# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Chen-Y-Fang-J-Liao-X-et-al--W-Ta-He
# implementation = 2021--Chen-Y--W-Ta-He--LAMMPS--ipr1
# composition = TaW2
# 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 2022-12-14

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  4.865036664e+03 
0.90  4.396184804e+03 
0.92  3.981105905e+03 
0.94  3.612818287e+03 
0.96  3.285269914e+03 
0.98  2.993189001e+03 
1.00  2.731794364e+03 
1.02  2.455671486e+03 
1.04  2.211775922e+03 
1.06  1.996845767e+03 
1.08  1.806472446e+03 
1.10  1.637411046e+03 
1.12  1.487099590e+03 
1.14  1.353314049e+03 
1.16  1.234081102e+03 
1.18  1.127624384e+03 
1.20  1.032369401e+03 
1.22  9.469291232e+02 
1.24  8.705188220e+02 
1.26  8.016355702e+02 
1.28  7.392147649e+02 
1.30  6.824336484e+02 
1.32  6.305438502e+02 
1.34  5.830017860e+02 
1.36  5.394178459e+02 
1.38  4.994371416e+02 
1.40  4.626568491e+02 
1.42  4.286905708e+02 
1.44  3.972128073e+02 
1.46  3.679606005e+02 
1.48  3.407047890e+02 
1.50  3.152696155e+02 
1.52  2.915189033e+02 
1.54  2.693330136e+02 
1.56  2.486078668e+02 
1.58  2.292533616e+02 
1.60  2.111942468e+02 
1.62  1.943557067e+02 
1.64  1.786555098e+02 
1.66  1.640182670e+02 
1.68  1.503741327e+02 
1.70  1.376510163e+02 
1.72  1.257731781e+02 
1.74  1.147317898e+02 
1.76  1.044792133e+02 
1.78  9.487150514e+01 
1.80  8.586648653e+01 
1.82  7.744352391e+01 
1.84  6.959864173e+01 
1.86  6.229793220e+01 
1.88  5.551074497e+01 
1.90  4.920882038e+01 
1.92  4.336724547e+01 
1.94  3.796846962e+01 
1.96  3.301195721e+01 
1.98  2.847766306e+01 
2.00  2.434162028e+01 
2.02  2.073608550e+01 
2.04  1.744856370e+01 
2.06  1.445886386e+01 
2.08  1.174781597e+01 
2.10  9.297582940e+00 
2.12  7.094371969e+00 
2.14  5.124746463e+00 
2.16  3.374790546e+00 
2.18  1.830221325e+00 
2.20  4.783177262e-01 
2.22 -6.933819295e-01 
2.24 -1.697751105e+00 
2.26 -2.547327429e+00 
2.28 -3.258196907e+00 
2.30 -3.850585870e+00 
2.32 -4.344170985e+00 
2.34 -4.757662761e+00 
2.36 -5.107805242e+00 
2.38 -5.407871383e+00 
2.40 -5.669502643e+00 
2.42 -5.902756108e+00 
2.44 -6.115621979e+00 
2.46 -6.313865964e+00 
2.48 -6.501272318e+00 
2.50 -6.680020547e+00 
2.52 -6.850228785e+00 
2.54 -7.008252397e+00 
2.56 -7.149591248e+00 
2.58 -7.269710345e+00 
2.60 -7.364326917e+00 
2.62 -7.430750338e+00 
2.64 -7.471465162e+00 
2.66 -7.490207971e+00 
2.68 -7.490666870e+00 
2.70 -7.476493318e+00 
2.72 -7.450858872e+00 
2.74 -7.415085717e+00 
2.76 -7.370000151e+00 
2.78 -7.316429824e+00 
2.80 -7.255526043e+00 
2.82 -7.188628392e+00 
2.84 -7.116517855e+00 
2.86 -7.039786093e+00 
2.88 -6.958994130e+00 
2.90 -6.874722206e+00 
2.92 -6.787591128e+00 
2.94 -6.698203691e+00 
2.96 -6.607105346e+00 
2.98 -6.514610270e+00 
3.00 -6.420907589e+00 
3.02 -6.326121879e+00 
3.04 -6.230220647e+00 
3.06 -6.133110380e+00 
3.08 -6.034664640e+00 
3.10 -5.934715163e+00 
3.12 -5.833107457e+00 
3.14 -5.729831370e+00 
3.16 -5.624820275e+00 
3.18 -5.517995522e+00 
3.20 -5.409286251e+00 
3.22 -5.298706817e+00 
3.24 -5.186569727e+00 
3.26 -5.073235363e+00 
3.28 -4.959066621e+00 
3.30 -4.844427320e+00 
3.32 -4.729662433e+00 
3.34 -4.615111640e+00 
3.36 -4.501116936e+00 
3.38 -4.388018299e+00 
3.40 -4.276153502e+00 
3.42 -4.165812727e+00 
3.44 -4.057103205e+00 
3.46 -3.950090413e+00 
3.48 -3.844840533e+00 
3.50 -3.741400611e+00 
3.52 -3.639807068e+00 
3.54 -3.540092856e+00 
3.56 -3.442287872e+00 
3.58 -3.346437719e+00 
3.60 -3.252607753e+00 
3.62 -3.160839918e+00 
3.64 -3.071079393e+00 
3.66 -2.983274646e+00 
3.68 -2.897448382e+00 
3.70 -2.813635160e+00 
3.72 -2.731855540e+00 
3.74 -2.652075913e+00 
3.76 -2.574248518e+00 
3.78 -2.498324701e+00 
3.80 -2.424254814e+00 
3.82 -2.351980674e+00 
3.84 -2.281414386e+00 
3.86 -2.212460653e+00 
3.88 -2.145022700e+00 
3.90 -2.079001926e+00 
3.92 -2.014317237e+00 
3.94 -1.950940434e+00 
3.96 -1.888859897e+00 
3.98 -1.828074041e+00 
4.00 -1.768592092e+00 
4.02 -1.710412516e+00 
4.04 -1.653464676e+00 
4.06 -1.597659782e+00 
4.08 -1.542908704e+00 
4.10 -1.489121755e+00 
4.12 -1.436210672e+00 
4.14 -1.384094476e+00 
4.16 -1.332693859e+00 
4.18 -1.281927575e+00 
4.20 -1.231709250e+00 
4.22 -1.181967952e+00 
4.24 -1.132702030e+00 
4.26 -1.083912921e+00 
4.28 -1.035639527e+00 
4.30 -9.878920314e-01 
4.32 -9.407385616e-01 
4.34 -8.941421527e-01 
4.36 -8.482501019e-01 
4.38 -8.024059992e-01 
4.40 -7.570113274e-01 
4.42 -7.138632746e-01 
4.44 -6.744296571e-01 
4.46 -6.375849667e-01 
4.48 -5.987819934e-01 
4.50 -5.556813633e-01 
4.52 -5.090190514e-01 
4.54 -4.601458874e-01 
4.56 -4.093940468e-01 
4.58 -3.569487171e-01 
4.60 -3.036353333e-01 
4.62 -2.506744180e-01 
4.64 -2.009031363e-01 
4.66 -1.565349292e-01 
4.68 -1.184862217e-01 
4.70 -8.686634850e-02 
4.72 -6.131877643e-02 
4.74 -4.124853768e-02 
4.76 -2.596500608e-02 
4.78 -1.476389129e-02 
4.80 -6.967594816e-03 
4.82 -1.938506443e-03 
4.84  9.238592404e-04 
4.86  2.190906505e-03 
4.88  2.415582659e-03 
4.90  2.141849426e-03 
4.92  1.820080309e-03 
4.94  1.537214487e-03 
4.96  1.289417471e-03 
4.98  1.072854778e-03 
5.00  8.836919205e-04 
5.02  7.184718945e-04 
5.04  5.752466300e-04 
5.06  4.524450473e-04 
5.08  3.484960660e-04 
5.10  2.618286059e-04 
5.12  1.908715866e-04 
5.14  1.340539278e-04 
5.16  8.980454933e-05 
5.18  5.655237074e-05 
5.20  3.272631175e-05 
5.22  1.675529206e-05 
5.24  7.068231349e-06 
5.26  2.094049309e-06 
5.28  2.616656296e-07 
5.30 -2.947501053e-13 
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