# 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 = CrNi2
# 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 -3.872248418e+02 
0.92 -3.597853948e+02 
0.94 -3.347188144e+02 
0.96 -3.116620657e+02 
0.98 -2.903680645e+02 
1.00 -2.706349323e+02 
1.02 -2.522667834e+02 
1.04 -2.351859254e+02 
1.06 -2.193540199e+02 
1.08 -2.047714297e+02 
1.10 -1.913400113e+02 
1.12 -1.789159742e+02 
1.14 -1.674322533e+02 
1.16 -1.568238819e+02 
1.18 -1.470244296e+02 
1.20 -1.379802938e+02 
1.22 -1.296378622e+02 
1.24 -1.219324777e+02 
1.26 -1.147809943e+02 
1.28 -1.081075257e+02 
1.30 -1.018162810e+02 
1.32 -9.582961463e+01 
1.34 -9.007489964e+01 
1.36 -8.448602139e+01 
1.38 -7.903092935e+01 
1.40 -7.370386571e+01 
1.42 -6.847895487e+01 
1.44 -6.331610585e+01 
1.46 -5.817546630e+01 
1.48 -5.302803205e+01 
1.50 -4.786174018e+01 
1.52 -4.268755865e+01 
1.54 -3.752895759e+01 
1.56 -3.242199283e+01 
1.58 -2.740448184e+01 
1.60 -2.250546245e+01 
1.62 -1.774733847e+01 
1.64 -1.316067009e+01 
1.66 -9.048504129e+00 
1.68 -6.080446021e+00 
1.70 -4.023349663e+00 
1.72 -2.637969658e+00 
1.74 -1.736474854e+00 
1.76 -1.176002511e+00 
1.78 -8.466490246e-01 
1.80 -6.643490102e-01 
1.82 -5.684161622e-01 
1.84 -5.291223229e-01 
1.86 -5.409160108e-01 
1.88 -5.926433682e-01 
1.90 -6.912422416e-01 
1.92 -8.432027516e-01 
1.94 -1.036723319e+00 
1.96 -1.252363577e+00 
1.98 -1.476108494e+00 
2.00 -1.698895064e+00 
2.02 -1.914865135e+00 
2.04 -2.120809557e+00 
2.06 -2.315685063e+00 
2.08 -2.499961799e+00 
2.10 -2.674130161e+00 
2.12 -2.838494144e+00 
2.14 -2.992598760e+00 
2.16 -3.135077284e+00 
2.18 -3.263969205e+00 
2.20 -3.376115861e+00 
2.22 -3.469420944e+00 
2.24 -3.544448081e+00 
2.26 -3.602680921e+00 
2.28 -3.645737673e+00 
2.30 -3.675383944e+00 
2.32 -3.693675270e+00 
2.34 -3.702406420e+00 
2.36 -3.703059337e+00 
2.38 -3.696830692e+00 
2.40 -3.684512128e+00 
2.42 -3.666746469e+00 
2.44 -3.644234439e+00 
2.46 -3.617709313e+00 
2.48 -3.588001924e+00 
2.50 -3.555951656e+00 
2.52 -3.521769551e+00 
2.54 -3.485219550e+00 
2.56 -3.445961379e+00 
2.58 -3.403727694e+00 
2.60 -3.358561490e+00 
2.62 -3.310637808e+00 
2.64 -3.260203478e+00 
2.66 -3.207571349e+00 
2.68 -3.152815853e+00 
2.70 -3.095797276e+00 
2.72 -3.036403988e+00 
2.74 -2.974505417e+00 
2.76 -2.909978319e+00 
2.78 -2.842782218e+00 
2.80 -2.773048862e+00 
2.82 -2.700933898e+00 
2.84 -2.626527293e+00 
2.86 -2.549781061e+00 
2.88 -2.470475199e+00 
2.90 -2.388339524e+00 
2.92 -2.303392299e+00 
2.94 -2.215788263e+00 
2.96 -2.126071187e+00 
2.98 -2.034928876e+00 
3.00 -1.943152537e+00 
3.02 -1.851670237e+00 
3.04 -1.761400639e+00 
3.06 -1.673082275e+00 
3.08 -1.587182595e+00 
3.10 -1.503989654e+00 
3.12 -1.423724827e+00 
3.14 -1.346560774e+00 
3.16 -1.272629560e+00 
3.18 -1.202025984e+00 
3.20 -1.134735084e+00 
3.22 -1.070692258e+00 
3.24 -1.009852432e+00 
3.26 -9.521892823e-01 
3.28 -8.976920208e-01 
3.30 -8.463480593e-01 
3.32 -7.981137845e-01 
3.34 -7.528815066e-01 
3.36 -7.104718160e-01 
3.38 -6.706227532e-01 
3.40 -6.330414684e-01 
3.42 -5.975426906e-01 
3.44 -5.639537062e-01 
3.46 -5.321170167e-01 
3.48 -5.019106968e-01 
3.50 -4.732557559e-01 
3.52 -4.461139679e-01 
3.54 -4.204801114e-01 
3.56 -3.963708866e-01 
3.58 -3.737657408e-01 
3.60 -3.525658784e-01 
3.62 -3.326666569e-01 
3.64 -3.139689731e-01 
3.66 -2.963969650e-01 
3.68 -2.798849417e-01 
3.70 -2.643695917e-01 
3.72 -2.497898029e-01 
3.74 -2.360867921e-01 
3.76 -2.232038279e-01 
3.78 -2.110863419e-01 
3.80 -1.996816413e-01 
3.82 -1.889389264e-01 
3.84 -1.788091842e-01 
3.86 -1.692468062e-01 
3.88 -1.602218815e-01 
3.90 -1.517120531e-01 
3.92 -1.436950188e-01 
3.94 -1.361482679e-01 
3.96 -1.290490205e-01 
3.98 -1.223745400e-01 
4.00 -1.161019546e-01 
4.02 -1.102084633e-01 
4.04 -1.046711750e-01 
4.06 -9.946715257e-02 
4.08 -9.457341003e-02 
4.10 -8.996696486e-02 
4.12 -8.562454116e-02 
4.14 -8.151294036e-02 
4.16 -7.758284290e-02 
4.18 -7.378349839e-02 
4.20 -7.007133902e-02 
4.22 -6.639741180e-02 
4.24 -6.268665259e-02 
4.26 -5.888073135e-02 
4.28 -5.493797387e-02 
4.30 -5.083129497e-02 
4.32 -4.654651059e-02 
4.34 -4.208047631e-02 
4.36 -3.743961287e-02 
4.38 -3.263844392e-02 
4.40 -2.769837497e-02 
4.42 -2.264655392e-02 
4.44 -1.751508821e-02 
4.46 -1.234014154e-02 
4.48 -7.161773275e-03 
4.50 -2.023226728e-03 
4.52  3.028760243e-03 
4.54  7.944142890e-03 
4.56  1.267575921e-02 
4.58  1.717629778e-02 
4.60  2.139748436e-02 
4.62  2.529077959e-02 
4.64  2.880918339e-02 
4.66  3.190964967e-02 
4.68  3.455596467e-02 
4.70  3.672205124e-02 
4.72  3.839481450e-02 
4.74  3.957597845e-02 
4.76  4.028300166e-02 
4.78  4.055900073e-02 
4.80  4.046202069e-02 
4.82  4.003789185e-02 
4.84  3.933321013e-02 
4.86  3.839536831e-02 
4.88  3.726927527e-02 
4.90  3.599573907e-02 
4.92  3.460986730e-02 
4.94  3.314100810e-02 
4.96  3.161249263e-02 
4.98  3.004245390e-02 
5.00  2.844448197e-02 
5.02  2.682844823e-02 
5.04  2.520240669e-02 
5.06  2.358305528e-02 
5.08  2.199187130e-02 
5.10  2.044861035e-02 
5.12  1.897103402e-02 
5.14  1.757448888e-02 
5.16  1.627175306e-02 
5.18  1.507254062e-02 
5.20  1.398328671e-02 
5.22  1.300643276e-02 
5.24  1.213916813e-02 
5.26  1.137471125e-02 
5.28  1.070266972e-02 
5.30  1.010909256e-02 
5.32  9.576930488e-03 
5.34  9.086746848e-03 
5.36  8.617986905e-03 
5.38  8.150547513e-03 
5.40  7.666623630e-03 
5.42  7.152583440e-03 
5.44  6.600583760e-03 
5.46  6.009826230e-03 
5.48  5.387116903e-03 
5.50  4.746745093e-03 
5.52  4.109652262e-03 
5.54  3.495393579e-03 
5.56  2.912076801e-03 
5.58  2.367790397e-03 
5.60  1.871067310e-03 
5.62  1.429535757e-03 
5.64  1.048843304e-03 
5.66  7.321807184e-04 
5.68  4.798189071e-04 
5.70  2.891687350e-04 
5.72  1.548948408e-04 
5.74  6.928360372e-05 
5.76  2.263377368e-05 
5.78  3.651446176e-06 
5.80  6.675689656e-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