# 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 = CrTi2
# 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  3.565996566e+02 
0.92  3.303074617e+02 
0.94  3.067378967e+02 
0.96  2.854740882e+02 
0.98  2.657205081e+02 
1.00  2.472623990e+02 
1.02  2.302455918e+02 
1.04  2.145257090e+02 
1.06  1.997409353e+02 
1.08  1.857460043e+02 
1.10  1.725892991e+02 
1.12  1.604957947e+02 
1.14  1.497600068e+02 
1.16  1.403174057e+02 
1.18  1.317397402e+02 
1.20  1.236955955e+02 
1.22  1.159419291e+02 
1.24  1.083680604e+02 
1.26  1.011260039e+02 
1.28  9.451976922e+01 
1.30  8.852180631e+01 
1.32  8.277531573e+01 
1.34  7.702890792e+01 
1.36  7.125782906e+01 
1.38  6.551039556e+01 
1.40  5.982385345e+01 
1.42  5.421001987e+01 
1.44  4.862977664e+01 
1.46  4.307834488e+01 
1.48  3.766344352e+01 
1.50  3.253960361e+01 
1.52  2.781639854e+01 
1.54  2.351486498e+01 
1.56  1.963007998e+01 
1.58  1.616489441e+01 
1.60  1.308872843e+01 
1.62  1.036057943e+01 
1.64  8.012032281e+00 
1.66  6.140621399e+00 
1.68  4.819346875e+00 
1.70  4.019894808e+00 
1.72  3.652019000e+00 
1.74  3.616418349e+00 
1.76  3.802142653e+00 
1.78  4.098779823e+00 
1.80  4.408552375e+00 
1.82  4.649443603e+00 
1.84  4.767496013e+00 
1.86  4.754027274e+00 
1.88  4.643240808e+00 
1.90  4.487257225e+00 
1.92  4.328336461e+00 
1.94  4.180766281e+00 
1.96  4.102359687e+00 
1.98  3.920203912e+00 
2.00  3.507975916e+00 
2.02  2.915992083e+00 
2.04  2.210066271e+00 
2.06  1.464299387e+00 
2.08  7.446814069e-01 
2.10  1.016472623e-01 
2.12 -4.332090453e-01 
2.14 -8.545616487e-01 
2.16 -1.207959839e+00 
2.18 -1.520281134e+00 
2.20 -1.791214089e+00 
2.22 -2.025559740e+00 
2.24 -2.232680421e+00 
2.26 -2.425301430e+00 
2.28 -2.616090135e+00 
2.30 -2.805906660e+00 
2.32 -2.989770255e+00 
2.34 -3.163283411e+00 
2.36 -3.322923436e+00 
2.38 -3.466443525e+00 
2.40 -3.592508784e+00 
2.42 -3.701044585e+00 
2.44 -3.792867584e+00 
2.46 -3.869212507e+00 
2.48 -3.931977085e+00 
2.50 -3.983208180e+00 
2.52 -4.024200643e+00 
2.54 -4.055834570e+00 
2.56 -4.078979684e+00 
2.58 -4.094478150e+00 
2.60 -4.103225836e+00 
2.62 -4.105990221e+00 
2.64 -4.103156355e+00 
2.66 -4.095020575e+00 
2.68 -4.081856828e+00 
2.70 -4.063929754e+00 
2.72 -4.041522355e+00 
2.74 -4.014868262e+00 
2.76 -3.984114443e+00 
2.78 -3.949522210e+00 
2.80 -3.911407960e+00 
2.82 -3.870125361e+00 
2.84 -3.826059214e+00 
2.86 -3.779307466e+00 
2.88 -3.729699255e+00 
2.90 -3.677134370e+00 
2.92 -3.621716445e+00 
2.94 -3.563596318e+00 
2.96 -3.502944661e+00 
2.98 -3.440016866e+00 
3.00 -3.375162683e+00 
3.02 -3.308802178e+00 
3.04 -3.241392106e+00 
3.06 -3.173355390e+00 
3.08 -3.104961000e+00 
3.10 -3.036353847e+00 
3.12 -2.967662101e+00 
3.14 -2.899010717e+00 
3.16 -2.830535409e+00 
3.18 -2.762404255e+00 
3.20 -2.694807872e+00 
3.22 -2.627681890e+00 
3.24 -2.560589541e+00 
3.26 -2.493075768e+00 
3.28 -2.424897156e+00 
3.30 -2.356050423e+00 
3.32 -2.286743780e+00 
3.34 -2.217310890e+00 
3.36 -2.148085804e+00 
3.38 -2.079282927e+00 
3.40 -2.010941525e+00 
3.42 -1.942953329e+00 
3.44 -1.875085059e+00 
3.46 -1.807053857e+00 
3.48 -1.738627312e+00 
3.50 -1.669769973e+00 
3.52 -1.600591499e+00 
3.54 -1.531299058e+00 
3.56 -1.462185820e+00 
3.58 -1.393591760e+00 
3.60 -1.325841409e+00 
3.62 -1.259322412e+00 
3.64 -1.194453283e+00 
3.66 -1.131628356e+00 
3.68 -1.071225890e+00 
3.70 -1.013603958e+00 
3.72 -9.589852139e-01 
3.74 -9.074224387e-01 
3.76 -8.589224758e-01 
3.78 -8.134594383e-01 
3.80 -7.709768012e-01 
3.82 -7.313895596e-01 
3.84 -6.945866286e-01 
3.86 -6.604369744e-01 
3.88 -6.288234126e-01 
3.90 -5.996288459e-01 
3.92 -5.727198669e-01 
3.94 -5.479482521e-01 
3.96 -5.251516779e-01 
3.98 -5.041554614e-01 
4.00 -4.847734123e-01 
4.02 -4.668163015e-01 
4.04 -4.501055060e-01 
4.06 -4.344584575e-01 
4.08 -4.197221030e-01 
4.10 -4.057823272e-01 
4.12 -3.925228006e-01 
4.14 -3.798227140e-01 
4.16 -3.675576240e-01 
4.18 -3.556002308e-01 
4.20 -3.438253352e-01 
4.22 -3.321311547e-01 
4.24 -3.204227021e-01 
4.26 -3.086042200e-01 
4.28 -2.965736502e-01 
4.30 -2.842053314e-01 
4.32 -2.713687943e-01 
4.34 -2.579381988e-01 
4.36 -2.438378457e-01 
4.38 -2.290017583e-01 
4.40 -2.134520849e-01 
4.42 -1.972873741e-01 
4.44 -1.806466674e-01 
4.46 -1.636859880e-01 
4.48 -1.465648358e-01 
4.50 -1.294385403e-01 
4.52 -1.124750827e-01 
4.54 -9.589502726e-02 
4.56 -7.995152841e-02 
4.58 -6.492886872e-02 
4.60 -5.111849711e-02 
4.62 -3.878059706e-02 
4.64 -2.810094605e-02 
4.66 -1.915465450e-02 
4.68 -1.188819999e-02 
4.70 -6.132657109e-03 
4.72 -1.647520594e-03 
4.74  1.832646192e-03 
4.76  4.546840789e-03 
4.78  6.685561254e-03 
4.80  8.403795927e-03 
4.82  9.796586030e-03 
4.84  1.091242892e-02 
4.86  1.177610122e-02 
4.88  1.240687631e-02 
4.90  1.282900122e-02 
4.92  1.307474327e-02 
4.94  1.318297979e-02 
4.96  1.319536481e-02 
4.98  1.315241566e-02 
5.00  1.309050410e-02 
5.02  1.303613934e-02 
5.04  1.299044678e-02 
5.06  1.294256327e-02 
5.08  1.288328380e-02 
5.10  1.280465452e-02 
5.12  1.270002888e-02 
5.14  1.256373321e-02 
5.16  1.239123457e-02 
5.18  1.217880125e-02 
5.20  1.192351499e-02 
5.22  1.162559590e-02 
5.24  1.128883372e-02 
5.26  1.091577340e-02 
5.28  1.050831508e-02 
5.30  1.006752724e-02 
5.32  9.594191996e-03 
5.34  9.088861413e-03 
5.36  8.552126479e-03 
5.38  7.985063662e-03 
5.40  7.389711798e-03 
5.42  6.769461811e-03 
5.44  6.129621284e-03 
5.46  5.477904258e-03 
5.48  4.824570611e-03 
5.50  4.182565167e-03 
5.52  3.567535672e-03 
5.54  2.993119642e-03 
5.56  2.463522470e-03 
5.58  1.982279943e-03 
5.60  1.552875636e-03 
5.62  1.178312030e-03 
5.64  8.601624628e-04 
5.66  5.986166046e-04 
5.68  3.919280266e-04 
5.70  2.366233693e-04 
5.72  1.274498840e-04 
5.74  5.769241498e-05 
5.76  1.929571583e-05 
5.78  3.298004625e-06 
5.80  4.091551725e-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