# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn
# implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1
# composition = MnNi2
# 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  6.669799772e+03 
0.90  6.044987767e+03 
0.92  5.479444746e+03 
0.94  4.967172090e+03 
0.96  4.502472848e+03 
0.98  4.080142992e+03 
1.00  3.695601545e+03 
1.02  3.345002423e+03 
1.04  3.024964311e+03 
1.06  2.732285561e+03 
1.08  2.464173938e+03 
1.10  2.218300497e+03 
1.12  1.992610428e+03 
1.14  1.785265492e+03 
1.16  1.594629843e+03 
1.18  1.419021335e+03 
1.20  1.256952026e+03 
1.22  1.107164267e+03 
1.24  9.685213891e+02 
1.26  8.401551972e+02 
1.28  7.213430072e+02 
1.30  6.112451592e+02 
1.32  5.091591674e+02 
1.34  4.144137360e+02 
1.36  3.292243122e+02 
1.38  2.621205471e+02 
1.40  2.097798304e+02 
1.42  1.687545402e+02 
1.44  1.364337425e+02 
1.46  1.108029486e+02 
1.48  9.034216921e+01 
1.50  7.390906958e+01 
1.52  6.062010424e+01 
1.54  4.980005360e+01 
1.56  4.094029433e+01 
1.58  3.365132073e+01 
1.60  2.762365564e+01 
1.62  2.261302643e+01 
1.64  1.843164346e+01 
1.66  1.493232408e+01 
1.68  1.199557321e+01 
1.70  9.523611017e+00 
1.72  7.435962669e+00 
1.74  5.665556062e+00 
1.76  4.161483767e+00 
1.78  2.889748616e+00 
1.80  1.822465035e+00 
1.82  9.341461782e-01 
1.84  2.005532743e-01 
1.86 -4.000366528e-01 
1.88 -8.875924536e-01 
1.90 -1.280910491e+00 
1.92 -1.596954139e+00 
1.94 -1.851812868e+00 
1.96 -2.059996256e+00 
1.98 -2.235284923e+00 
2.00 -2.390531763e+00 
2.02 -2.534257180e+00 
2.04 -2.667794403e+00 
2.06 -2.790894441e+00 
2.08 -2.904021898e+00 
2.10 -3.007981331e+00 
2.12 -3.103097079e+00 
2.14 -3.188000286e+00 
2.16 -3.260378571e+00 
2.18 -3.318347195e+00 
2.20 -3.361478329e+00 
2.22 -3.389789594e+00 
2.24 -3.403692086e+00 
2.26 -3.405118278e+00 
2.28 -3.396387289e+00 
2.30 -3.379891119e+00 
2.32 -3.358170670e+00 
2.34 -3.333865041e+00 
2.36 -3.308895938e+00 
2.38 -3.283487106e+00 
2.40 -3.257344282e+00 
2.42 -3.230131935e+00 
2.44 -3.201575381e+00 
2.46 -3.171413203e+00 
2.48 -3.139767200e+00 
2.50 -3.106799100e+00 
2.52 -3.072533474e+00 
2.54 -3.037004876e+00 
2.56 -3.000256668e+00 
2.58 -2.962339051e+00 
2.60 -2.923299118e+00 
2.62 -2.883112239e+00 
2.64 -2.841722529e+00 
2.66 -2.799167637e+00 
2.68 -2.755590537e+00 
2.70 -2.711219982e+00 
2.72 -2.666344449e+00 
2.74 -2.621161662e+00 
2.76 -2.575680703e+00 
2.78 -2.529852784e+00 
2.80 -2.483711290e+00 
2.82 -2.437358086e+00 
2.84 -2.390872135e+00 
2.86 -2.344316351e+00 
2.88 -2.297737675e+00 
2.90 -2.251173751e+00 
2.92 -2.204666557e+00 
2.94 -2.158268269e+00 
2.96 -2.112038811e+00 
2.98 -2.066041095e+00 
3.00 -2.020340031e+00 
3.02 -1.975002921e+00 
3.04 -1.930107542e+00 
3.06 -1.885739098e+00 
3.08 -1.841976684e+00 
3.10 -1.798794298e+00 
3.12 -1.756053065e+00 
3.14 -1.713604745e+00 
3.16 -1.671296251e+00 
3.18 -1.628967467e+00 
3.20 -1.586449462e+00 
3.22 -1.543565307e+00 
3.24 -1.500162918e+00 
3.26 -1.456192223e+00 
3.28 -1.411693499e+00 
3.30 -1.366838045e+00 
3.32 -1.321920220e+00 
3.34 -1.277221548e+00 
3.36 -1.232835663e+00 
3.38 -1.188639952e+00 
3.40 -1.144420895e+00 
3.42 -1.100004650e+00 
3.44 -1.055312525e+00 
3.46 -1.010422796e+00 
3.48 -9.654982549e-01 
3.50 -9.207052875e-01 
3.52 -8.762118817e-01 
3.54 -8.321876334e-01 
3.56 -7.888037025e-01 
3.58 -7.462326470e-01 
3.60 -7.046479007e-01 
3.62 -6.642237855e-01 
3.64 -6.251376139e-01 
3.66 -5.875619382e-01 
3.68 -5.516678734e-01 
3.70 -5.176075352e-01 
3.72 -4.855333156e-01 
3.74 -4.555812611e-01 
3.76 -4.279133701e-01 
3.78 -4.026227487e-01 
3.80 -3.798449257e-01 
3.82 -3.595978994e-01 
3.84 -3.416103661e-01 
3.86 -3.255787522e-01 
3.88 -3.117311781e-01 
3.90 -3.001086374e-01 
3.92 -2.906131542e-01 
3.94 -2.830624228e-01 
3.96 -2.772724374e-01 
3.98 -2.731218005e-01 
4.00 -2.700804192e-01 
4.02 -2.676917485e-01 
4.04 -2.656604606e-01 
4.06 -2.637642942e-01 
4.08 -2.618208714e-01 
4.10 -2.596786278e-01 
4.12 -2.572103581e-01 
4.14 -2.543073975e-01 
4.16 -2.508848933e-01 
4.18 -2.469335705e-01 
4.20 -2.424759938e-01 
4.22 -2.375366009e-01 
4.24 -2.320950651e-01 
4.26 -2.262265650e-01 
4.28 -2.200346704e-01 
4.30 -2.136015646e-01 
4.32 -2.069903811e-01 
4.34 -2.002481924e-01 
4.36 -1.934071615e-01 
4.38 -1.864857667e-01 
4.40 -1.794875769e-01 
4.42 -1.724042190e-01 
4.44 -1.652161269e-01 
4.46 -1.578905443e-01 
4.48 -1.503810916e-01 
4.50 -1.426278551e-01 
4.52 -1.345501973e-01 
4.54 -1.260400095e-01 
4.56 -1.170189145e-01 
4.58 -1.074442874e-01 
4.60 -9.734536659e-02 
4.62 -8.686289758e-02 
4.64 -7.629654958e-02 
4.66 -6.611735830e-02 
4.68 -5.690218431e-02 
4.70 -4.918527973e-02 
4.72 -4.328314755e-02 
4.74 -3.916077374e-02 
4.76 -3.651049793e-02 
4.78 -3.489437026e-02 
4.80 -3.388550612e-02 
4.82 -3.315455176e-02 
4.84 -3.249711105e-02 
4.86 -3.182500551e-02 
4.88 -3.112395569e-02 
4.90 -3.039247342e-02 
4.92 -2.962990325e-02 
4.94 -2.883620926e-02 
4.96 -2.801175073e-02 
4.98 -2.715708100e-02 
5.00 -2.627208248e-02 
5.02 -2.535243341e-02 
5.04 -2.440379873e-02 
5.06 -2.343258148e-02 
5.08 -2.244330613e-02 
5.10 -2.143873025e-02 
5.12 -2.041991581e-02 
5.14 -1.938626821e-02 
5.16 -1.833555783e-02 
5.18 -1.726395110e-02 
5.20 -1.616609967e-02 
5.22 -1.503537077e-02 
5.24 -1.386435335e-02 
5.26 -1.264583917e-02 
5.28 -1.137453443e-02 
5.30 -1.004974336e-02 
5.32 -8.679053975e-03 
5.34 -7.282479124e-03 
5.36 -5.895507047e-03 
5.38 -4.568512698e-03 
5.40 -3.360127851e-03 
5.42 -2.324679295e-03 
5.44 -1.498000327e-03 
5.46 -8.883387648e-04 
5.48 -4.766920731e-04 
5.50 -2.253516739e-04 
5.52 -8.955037966e-05 
5.54 -2.729978076e-05 
5.56 -5.174915227e-06 
5.58 -3.098095876e-07 
5.60 -1.762476669e-12 
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