# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al
# implementation = 1996--Farkas-D--Nb-Ti-Al--LAMMPS--ipr1
# composition = NbTi2
# 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  nan             
0.80  nan             
0.82  nan             
0.84  nan             
0.86  nan             
0.88  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96 -3.750343752e+02 
0.98 -3.463384875e+02 
1.00 -3.198013891e+02 
1.02 -2.952450896e+02 
1.04 -2.725635560e+02 
1.06 -2.514919419e+02 
1.08 -2.319850057e+02 
1.10 -2.136106662e+02 
1.12 -1.966657376e+02 
1.14 -1.808446070e+02 
1.16 -1.660525936e+02 
1.18 -1.524089907e+02 
1.20 -1.395965133e+02 
1.22 -1.276134441e+02 
1.24 -1.164650355e+02 
1.26 -1.059753426e+02 
1.28 -9.606212772e+01 
1.30 -8.669299292e+01 
1.32 -7.798124620e+01 
1.34 -6.979955726e+01 
1.36 -6.210624497e+01 
1.38 -5.487501539e+01 
1.40 -4.805622747e+01 
1.42 -4.170861471e+01 
1.44 -3.571333333e+01 
1.46 -3.001571294e+01 
1.48 -2.459889538e+01 
1.50 -1.945031438e+01 
1.52 -1.457348454e+01 
1.54 -9.997001165e+00 
1.56 -5.795970907e+00 
1.58 -1.834780400e+00 
1.60  1.869642546e+00 
1.62  5.369560332e+00 
1.64  8.684364494e+00 
1.66  1.182408266e+01 
1.68  1.479667039e+01 
1.70  1.760933919e+01 
1.72  2.014585802e+01 
1.74  2.258614147e+01 
1.76  2.188753437e+01 
1.78  1.983650994e+01 
1.80  1.794346444e+01 
1.82  1.618145451e+01 
1.84  1.453556927e+01 
1.86  1.299577290e+01 
1.88  1.155434534e+01 
1.90  1.020311540e+01 
1.92  8.935748838e+00 
1.94  7.749067186e+00 
1.96  6.553556034e+00 
1.98  5.474659582e+00 
2.00  4.477222765e+00 
2.02  3.554769219e+00 
2.04  2.701735324e+00 
2.06  1.913753323e+00 
2.08  1.186473336e+00 
2.10  5.162524388e-01 
2.12 -9.945590530e-02 
2.14 -6.626400697e-01 
2.16 -1.174931381e+00 
2.18 -1.638103649e+00 
2.20 -2.053903004e+00 
2.22 -2.425857730e+00 
2.24 -2.759412776e+00 
2.26 -3.056488718e+00 
2.28 -3.318850701e+00 
2.30 -3.548018231e+00 
2.32 -3.745297982e+00 
2.34 -3.981999766e+00 
2.36 -4.145963845e+00 
2.38 -4.282822837e+00 
2.40 -4.401524927e+00 
2.42 -4.504086786e+00 
2.44 -4.592001706e+00 
2.46 -4.666254809e+00 
2.48 -4.727515382e+00 
2.50 -4.776358891e+00 
2.52 -4.813330967e+00 
2.54 -4.839157182e+00 
2.56 -4.854871438e+00 
2.58 -4.862033358e+00 
2.60 -4.862616711e+00 
2.62 -4.858546628e+00 
2.64 -4.851136241e+00 
2.66 -4.841107484e+00 
2.68 -4.828916958e+00 
2.70 -4.814795728e+00 
2.72 -4.798915695e+00 
2.74 -4.781458128e+00 
2.76 -4.762629091e+00 
2.78 -4.741946060e+00 
2.80 -4.719644221e+00 
2.82 -4.696227998e+00 
2.84 -4.672172346e+00 
2.86 -4.647928732e+00 
2.88 -4.623874710e+00 
2.90 -4.600364527e+00 
2.92 -4.577734919e+00 
2.94 -4.556313250e+00 
2.96 -4.536412768e+00 
2.98 -4.518338759e+00 
3.00 -4.502348337e+00 
3.02 -4.488463084e+00 
3.04 -4.476605487e+00 
3.06 -4.517940572e+00 
3.08 -4.533243430e+00 
3.10 -4.545859161e+00 
3.12 -4.555806692e+00 
3.14 -4.563101267e+00 
3.16 -4.567765701e+00 
3.18 -4.569892325e+00 
3.20 -4.569579181e+00 
3.22 -4.566913759e+00 
3.24 -4.561976693e+00 
3.26 -4.554842924e+00 
3.28 -4.545589675e+00 
3.30 -4.534310026e+00 
3.32 -4.521099755e+00 
3.34 -4.506048917e+00 
3.36 -4.489247713e+00 
3.38 -4.470788998e+00 
3.40 -4.450761716e+00 
3.42 -4.429257747e+00 
3.44 -4.406364390e+00 
3.46 -4.382167165e+00 
3.48 -4.356740130e+00 
3.50 -4.330141895e+00 
3.52 -4.302428110e+00 
3.54 -4.273654770e+00 
3.56 -4.243875054e+00 
3.58 -4.213139355e+00 
3.60 -4.181495663e+00 
3.62 -4.148781783e+00 
3.64 -4.114839803e+00 
3.66 -4.079708411e+00 
3.68 -4.043422171e+00 
3.70 -4.006022908e+00 
3.72 -3.967571688e+00 
3.74 -3.927065185e+00 
3.76 -3.881653692e+00 
3.78 -3.831633773e+00 
3.80 -3.777522749e+00 
3.82 -3.719876312e+00 
3.84 -3.659246173e+00 
3.86 -3.596170505e+00 
3.88 -3.531091864e+00 
3.90 -3.464326085e+00 
3.92 -3.396168064e+00 
3.94 -3.326895538e+00 
3.96 -3.256769482e+00 
3.98 -3.186036883e+00 
4.00 -3.114927599e+00 
4.02 -3.043660900e+00 
4.04 -2.972439535e+00 
4.06 -2.901454883e+00 
4.08 -2.830885613e+00 
4.10 -2.760897278e+00 
4.12 -2.691645685e+00 
4.14 -2.623274736e+00 
4.16 -2.555916258e+00 
4.18 -2.489696957e+00 
4.20 -2.424729307e+00 
4.22 -2.361119062e+00 
4.24 -2.298947364e+00 
4.26 -2.238250393e+00 
4.28 -2.179055740e+00 
4.30 -2.121381112e+00 
4.32 -2.065227768e+00 
4.34 -2.010593932e+00 
4.36 -1.957478021e+00 
4.38 -1.905929022e+00 
4.40 -1.856009462e+00 
4.42 -1.807777556e+00 
4.44 -1.761233203e+00 
4.46 -1.716359842e+00 
4.48 -1.673104289e+00 
4.50 -1.631489689e+00 
4.52 -1.590404851e+00 
4.54 -1.549443644e+00 
4.56 -1.509285493e+00 
4.58 -1.470014417e+00 
4.60 -1.431704043e+00 
4.62 -1.394050416e+00 
4.64 -1.356763884e+00 
4.66 -1.319639814e+00 
4.68 -1.282193050e+00 
4.70 -1.244337001e+00 
4.72 -1.206433874e+00 
4.74 -1.168748850e+00 
4.76 -1.131506752e+00 
4.78 -1.095559104e+00 
4.80 -1.061666762e+00 
4.82 -1.029737117e+00 
4.84 -9.997749210e-01 
4.86 -9.719510604e-01 
4.88 -9.463256238e-01 
4.90 -9.220762457e-01 
4.92 -8.979534905e-01 
4.94 -8.729587319e-01 
4.96 -8.466003539e-01 
4.98 -8.189914046e-01 
5.00 -7.894551743e-01 
5.02 -7.574385674e-01 
5.04 -7.225471228e-01 
5.06 -6.847519337e-01 
5.08 -6.448476687e-01 
5.10 -6.035998667e-01 
5.12 -5.616474920e-01 
5.14 -5.195228429e-01 
5.16 -4.776629404e-01 
5.18 -4.361744182e-01 
5.20 -3.952313216e-01 
5.22 -3.552678543e-01 
5.24 -3.166351572e-01 
5.26 -2.796193034e-01 
5.28 -2.444617136e-01 
5.30 -2.113697050e-01 
5.32 -1.804679572e-01 
5.34 -1.515543799e-01 
5.36 -1.245813456e-01 
5.38 -9.953872789e-02 
5.40 -7.643325623e-02 
5.42 -5.528202113e-02 
5.44 -3.610382603e-02 
5.46 -1.891596414e-02 
5.48 -3.731111959e-03 
5.50  9.343858949e-03 
5.52  2.030515562e-02 
5.54  2.940773523e-02 
5.56  3.689789141e-02 
5.58  4.300909015e-02 
5.60  4.796237811e-02 
5.62  5.196431795e-02 
5.64  5.520614393e-02 
5.66  5.786260981e-02 
5.68  6.008993984e-02 
5.70  6.176173864e-02 
5.72  6.250938056e-02 
5.74  6.251704913e-02 
5.76  6.196389829e-02 
5.78  6.100697618e-02 
5.80  5.978072709e-02 
5.82  5.839751874e-02 
5.84  5.694842133e-02 
5.86  3.826921457e-02 
5.88  3.259819926e-02 
5.90  2.740334396e-02 
5.92  2.270431264e-02 
5.94  1.850811263e-02 
5.96  1.481118013e-02 
5.98  1.160133755e-02 
6.00  8.859549606e-03