# 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 = Au2Ta
# 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  4.869275761e+02 
1.16  4.507840569e+02 
1.18  4.175008374e+02 
1.20  3.868228696e+02 
1.22  3.585124298e+02 
1.24  3.323553759e+02 
1.26  3.081647164e+02 
1.28  2.857792545e+02 
1.30  2.650576838e+02 
1.32  2.458709838e+02 
1.34  2.280969219e+02 
1.36  2.116186390e+02 
1.38  1.963262085e+02 
1.40  1.821186128e+02 
1.42  1.689047903e+02 
1.44  1.566038760e+02 
1.46  1.451448068e+02 
1.48  1.344653174e+02 
1.50  1.245106477e+02 
1.52  1.152321635e+02 
1.54  1.065856923e+02 
1.56  9.852962778e+01 
1.58  9.102344723e+01 
1.60  8.402725008e+01 
1.62  7.750224561e+01 
1.64  7.141160906e+01 
1.66  6.572117875e+01 
1.68  6.039979935e+01 
1.70  5.542050104e+01 
1.72  5.076378423e+01 
1.74  4.642753555e+01 
1.76  4.240382706e+01 
1.78  3.867002846e+01 
1.80  3.520514233e+01 
1.82  3.198947676e+01 
1.84  2.900459578e+01 
1.86  2.623348344e+01 
1.88  2.366076772e+01 
1.90  2.127286274e+01 
1.92  1.905794938e+01 
1.94  1.700577176e+01 
1.96  1.510727873e+01 
1.98  1.335418752e+01 
2.00  1.173856875e+01 
2.02  1.025253479e+01 
2.04  8.888073207e+00 
2.06  7.637028736e+00 
2.08  6.491207506e+00 
2.10  5.442553983e+00 
2.12  4.483341848e+00 
2.14  3.606329075e+00 
2.16  2.804850376e+00 
2.18  2.072844442e+00 
2.20  1.404829495e+00 
2.22  7.958459419e-01 
2.24  2.413822935e-01 
2.26 -2.627043157e-01 
2.28 -7.202646877e-01 
2.30 -1.134923245e+00 
2.32 -1.510124724e+00 
2.34 -1.849155577e+00 
2.36 -2.154977895e+00 
2.38 -2.430584637e+00 
2.40 -2.678967112e+00 
2.42 -2.902784904e+00 
2.44 -3.104354100e+00 
2.46 -3.285663424e+00 
2.48 -3.448315487e+00 
2.50 -3.593280851e+00 
2.52 -3.721419818e+00 
2.54 -3.833640795e+00 
2.56 -3.930886839e+00 
2.58 -4.014125360e+00 
2.60 -4.084336334e+00 
2.62 -4.142495729e+00 
2.64 -4.189553942e+00 
2.66 -4.226412578e+00 
2.68 -4.253905059e+00 
2.70 -4.272785736e+00 
2.72 -4.283799065e+00 
2.74 -4.287669402e+00 
2.76 -4.284770093e+00 
2.78 -4.275448640e+00 
2.80 -4.260051090e+00 
2.82 -4.238923885e+00 
2.84 -4.212413978e+00 
2.86 -4.180867802e+00 
2.88 -4.144629900e+00 
2.90 -4.104035187e+00 
2.92 -4.059402384e+00 
2.94 -4.011049795e+00 
2.96 -3.959299093e+00 
2.98 -3.904477230e+00 
3.00 -3.846918029e+00 
3.02 -3.786962283e+00 
3.04 -3.724955222e+00 
3.06 -3.661240701e+00 
3.08 -3.596152311e+00 
3.10 -3.530002739e+00 
3.12 -3.463073334e+00 
3.14 -3.395606018e+00 
3.16 -3.327798966e+00 
3.18 -3.259806495e+00 
3.20 -3.191742517e+00 
3.22 -3.123686353e+00 
3.24 -3.055689558e+00 
3.26 -2.987782682e+00 
3.28 -2.919981274e+00 
3.30 -2.852290816e+00 
3.32 -2.784710527e+00 
3.34 -2.717236111e+00 
3.36 -2.649861591e+00 
3.38 -2.582580355e+00 
3.40 -2.515385569e+00 
3.42 -2.448270108e+00 
3.44 -2.381226160e+00 
3.46 -2.314244720e+00 
3.48 -2.247315136e+00 
3.50 -2.180424943e+00 
3.52 -2.113560144e+00 
3.54 -2.046706102e+00 
3.56 -1.979849136e+00 
3.58 -1.912978893e+00 
3.60 -1.846091449e+00 
3.62 -1.779193071e+00 
3.64 -1.712304455e+00 
3.66 -1.645465169e+00 
3.68 -1.578737959e+00 
3.70 -1.512212477e+00 
3.72 -1.446007958e+00 
3.74 -1.380274345e+00 
3.76 -1.315191448e+00 
3.78 -1.250965827e+00 
3.80 -1.187825312e+00 
3.82 -1.126011321e+00 
3.84 -1.065769438e+00 
3.86 -1.007338941e+00 
3.88 -9.509421647e-01 
3.90 -8.967746406e-01 
3.92 -8.449968683e-01 
3.94 -7.957283933e-01 
3.96 -7.490445615e-01 
3.98 -7.049760378e-01 
4.00 -6.635108583e-01 
4.02 -6.245985810e-01 
4.04 -5.881559636e-01 
4.06 -5.540735612e-01 
4.08 -5.222226735e-01 
4.10 -4.924621646e-01 
4.12 -4.646448047e-01 
4.14 -4.386228634e-01 
4.16 -4.142528465e-01 
4.18 -3.913992788e-01 
4.20 -3.699375257e-01 
4.22 -3.497556606e-01 
4.24 -3.307554081e-01 
4.26 -3.128522081e-01 
4.28 -2.959744755e-01 
4.30 -2.800621638e-01 
4.32 -2.650647873e-01 
4.34 -2.509391013e-01 
4.36 -2.376466715e-01 
4.38 -2.251515682e-01 
4.40 -2.134183955e-01 
4.42 -2.024108088e-01 
4.44 -1.920905967e-01 
4.46 -1.824173175e-01 
4.48 -1.733484266e-01 
4.50 -1.648397644e-01 
4.52 -1.568459854e-01 
4.54 -1.493215616e-01 
4.56 -1.422225626e-01 
4.58 -1.355062258e-01 
4.60 -1.291316005e-01 
4.62 -1.230600689e-01 
4.64 -1.172557057e-01 
4.66 -1.116855088e-01 
4.68 -1.063195367e-01 
4.70 -1.011309880e-01 
4.72 -9.609625073e-02 
4.74 -9.119494371e-02 
4.76 -8.640996374e-02 
4.78 -8.172754255e-02 
4.80 -7.713730796e-02 
4.82 -7.263234468e-02 
4.84 -6.820921310e-02 
4.86 -6.386792994e-02 
4.88 -5.961185984e-02 
4.90 -5.544750059e-02 
4.92 -5.138413954e-02 
4.94 -4.743337105e-02 
4.96 -4.360847981e-02 
4.98 -3.992371203e-02 
5.00 -3.639347360e-02 
5.02 -3.303150931e-02 
5.04 -2.985011876e-02 
5.06 -2.685947365e-02 
5.08 -2.406709212e-02 
5.10 -2.147749496e-02 
5.12 -1.909206934e-02 
5.14 -1.690911713e-02 
5.16 -1.492407318e-02 
5.18 -1.312986060e-02 
5.20 -1.151731327e-02 
5.22 -1.007544410e-02 
5.24 -8.792538623e-03 
5.26 -7.656293901e-03 
5.28 -6.654104079e-03 
5.30 -5.773429834e-03 
5.32 -5.002090259e-03 
5.34 -4.328480133e-03 
5.36 -3.741719780e-03 
5.38 -3.231747192e-03 
5.40 -2.789362890e-03 
5.42 -2.406237823e-03 
5.44 -2.074893695e-03 
5.46 -1.788663838e-03 
5.48 -1.541641330e-03 
5.50 -1.328619729e-03 
5.52 -1.145030487e-03 
5.54 -9.868800807e-04 
5.56 -8.506889819e-04 
5.58 -7.334338640e-04 
5.60 -6.324939207e-04 
5.62 -5.456017352e-04 
5.64 -4.707988473e-04 
5.66 -4.063959535e-04 
5.68 -3.509375388e-04 
5.70 -3.031706496e-04 
5.72 -2.620174716e-04 
5.74 -2.265513582e-04 
5.76 -1.959759523e-04 
5.78 -1.696070602e-04 
5.80 -1.468569562e-04 
5.82 -1.272208212e-04 
5.84 -1.102650458e-04 
5.86 -9.561715781e-05 
5.88 -8.295715785e-05 
5.90 -7.201007430e-05 
5.92 -6.253957075e-05 
5.94 -5.434246049e-05 
5.96 -4.724400151e-05 
5.98 -4.109386225e-05 
6.00 -3.576266339e-05