# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta
# implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1
# composition = Ta2Ti
# 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 2025-12-17

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  5.881750450e+02 
0.98  5.190646459e+02 
1.00  4.597154078e+02 
1.02  4.099373956e+02 
1.04  3.683758292e+02 
1.06  3.315314934e+02 
1.08  2.968450090e+02 
1.10  2.647751503e+02 
1.12  2.352806738e+02 
1.14  2.084953022e+02 
1.16  1.841036953e+02 
1.18  1.622939118e+02 
1.20  1.435521038e+02 
1.22  1.275896269e+02 
1.24  1.138795429e+02 
1.26  1.025941977e+02 
1.28  9.402934700e+01 
1.30  8.680210526e+01 
1.32  7.998850059e+01 
1.34  7.366105857e+01 
1.36  6.798909481e+01 
1.38  6.279297013e+01 
1.40  5.781953283e+01 
1.42  5.285874642e+01 
1.44  4.812346435e+01 
1.46  4.375246476e+01 
1.48  3.977456693e+01 
1.50  3.622133675e+01 
1.52  3.308867899e+01 
1.54  3.021640405e+01 
1.56  2.747852597e+01 
1.58  2.484885952e+01 
1.60  2.238574144e+01 
1.62  2.016578979e+01 
1.64  1.820241023e+01 
1.66  1.642916076e+01 
1.68  1.477010315e+01 
1.70  1.316567935e+01 
1.72  1.160679634e+01 
1.74  1.017600648e+01 
1.76  8.915106343e+00 
1.78  7.786226739e+00 
1.80  6.752738221e+00 
1.82  5.806740602e+00 
1.84  4.953243851e+00 
1.86  4.188410744e+00 
1.88  3.544807628e+00 
1.90  2.979598508e+00 
1.92  2.448331586e+00 
1.94  1.925737003e+00 
1.96  1.431561561e+00 
1.98  1.018343081e+00 
2.00  6.791948572e-01 
2.02  4.191771144e-01 
2.04  2.446758897e-02 
2.06 -3.841263528e-01 
2.08 -7.832361564e-01 
2.10 -1.147992016e+00 
2.12 -1.451383871e+00 
2.14 -1.687103623e+00 
2.16 -1.888330696e+00 
2.18 -2.275023274e+00 
2.20 -2.729789677e+00 
2.22 -3.149770860e+00 
2.24 -3.529570917e+00 
2.26 -3.863014943e+00 
2.28 -4.136757171e+00 
2.30 -4.388353450e+00 
2.32 -4.601456557e+00 
2.34 -4.775632967e+00 
2.36 -4.921797675e+00 
2.38 -5.046512658e+00 
2.40 -5.167781830e+00 
2.42 -5.305625410e+00 
2.44 -5.460801848e+00 
2.46 -5.633394675e+00 
2.48 -5.775632432e+00 
2.50 -5.907564541e+00 
2.52 -6.043375380e+00 
2.54 -6.164108400e+00 
2.56 -6.257895842e+00 
2.58 -6.327060970e+00 
2.60 -6.376412752e+00 
2.62 -6.402877590e+00 
2.64 -6.404516538e+00 
2.66 -6.390910989e+00 
2.68 -6.366139005e+00 
2.70 -6.341270082e+00 
2.72 -6.318560580e+00 
2.74 -6.295768166e+00 
2.76 -6.270051425e+00 
2.78 -6.240902555e+00 
2.80 -6.208889069e+00 
2.82 -6.181278697e+00 
2.84 -6.157778381e+00 
2.86 -6.132891322e+00 
2.88 -6.108634115e+00 
2.90 -6.081790531e+00 
2.92 -6.047578133e+00 
2.94 -6.004296747e+00 
2.96 -5.950776866e+00 
2.98 -5.887368037e+00 
3.00 -5.820201546e+00 
3.02 -5.755538350e+00 
3.04 -5.698772159e+00 
3.06 -5.647292604e+00 
3.08 -5.595191936e+00 
3.10 -5.539118648e+00 
3.12 -5.475993262e+00 
3.14 -5.408495413e+00 
3.16 -5.340796422e+00 
3.18 -5.272955858e+00 
3.20 -5.205560688e+00 
3.22 -5.140148092e+00 
3.24 -5.078850393e+00 
3.26 -5.016305476e+00 
3.28 -4.948758983e+00 
3.30 -4.877191437e+00 
3.32 -4.802629733e+00 
3.34 -4.725232379e+00 
3.36 -4.644647742e+00 
3.38 -4.560087856e+00 
3.40 -4.470041882e+00 
3.42 -4.371686962e+00 
3.44 -4.262484616e+00 
3.46 -4.141139036e+00 
3.48 -4.007972911e+00 
3.50 -3.871913671e+00 
3.52 -3.744911080e+00 
3.54 -3.611015575e+00 
3.56 -3.441362698e+00 
3.58 -3.247085323e+00 
3.60 -3.066676855e+00 
3.62 -2.920155294e+00 
3.64 -2.796989307e+00 
3.66 -2.685029871e+00 
3.68 -2.578038986e+00 
3.70 -2.478052625e+00 
3.72 -2.386429007e+00 
3.74 -2.306274365e+00 
3.76 -2.242254231e+00 
3.78 -2.196112135e+00 
3.80 -2.170689353e+00 
3.82 -2.152941028e+00 
3.84 -2.135281938e+00 
3.86 -2.116696691e+00 
3.88 -2.096505589e+00 
3.90 -2.074810525e+00 
3.92 -2.051825770e+00 
3.94 -2.027748687e+00 
3.96 -2.002729880e+00 
3.98 -1.976890289e+00 
4.00 -1.950057218e+00 
4.02 -1.921670503e+00 
4.04 -1.891116238e+00 
4.06 -1.857940440e+00 
4.08 -1.822708436e+00 
4.10 -1.786782947e+00 
4.12 -1.751274420e+00 
4.14 -1.716065556e+00 
4.16 -1.681102864e+00 
4.18 -1.647204375e+00 
4.20 -1.616832070e+00 
4.22 -1.591056535e+00 
4.24 -1.569366002e+00 
4.26 -1.550648471e+00 
4.28 -1.533317948e+00 
4.30 -1.515646168e+00 
4.32 -1.495993229e+00 
4.34 -1.473072837e+00 
4.36 -1.447216023e+00 
4.38 -1.419355215e+00 
4.40 -1.390655123e+00 
4.42 -1.362401348e+00 
4.44 -1.335952196e+00 
4.46 -1.311967221e+00 
4.48 -1.289383865e+00 
4.50 -1.267185947e+00 
4.52 -1.244339653e+00 
4.54 -1.219772786e+00 
4.56 -1.192397130e+00 
4.58 -1.161825524e+00 
4.60 -1.128848935e+00 
4.62 -1.094377838e+00 
4.64 -1.059337676e+00 
4.66 -1.024668751e+00 
4.68 -9.912963488e-01 
4.70 -9.598699247e-01 
4.72 -9.307558298e-01 
4.74 -9.042513740e-01 
4.76 -8.804108464e-01 
4.78 -8.592174300e-01 
4.80 -8.406201296e-01 
4.82 -8.241582256e-01 
4.84 -8.091288665e-01 
4.86 -7.948301696e-01 
4.88 -7.805795503e-01 
4.90 -7.657208261e-01 
4.92 -7.496778185e-01 
4.94 -7.323481850e-01 
4.96 -7.137770931e-01 
4.98 -6.939670909e-01 
5.00 -6.728785697e-01 
5.02 -6.508577613e-01 
5.04 -6.285257949e-01 
5.06 -6.060485896e-01 
5.08 -5.835867481e-01 
5.10 -5.614327290e-01 
5.12 -5.400263838e-01 
5.14 -5.197983486e-01 
5.16 -5.003257972e-01 
5.18 -4.809790435e-01 
5.20 -4.610821548e-01 
5.22 -4.398955380e-01 
5.24 -4.166281194e-01 
5.26 -3.904554429e-01 
5.28 -3.614226274e-01 
5.30 -3.311061371e-01 
5.32 -3.013158654e-01 
5.34 -2.739034345e-01 
5.36 -2.507564859e-01 
5.38 -2.324003310e-01 
5.40 -2.150708945e-01 
5.42 -1.986729638e-01 
5.44 -1.833722333e-01 
5.46 -1.693130879e-01 
5.48 -1.566301779e-01 
5.50 -1.454490938e-01 
5.52 -1.358877022e-01 
5.54 -1.280316289e-01 
5.56 -1.216608142e-01 
5.58 -1.163600977e-01 
5.60 -1.117109834e-01 
5.62 -1.072948687e-01 
5.64 -1.026922062e-01 
5.66 -9.748575264e-02 
5.68 -9.140753331e-02 
5.70 -8.483526081e-02 
5.72 -7.832857869e-02 
5.74 -7.244578518e-02 
5.76 -6.774110115e-02 
5.78 -6.476345911e-02 
5.80 -6.405279237e-02 
5.82 -6.576767523e-02 
5.84 -6.933571236e-02 
5.86 -7.410467316e-02 
5.88 -7.942826186e-02 
5.90 -8.466750857e-02 
5.92 -8.919037376e-02 
5.94 -9.238204510e-02 
5.96 -9.387656192e-02 
5.98 -9.351752478e-02 
6.00 -9.114202681e-02