# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = FeTi2
# 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 2024-04-11

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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  2.970101289e+02 
1.16  2.725646267e+02 
1.18  2.501704774e+02 
1.20  2.296399124e+02 
1.22  2.108041227e+02 
1.24  1.935122839e+02 
1.26  1.776298479e+02 
1.28  1.630362311e+02 
1.30  1.496217130e+02 
1.32  1.372848693e+02 
1.34  1.259318846e+02 
1.36  1.154772243e+02 
1.38  1.058440917e+02 
1.40  9.696388020e+01 
1.42  8.877512603e+01 
1.44  8.122284219e+01 
1.46  7.425815032e+01 
1.48  6.783749046e+01 
1.50  6.192131152e+01 
1.52  5.647275017e+01 
1.54  5.145679126e+01 
1.56  4.684007260e+01 
1.58  4.259107378e+01 
1.60  3.868033844e+01 
1.62  3.508061667e+01 
1.64  3.176712295e+01 
1.66  2.871747456e+01 
1.68  2.591036907e+01 
1.70  2.332600090e+01 
1.72  2.094606721e+01 
1.74  1.875388370e+01 
1.76  1.673445681e+01 
1.78  1.487435515e+01 
1.80  1.316148193e+01 
1.82  1.158487586e+01 
1.84  1.013455816e+01 
1.86  8.801388762e+00 
1.88  7.576911043e+00 
1.90  6.453202823e+00 
1.92  5.422758860e+00 
1.94  4.478427645e+00 
1.96  3.613410264e+00 
1.98  2.821299632e+00 
2.00  2.096114854e+00 
2.02  1.432302993e+00 
2.04  8.247239703e-01 
2.06  2.686539230e-01 
2.08 -2.401796819e-01 
2.10 -7.055565273e-01 
2.12 -1.130759844e+00 
2.14 -1.518633487e+00 
2.16 -1.871684917e+00 
2.18 -2.192200782e+00 
2.20 -2.482346656e+00 
2.22 -2.744237923e+00 
2.24 -2.979974630e+00 
2.26 -3.191638025e+00 
2.28 -3.381254237e+00 
2.30 -3.550740196e+00 
2.32 -3.701856003e+00 
2.34 -3.836177349e+00 
2.36 -3.955094194e+00 
2.38 -4.059829854e+00 
2.40 -4.151485375e+00 
2.42 -4.231209681e+00 
2.44 -4.299794191e+00 
2.46 -4.357932567e+00 
2.48 -4.406332798e+00 
2.50 -4.445711045e+00 
2.52 -4.476780497e+00 
2.54 -4.500236414e+00 
2.56 -4.516625230e+00 
2.58 -4.526162015e+00 
2.60 -4.529056613e+00 
2.62 -4.525559202e+00 
2.64 -4.515944773e+00 
2.66 -4.500502016e+00 
2.68 -4.479525421e+00 
2.70 -4.453308659e+00 
2.72 -4.422142535e+00 
2.74 -4.386299929e+00 
2.76 -4.346036847e+00 
2.78 -4.301594566e+00 
2.80 -4.253201580e+00 
2.82 -4.201077832e+00 
2.84 -4.145442613e+00 
2.86 -4.086523085e+00 
2.88 -4.024561627e+00 
2.90 -3.959774166e+00 
2.92 -3.892305819e+00 
2.94 -3.822325653e+00 
2.96 -3.750030441e+00 
2.98 -3.675634486e+00 
3.00 -3.599362359e+00 
3.02 -3.521444391e+00 
3.04 -3.442113140e+00 
3.06 -3.361600034e+00 
3.08 -3.280129771e+00 
3.10 -3.197916637e+00 
3.12 -3.115162190e+00 
3.14 -3.032056744e+00 
3.16 -2.948783611e+00 
3.18 -2.865525707e+00 
3.20 -2.782471817e+00 
3.22 -2.699821085e+00 
3.24 -2.617784463e+00 
3.26 -2.536582658e+00 
3.28 -2.456440768e+00 
3.30 -2.377580384e+00 
3.32 -2.300210326e+00 
3.34 -2.224517435e+00 
3.36 -2.150658814e+00 
3.38 -2.078756742e+00 
3.40 -2.008896966e+00 
3.42 -1.941130893e+00 
3.44 -1.875480638e+00 
3.46 -1.811946986e+00 
3.48 -1.750518176e+00 
3.50 -1.691178210e+00 
3.52 -1.633913009e+00 
3.54 -1.578713172e+00 
3.56 -1.525572822e+00 
3.58 -1.474485031e+00 
3.60 -1.425435278e+00 
3.62 -1.378394961e+00 
3.64 -1.333316855e+00 
3.66 -1.290133681e+00 
3.68 -1.248759950e+00 
3.70 -1.209096310e+00 
3.72 -1.171035215e+00 
3.74 -1.134466684e+00 
3.76 -1.099283286e+00 
3.78 -1.065383860e+00 
3.80 -1.032675891e+00 
3.82 -1.001076676e+00 
3.84 -9.705135444e-01 
3.86 -9.409234154e-01 
3.88 -9.122519376e-01 
3.90 -8.844524206e-01 
3.92 -8.574846278e-01 
3.94 -8.313139679e-01 
3.96 -8.059100189e-01 
3.98 -7.812459735e-01 
4.00 -7.572978045e-01 
4.02 -7.340436517e-01 
4.04 -7.114633329e-01 
4.06 -6.895379613e-01 
4.08 -6.682496526e-01 
4.10 -6.475812112e-01 
4.12 -6.275163637e-01 
4.14 -6.080390161e-01 
4.16 -5.891336088e-01 
4.18 -5.707849387e-01 
4.20 -5.529781161e-01 
4.22 -5.356985337e-01 
4.24 -5.189318435e-01 
4.26 -5.026639399e-01 
4.28 -4.868809447e-01 
4.30 -4.715691953e-01 
4.32 -4.567152322e-01 
4.34 -4.423057872e-01 
4.36 -4.283277707e-01 
4.38 -4.147682578e-01 
4.40 -4.016144735e-01 
4.42 -3.888537766e-01 
4.44 -3.764736414e-01 
4.46 -3.644616395e-01 
4.48 -3.528054190e-01 
4.50 -3.414926844e-01 
4.52 -3.305111750e-01 
4.54 -3.198486446e-01 
4.56 -3.094928421e-01 
4.58 -2.994314952e-01 
4.60 -2.896522986e-01 
4.62 -2.801429088e-01 
4.64 -2.708909487e-01 
4.66 -2.618840258e-01 
4.68 -2.531097669e-01 
4.70 -2.445558760e-01 
4.72 -2.362102197e-01 
4.74 -2.280609456e-01 
4.76 -2.200966396e-01 
4.78 -2.123065255e-01 
4.80 -2.046805987e-01 
4.82 -1.972103741e-01 
4.84 -1.898884815e-01 
4.86 -1.827095114e-01 
4.88 -1.756702139e-01 
4.90 -1.687697934e-01 
4.92 -1.620101213e-01 
4.94 -1.553958238e-01 
4.96 -1.489341984e-01 
4.98 -1.426349284e-01 
5.00 -1.365095815e-01 
5.02 -1.305709060e-01 
5.04 -1.248319691e-01 
5.06 -1.193052136e-01 
5.08 -1.140013631e-01 
5.10 -1.089285431e-01 
5.12 -1.040925106e-01 
5.14 -9.949558398e-02 
5.16 -9.513648584e-02 
5.18 -9.101050053e-02 
5.20 -8.710984338e-02 
5.22 -8.342417563e-02 
5.24 -7.994119424e-02 
5.26 -7.664723263e-02 
5.28 -7.352782177e-02 
5.30 -7.056817832e-02 
5.32 -6.775360253e-02 
5.34 -6.506978236e-02 
5.36 -6.250301019e-02 
5.38 -6.004032457e-02 
5.40 -5.766959247e-02 
5.42 -5.537954793e-02 
5.44 -5.315980239e-02 
5.46 -5.100083976e-02 
5.48 -4.889400732e-02 
5.50 -4.683151111e-02 
5.52 -4.480642198e-02 
5.54 -4.281269645e-02 
5.56 -4.084521390e-02 
5.58 -3.889982946e-02 
5.60 -3.697343942e-02 
5.62 -3.506405345e-02 
5.64 -3.317086533e-02 
5.66 -3.129431171e-02 
5.68 -2.943610675e-02 
5.70 -2.759923956e-02 
5.72 -2.578792253e-02 
5.74 -2.400748082e-02 
5.76 -2.226417795e-02 
5.78 -2.056497916e-02 
5.80 -1.891725829e-02 
5.82 -1.732846747e-02 
5.84 -1.580578999e-02 
5.86 -1.435580131e-02 
5.88 -1.298416471e-02 
5.90 -1.169538491e-02 
5.92 -1.049252509e-02 
5.94 -9.377080909e-03 
5.96 -8.349577967e-03 
5.98 -7.409162092e-03 
6.00 -6.553708222e-03