-02 
5.54 -3.915861034e-02 
5.56 -3.602291347e-02 
5.58 -3.286404667e-02 
5.60 -2.970270365e-02 
5.62 -2.656490346e-02 
5.64 -2.348073146e-02 
5.66 -2.048294943e-02 
5.68 -1.760550943e-02 
5.70 -1.488201002e-02 
5.72 -1.234413805e-02 
5.74 -1.002014331e-02 
5.76 -7.933398016e-03 
5.78 -6.101097408e-03 
5.80 -4.533162546e-03 
5.82 -3.231410743e-03 
5.84 -2.189063852e-03 
5.86 -1.390669204e-03 
5.88 -8.125126501e-04 
5.90 -4.236078204e-04 
5.92 -1.873503832e-04 
5.94 -6.393073715e-05 
5.96 -1.360324610e-05 
5.98 -9.147813407e-07 
6.00 -3.652322607e-13