# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C
# implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1
# composition = AlTi2
# 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 2022-05-24

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  2.741216180e+03 
0.80  2.498131315e+03 
0.82  2.278145624e+03 
0.84  2.080433494e+03 
0.86  1.901078570e+03 
0.88  1.738940829e+03 
0.90  1.594537231e+03 
0.92  1.464343702e+03 
0.94  1.345678914e+03 
0.96  1.237695625e+03 
0.98  1.139117991e+03 
1.00  1.047001165e+03 
1.02  9.606904331e+02 
1.04  8.803047595e+02 
1.06  8.071070868e+02 
1.08  7.427342261e+02 
1.10  6.866127148e+02 
1.12  6.350495458e+02 
1.14  5.865093371e+02 
1.16  5.407280968e+02 
1.18  4.977549336e+02 
1.20  4.579132625e+02 
1.22  4.218112542e+02 
1.24  3.898547742e+02 
1.26  3.604861574e+02 
1.28  3.330695944e+02 
1.30  3.073562314e+02 
1.32  2.833037139e+02 
1.34  2.604435504e+02 
1.36  2.387542062e+02 
1.38  2.183545594e+02 
1.40  1.991867133e+02 
1.42  1.814335410e+02 
1.44  1.653744642e+02 
1.46  1.512591852e+02 
1.48  1.392907958e+02 
1.50  1.285770786e+02 
1.52  1.187489355e+02 
1.54  1.095759170e+02 
1.56  1.010279186e+02 
1.58  9.308187696e+01 
1.60  8.571472754e+01 
1.62  7.890262195e+01 
1.64  7.262022206e+01 
1.66  6.681272801e+01 
1.68  6.143619833e+01 
1.70  5.645485967e+01 
1.72  5.182930796e+01 
1.74  4.746847559e+01 
1.76  4.320514725e+01 
1.78  3.903113638e+01 
1.80  3.496563633e+01 
1.82  3.103733120e+01 
1.84  2.728550367e+01 
1.86  2.376537045e+01 
1.88  2.055195792e+01 
1.90  1.773670900e+01 
1.92  1.540867726e+01 
1.94  1.359792312e+01 
1.96  1.202285843e+01 
1.98  1.057289364e+01 
2.00  9.239076636e+00 
2.02  8.008572884e+00 
2.04  6.859393495e+00 
2.06  5.788423547e+00 
2.08  4.794373264e+00 
2.10  3.875897942e+00 
2.12  3.029684021e+00 
2.14  2.242313851e+00 
2.16  1.512108728e+00 
2.18  8.394142136e-01 
2.20  2.239030485e-01 
2.22 -3.353772648e-01 
2.24 -8.399255568e-01 
2.26 -1.291685031e+00 
2.28 -1.692928329e+00 
2.30 -2.046142381e+00 
2.32 -2.353928514e+00 
2.34 -2.618934147e+00 
2.36 -2.843828518e+00 
2.38 -3.031333091e+00 
2.40 -3.185540233e+00 
2.42 -3.309736954e+00 
2.44 -3.406385871e+00 
2.46 -3.478262268e+00 
2.48 -3.528548288e+00 
2.50 -3.564500923e+00 
2.52 -3.589236643e+00 
2.54 -3.603782026e+00 
2.56 -3.609087230e+00 
2.58 -3.606031249e+00 
2.60 -3.595426816e+00 
2.62 -3.578024985e+00 
2.64 -3.554519405e+00 
2.66 -3.525550316e+00 
2.68 -3.491708275e+00 
2.70 -3.453537633e+00 
2.72 -3.411539783e+00 
2.74 -3.366176190e+00 
2.76 -3.317871216e+00 
2.78 -3.267014759e+00 
2.80 -3.213964710e+00 
2.82 -3.159049248e+00 
2.84 -3.102554997e+00 
2.86 -3.040246080e+00 
2.88 -2.968929703e+00 
2.90 -2.889123579e+00 
2.92 -2.801408164e+00 
2.94 -2.706430688e+00 
2.96 -2.604908476e+00 
2.98 -2.497631092e+00 
3.00 -2.385460838e+00 
3.02 -2.269331230e+00 
3.04 -2.150243068e+00 
3.06 -2.029257807e+00 
3.08 -1.907487969e+00 
3.10 -1.786084451e+00 
3.12 -1.666220668e+00 
3.14 -1.549073601e+00 
3.16 -1.435802014e+00 
3.18 -1.327522278e+00 
3.20 -1.225282490e+00 
3.22 -1.130035800e+00 
3.24 -1.042614101e+00 
3.26 -9.637034246e-01 
3.28 -8.938225035e-01 
3.30 -8.333059620e-01 
3.32 -7.786359124e-01 
3.34 -7.253014913e-01 
3.36 -6.741329870e-01 
3.38 -6.232916830e-01 
3.40 -5.688038213e-01 
3.42 -5.118043938e-01 
3.44 -4.535414360e-01 
3.46 -3.952317106e-01 
3.48 -3.380367927e-01 
3.50 -2.830400483e-01 
3.52 -2.312248223e-01 
3.54 -1.834542938e-01 
3.56 -1.404536011e-01 
3.58 -1.027949493e-01 
3.60 -7.088648467e-02 
3.62 -4.496571110e-02 
3.64 -2.509813162e-02 
3.66 -1.118159301e-02 
3.68 -2.956506117e-03 
3.70 -2.172605092e-05 
3.72  0.000000000e+00 
3.74  0.000000000e+00 
3.76  0.000000000e+00 
3.78  0.000000000e+00 
3.80  0.000000000e+00 
3.82  0.000000000e+00 
3.84  0.000000000e+00 
3.86  0.000000000e+00 
3.88  0.000000000e+00 
3.90  0.000000000e+00 
3.92  0.000000000e+00 
3.94  0.000000000e+00 
3.96  0.000000000e+00 
3.98  0.000000000e+00 
4.00  0.000000000e+00 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
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