# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Oh-Y-Sung-S-Jang-J-i-et-al--W-H
# implementation = 2024--Oh-Y--W-H--LAMMPS--ipr1
# composition = HW2
# 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 2026-08-31

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  8.719023401e+02 
0.84  8.030715586e+02 
0.86  7.394387170e+02 
0.88  6.806290220e+02 
0.90  6.262922764e+02 
0.92  5.761017178e+02 
0.94  5.297528110e+02 
0.96  4.869620226e+02 
0.98  4.474656027e+02 
1.00  4.110183896e+02 
1.02  3.773926484e+02 
1.04  3.463769536e+02 
1.06  3.177751195e+02 
1.08  2.914051832e+02 
1.10  2.670984397e+02 
1.12  2.446985320e+02 
1.14  2.240605937e+02 
1.16  2.050504434e+02 
1.18  1.875438304e+02 
1.20  1.714257279e+02 
1.22  1.565896728e+02 
1.24  1.429371494e+02 
1.26  1.303770151e+02 
1.28  1.188249647e+02 
1.30  1.082030322e+02 
1.32  9.843912714e+01 
1.34  8.946660336e+01 
1.36  8.122385862e+01 
1.38  7.365396223e+01 
1.40  6.670430951e+01 
1.42  6.032630107e+01 
1.44  5.447504505e+01 
1.46  4.910908104e+01 
1.48  4.419012388e+01 
1.50  3.968282618e+01 
1.52  3.555455818e+01 
1.54  3.177520367e+01 
1.56  2.831697085e+01 
1.58  2.515421715e+01 
1.60  2.226328690e+01 
1.62  1.962236103e+01 
1.64  1.721131781e+01 
1.66  1.501160396e+01 
1.68  1.300611566e+01 
1.70  1.117908898e+01 
1.72  9.515997995e+00 
1.74  8.003460064e+00 
1.76  6.629148129e+00 
1.78  5.381709466e+00 
1.80  4.250690473e+00 
1.82  3.226467036e+00 
1.84  2.300180067e+00 
1.86  1.463675845e+00 
1.88  7.094507804e-01 
1.90  3.060029559e-02 
1.92 -5.792285045e-01 
1.94 -1.125880636e+00 
1.96 -1.614733784e+00 
1.98 -2.050735828e+00 
2.00 -2.438439575e+00 
2.02 -2.782034887e+00 
2.04 -3.085377271e+00 
2.06 -3.352001461e+00 
2.08 -3.585132316e+00 
2.10 -3.787708727e+00 
2.12 -3.962408257e+00 
2.14 -4.111670839e+00 
2.16 -4.237674903e+00 
2.18 -4.342139318e+00 
2.20 -4.426785357e+00 
2.22 -4.493213839e+00 
2.24 -4.542880834e+00 
2.26 -4.577115746e+00 
2.28 -4.597138823e+00 
2.30 -4.604078200e+00 
2.32 -4.598986526e+00 
2.34 -4.582857253e+00 
2.36 -4.556640602e+00 
2.38 -4.521259258e+00 
2.40 -4.477623769e+00 
2.42 -4.426647660e+00 
2.44 -4.369262225e+00 
2.46 -4.306430955e+00 
2.48 -4.239163553e+00 
2.50 -4.168529465e+00 
2.52 -4.095670864e+00 
2.54 -4.021815003e+00 
2.56 -3.948285857e+00 
2.58 -3.876514961e+00 
2.60 -3.808051384e+00 
2.62 -3.744570718e+00 
2.64 -3.687330158e+00 
2.66 -3.630806181e+00 
2.68 -3.573252572e+00 
2.70 -3.514862953e+00 
2.72 -3.455813313e+00 
2.74 -3.396263484e+00 
2.76 -3.336358495e+00 
2.78 -3.276229816e+00 
2.80 -3.215996502e+00 
2.82 -3.155766240e+00 
2.84 -3.095636308e+00 
2.86 -3.035694459e+00 
2.88 -2.976018068e+00 
2.90 -2.916661745e+00 
2.92 -2.857649130e+00 
2.94 -2.798975382e+00 
2.96 -2.740610342e+00 
2.98 -2.682501645e+00 
3.00 -2.624577753e+00 
3.02 -2.566750910e+00 
3.04 -2.508920028e+00 
3.06 -2.450973502e+00 
3.08 -2.392791978e+00 
3.10 -2.334251090e+00 
3.12 -2.275224168e+00 
3.14 -2.215584951e+00 
3.16 -2.155210316e+00 
3.18 -2.093983042e+00 
3.20 -2.031794613e+00 
3.22 -1.968548096e+00 
3.24 -1.904161082e+00 
3.26 -1.838568717e+00 
3.28 -1.771726820e+00 
3.30 -1.703615102e+00 
3.32 -1.634240320e+00 
3.34 -1.563637927e+00 
3.36 -1.491873965e+00 
3.38 -1.419048777e+00 
3.40 -1.345301001e+00 
3.42 -1.270811675e+00 
3.44 -1.195808448e+00 
3.46 -1.120569899e+00 
3.48 -1.045429962e+00 
3.50 -9.707824761e-01 
3.52 -8.970858704e-01 
3.54 -8.248680318e-01 
3.56 -7.547314044e-01 
3.58 -6.873584121e-01 
3.60 -6.235173256e-01 
3.62 -5.640687160e-01 
3.64 -5.099725858e-01 
3.66 -4.622959123e-01 
3.68 -4.222190835e-01 
3.70 -3.910362571e-01 
3.72 -3.701384282e-01 
3.74 -3.568616868e-01 
3.76 -3.435256053e-01 
3.78 -3.298920613e-01 
3.80 -3.159600447e-01 
3.82 -3.017329938e-01 
3.84 -2.872192266e-01 
3.86 -2.724323713e-01 
3.88 -2.573917961e-01 
3.90 -2.421230365e-01 
3.92 -2.266582173e-01 
3.94 -2.110364693e-01 
3.96 -1.953043373e-01 
3.98 -1.795161800e-01 
4.00 -1.637345591e-01 
4.02 -1.480306182e-01 
4.04 -1.324844513e-01 
4.06 -1.171854620e-01 
4.08 -1.022327165e-01 
4.10 -8.773529552e-02 
4.12 -7.381265550e-02 
4.14 -6.059501020e-02 
4.16 -4.822376372e-02 
4.18 -3.685203476e-02 
4.20 -2.664535437e-02 
4.22 -1.778269389e-02 
4.24 -1.045816512e-02 
4.26 -4.884263871e-03 
4.28 -1.299559117e-03 
4.30 -8.002044685e-26 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
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