# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn
# implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1
# composition = Cu2Mn
# 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 2024-01-04

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  9.587894658e+02 
0.90  8.764006903e+02 
0.92  8.023326683e+02 
0.94  7.356604469e+02 
0.96  6.756353089e+02 
0.98  6.216006322e+02 
1.00  5.729523880e+02 
1.02  5.291069137e+02 
1.04  4.894588142e+02 
1.06  4.534237036e+02 
1.08  4.205834131e+02 
1.10  3.906165978e+02 
1.12  3.632242878e+02 
1.14  3.381008401e+02 
1.16  3.149481024e+02 
1.18  2.934916324e+02 
1.20  2.734851708e+02 
1.22  2.547212026e+02 
1.24  2.370749806e+02 
1.26  2.204750764e+02 
1.28  2.048614302e+02 
1.30  1.901762695e+02 
1.32  1.763532014e+02 
1.34  1.633293778e+02 
1.36  1.510501904e+02 
1.38  1.394792157e+02 
1.40  1.285922857e+02 
1.42  1.183665256e+02 
1.44  1.087734370e+02 
1.46  9.977863256e+01 
1.48  9.134873785e+01 
1.50  8.345218855e+01 
1.52  7.605963481e+01 
1.54  6.914293701e+01 
1.56  6.267633599e+01 
1.58  5.664100166e+01 
1.60  5.101937254e+01 
1.62  4.579357771e+01 
1.64  4.094635946e+01 
1.66  3.646097359e+01 
1.68  3.232267895e+01 
1.70  2.851789836e+01 
1.72  2.503237186e+01 
1.74  2.185070290e+01 
1.76  1.895691699e+01 
1.78  1.633455617e+01 
1.80  1.396662940e+01 
1.82  1.183639897e+01 
1.84  9.927466614e+00 
1.86  8.223433567e+00 
1.88  6.707633434e+00 
1.90  5.363705696e+00 
1.92  4.176624999e+00 
1.94  3.131670621e+00 
1.96  2.214401552e+00 
1.98  1.410731679e+00 
2.00  7.068084731e-01 
2.02  8.944865319e-02 
2.04 -4.500158694e-01 
2.06 -9.181544846e-01 
2.08 -1.320783137e+00 
2.10 -1.663691189e+00 
2.12 -1.952446134e+00 
2.14 -2.191618360e+00 
2.16 -2.385172563e+00 
2.18 -2.536937407e+00 
2.20 -2.650642536e+00 
2.22 -2.730276511e+00 
2.24 -2.780691250e+00 
2.26 -2.808243133e+00 
2.28 -2.819642632e+00 
2.30 -2.821608192e+00 
2.32 -2.820109131e+00 
2.34 -2.817928011e+00 
2.36 -2.816033381e+00 
2.38 -2.813896845e+00 
2.40 -2.810805833e+00 
2.42 -2.805961216e+00 
2.44 -2.798530634e+00 
2.46 -2.787770329e+00 
2.48 -2.773444004e+00 
2.50 -2.755772872e+00 
2.52 -2.735004690e+00 
2.54 -2.711375965e+00 
2.56 -2.685096617e+00 
2.58 -2.656345422e+00 
2.60 -2.625277399e+00 
2.62 -2.592038216e+00 
2.64 -2.556777939e+00 
2.66 -2.519673508e+00 
2.68 -2.480920744e+00 
2.70 -2.440709604e+00 
2.72 -2.399215230e+00 
2.74 -2.356592859e+00 
2.76 -2.312976312e+00 
2.78 -2.268480683e+00 
2.80 -2.223213212e+00 
2.82 -2.177280724e+00 
2.84 -2.130792710e+00 
2.86 -2.083863680e+00 
2.88 -2.036615061e+00 
2.90 -1.989176716e+00 
2.92 -1.941688014e+00 
2.94 -1.894298868e+00 
2.96 -1.847149443e+00 
2.98 -1.800260765e+00 
3.00 -1.753616312e+00 
3.02 -1.707211619e+00 
3.04 -1.661053058e+00 
3.06 -1.615155162e+00 
3.08 -1.569536345e+00 
3.10 -1.524213128e+00 
3.12 -1.479193768e+00 
3.14 -1.434472934e+00 
3.16 -1.390029447e+00 
3.18 -1.345828384e+00 
3.20 -1.301827132e+00 
3.22 -1.257983225e+00 
3.24 -1.214261084e+00 
3.26 -1.170635666e+00 
3.28 -1.127118754e+00 
3.30 -1.083799023e+00 
3.32 -1.040779860e+00 
3.34 -9.981637296e-01 
3.36 -9.560481574e-01 
3.38 -9.145223222e-01 
3.40 -8.736653251e-01 
3.42 -8.335487880e-01 
3.44 -7.942383037e-01 
3.46 -7.557934277e-01 
3.48 -7.182676896e-01 
3.50 -6.817086557e-01 
3.52 -6.461580380e-01 
3.54 -6.116518479e-01 
3.56 -5.782205836e-01 
3.58 -5.458896292e-01 
3.60 -5.146852671e-01 
3.62 -4.846361643e-01 
3.64 -4.557669170e-01 
3.66 -4.280979199e-01 
3.68 -4.016456686e-01 
3.70 -3.764230658e-01 
3.72 -3.524397293e-01 
3.74 -3.297022938e-01 
3.76 -3.082147103e-01 
3.78 -2.879785337e-01 
3.80 -2.689932035e-01 
3.82 -2.512563084e-01 
3.84 -2.347638297e-01 
3.86 -2.195103828e-01 
3.88 -2.054894480e-01 
3.90 -1.926879730e-01 
3.92 -1.810373681e-01 
3.94 -1.704373949e-01 
3.96 -1.607869668e-01 
3.98 -1.519847102e-01 
4.00 -1.439290403e-01 
4.02 -1.365263376e-01 
4.04 -1.297154190e-01 
4.06 -1.234434961e-01 
4.08 -1.176583106e-01 
4.10 -1.123081154e-01 
4.12 -1.073417699e-01 
4.14 -1.027089728e-01 
4.16 -9.836003349e-02 
4.18 -9.424650405e-02 
4.20 -9.032033013e-02 
4.22 -8.654141537e-02 
4.24 -8.290427515e-02 
4.26 -7.941215010e-02 
4.28 -7.606963749e-02 
4.30 -7.288271331e-02 
4.32 -6.985758405e-02 
4.34 -6.700044605e-02 
4.36 -6.431746390e-02 
4.38 -6.181339539e-02 
4.40 -5.948921723e-02 
4.42 -5.734290518e-02 
4.44 -5.536893013e-02 
4.46 -5.355747376e-02 
4.48 -5.189360191e-02 
4.50 -5.035721713e-02 
4.52 -4.892938716e-02 
4.54 -4.759089716e-02 
4.56 -4.632342758e-02 
4.58 -4.511006353e-02 
4.60 -4.391093389e-02 
4.62 -4.271672966e-02 
4.64 -4.153781545e-02 
4.66 -4.038363378e-02 
4.68 -3.926280204e-02 
4.70 -3.818306690e-02 
4.72 -3.715155400e-02 
4.74 -3.619920732e-02 
4.76 -3.529865840e-02 
4.78 -3.439567686e-02 
4.80 -3.344557223e-02 
4.82 -3.241196676e-02 
4.84 -3.126572507e-02 
4.86 -2.998409123e-02 
4.88 -2.855013396e-02 
4.90 -2.695249395e-02 
4.92 -2.517735356e-02 
4.94 -2.323930789e-02 
4.96 -2.119530410e-02 
4.98 -1.909818057e-02 
5.00 -1.699601558e-02 
5.02 -1.493215371e-02 
5.04 -1.294490323e-02 
5.06 -1.106700098e-02 
5.08 -9.324986049e-03 
5.10 -7.738651171e-03 
5.12 -6.320735799e-03 
5.14 -5.076982361e-03 
5.16 -4.006604532e-03 
5.18 -3.103133567e-03 
5.20 -2.355540381e-03 
5.22 -1.749495097e-03 
5.24 -1.268626250e-03 
5.26 -8.956696688e-04 
5.28 -6.134366348e-04 
5.30 -4.055690537e-04 
5.32 -2.570786411e-04 
5.34 -1.546865352e-04 
5.36 -8.699103026e-05 
5.38 -4.449666632e-05 
5.40 -1.953934010e-05 
5.42 -6.140458348e-06 
5.44  1.807735901e-07 
5.46  2.613204264e-06 
5.48  3.259959216e-06 
5.50  3.333046321e-06 
5.52  3.333333333e-06 
5.54  3.333333333e-06 
5.56  3.333333333e-06 
5.58  3.333333333e-06 
5.60  3.333333333e-06 
5.62  3.333333333e-06 
5.64  3.333333333e-06 
5.66  3.333333333e-06 
5.68  3.333333333e-06 
5.70  3.333333333e-06 
5.72  3.333333333e-06 
5.74  3.333333333e-06 
5.76  3.333333333e-06 
5.78  3.333333333e-06 
5.80  3.333333333e-06 
5.82  3.333333333e-06 
5.84  3.333333333e-06 
5.86  3.333333333e-06 
5.88  3.333333333e-06 
5.90  3.333333333e-06 
5.92  3.333333333e-06 
5.94  3.333333333e-06 
5.96  3.333333333e-06 
5.98  3.333333333e-06 
6.00  3.333333333e-06