# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse
# implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1
# composition = Ag2H
# 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 2022-05-24

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  1.145252038e+02 
0.94  1.059187316e+02 
0.96  9.811503083e+01 
0.98  9.100268191e+01 
1.00  8.448068469e+01 
1.02  7.852269967e+01 
1.04  7.307804891e+01 
1.06  6.810777748e+01 
1.08  6.361330768e+01 
1.10  5.946973029e+01 
1.12  5.557288192e+01 
1.14  5.195671492e+01 
1.16  4.868261088e+01 
1.18  4.567674634e+01 
1.20  4.285850047e+01 
1.22  4.020926998e+01 
1.24  3.776112710e+01 
1.26  3.552842314e+01 
1.28  3.346979111e+01 
1.30  3.154363083e+01 
1.32  2.974377160e+01 
1.34  2.808469607e+01 
1.36  2.656810592e+01 
1.38  2.517701070e+01 
1.40  2.388214501e+01 
1.42  2.258833487e+01 
1.44  2.123608739e+01 
1.46  1.984588635e+01 
1.48  1.846413910e+01 
1.50  1.710953333e+01 
1.52  1.579160164e+01 
1.54  1.452016115e+01 
1.56  1.330874243e+01 
1.58  1.217949698e+01 
1.60  1.112357674e+01 
1.62  1.012808798e+01 
1.64  9.183859212e+00 
1.66  8.289353693e+00 
1.68  7.456224788e+00 
1.70  6.681174035e+00 
1.72  5.956904342e+00 
1.74  5.279649205e+00 
1.76  4.647780079e+00 
1.78  4.060373038e+00 
1.80  3.514047309e+00 
1.82  3.004028245e+00 
1.84  2.528559330e+00 
1.86  2.088632516e+00 
1.88  1.690653931e+00 
1.90  1.327598246e+00 
1.92  9.904889893e-01 
1.94  6.719632862e-01 
1.96  3.673144173e-01 
1.98  7.678060791e-02 
2.00 -1.936334842e-01 
2.02 -4.448188324e-01 
2.04 -6.785442961e-01 
2.06 -8.945686847e-01 
2.08 -1.092562460e+00 
2.10 -1.272573977e+00 
2.12 -1.435191117e+00 
2.14 -1.581746174e+00 
2.16 -1.714085779e+00 
2.18 -1.833247240e+00 
2.20 -1.940053552e+00 
2.22 -2.035038621e+00 
2.24 -2.118768801e+00 
2.26 -2.191779972e+00 
2.28 -2.254537328e+00 
2.30 -2.307430997e+00 
2.32 -2.350781005e+00 
2.34 -2.384824537e+00 
2.36 -2.409979093e+00 
2.38 -2.426870982e+00 
2.40 -2.436270125e+00 
2.42 -2.439087030e+00 
2.44 -2.434946041e+00 
2.46 -2.419494792e+00 
2.48 -2.395066667e+00 
2.50 -2.365038409e+00 
2.52 -2.332688206e+00 
2.54 -2.300774192e+00 
2.56 -2.271215447e+00 
2.58 -2.244938249e+00 
2.60 -2.220449417e+00 
2.62 -2.194021663e+00 
2.64 -2.165701226e+00 
2.66 -2.135129060e+00 
2.68 -2.102172320e+00 
2.70 -2.067176390e+00 
2.72 -2.030635823e+00 
2.74 -1.993153009e+00 
2.76 -1.955364963e+00 
2.78 -1.917849782e+00 
2.80 -1.880981204e+00 
2.82 -1.844164541e+00 
2.84 -1.807229100e+00 
2.86 -1.770247871e+00 
2.88 -1.733269196e+00 
2.90 -1.696327040e+00 
2.92 -1.659450258e+00 
2.94 -1.622668248e+00 
2.96 -1.586012970e+00 
2.98 -1.549518742e+00 
3.00 -1.513221320e+00 
3.02 -1.477156751e+00 
3.04 -1.441358470e+00 
3.06 -1.405855928e+00 
3.08 -1.370675186e+00 
3.10 -1.335776165e+00 
3.12 -1.300571320e+00 
3.14 -1.265086322e+00 
3.16 -1.229585908e+00 
3.18 -1.194358131e+00 
3.20 -1.159680068e+00 
3.22 -1.125788622e+00 
3.24 -1.092859759e+00 
3.26 -1.060997951e+00 
3.28 -1.030224994e+00 
3.30 -1.000144823e+00 
3.32 -9.705926329e-01 
3.34 -9.416184964e-01 
3.36 -9.132835743e-01 
3.38 -8.856569706e-01 
3.40 -8.588091985e-01 
3.42 -8.328029586e-01 
3.44 -8.076831922e-01 
3.46 -7.834692182e-01 
3.48 -7.601514919e-01 
3.50 -7.376940560e-01 
3.52 -7.160416072e-01 
3.54 -6.951288105e-01 
3.56 -6.748891696e-01 
3.58 -6.552617251e-01 
3.60 -6.361949114e-01 
3.62 -6.176479570e-01 
3.64 -5.995905158e-01 
3.66 -5.820013739e-01 
3.68 -5.648667872e-01 
3.70 -5.481780050e-01 
3.72 -5.319273559e-01 
3.74 -5.161069775e-01 
3.76 -5.007088281e-01 
3.78 -4.857247253e-01 
3.80 -4.711463643e-01 
3.82 -4.569653461e-01 
3.84 -4.431731989e-01 
3.86 -4.297614089e-01 
3.88 -4.167214216e-01 
3.90 -4.040446754e-01 
3.92 -3.917226059e-01 
3.94 -3.797466731e-01 
3.96 -3.681083561e-01 
3.98 -3.567991758e-01 
4.00 -3.458107046e-01 
4.02 -3.351345644e-01 
4.04 -3.247624504e-01 
4.06 -3.146861175e-01 
4.08 -3.048973895e-01 
4.10 -2.953881787e-01 
4.12 -2.861504656e-01 
4.14 -2.771763051e-01 
4.16 -2.684578433e-01 
4.18 -2.599872959e-01 
4.20 -2.517569459e-01 
4.22 -2.437591573e-01 
4.24 -2.359863734e-01 
4.26 -2.284310927e-01 
4.28 -2.210858705e-01 
4.30 -2.139433293e-01 
4.32 -2.069961648e-01 
4.34 -2.002371151e-01 
4.36 -1.936589715e-01 
4.38 -1.872545858e-01 
4.40 -1.810169009e-01 
4.42 -1.749389602e-01 
4.44 -1.690139005e-01 
4.46 -1.632350061e-01 
4.48 -1.575957607e-01 
4.50 -1.520899187e-01 
4.52 -1.467116367e-01 
4.54 -1.414555548e-01 
4.56 -1.363169126e-01 
4.58 -1.312917638e-01 
4.60 -1.263771904e-01 
4.62 -1.215715443e-01 
4.64 -1.168744574e-01 
4.66 -1.121913409e-01 
4.68 -1.069758390e-01 
4.70 -1.012338413e-01 
4.72 -9.509446858e-02 
4.74 -8.870363958e-02 
4.76 -8.221679737e-02 
4.78 -7.579145339e-02 
4.80 -6.957984532e-02 
4.82 -6.372204139e-02 
4.84 -5.833983909e-02 
4.86 -5.353178480e-02 
4.88 -4.936940816e-02 
4.90 -4.589569929e-02 
4.92 -4.312461299e-02 
4.94 -4.104193057e-02 
4.96 -3.954783943e-02 
4.98 -3.823631593e-02 
5.00 -3.702904386e-02 
5.02 -3.591050309e-02 
5.04 -3.486597777e-02 
5.06 -3.379349510e-02 
5.08 -3.217088562e-02 
5.10 -2.997744532e-02 
5.12 -2.730682232e-02 
5.14 -2.427222319e-02 
5.16 -2.100060258e-02 
5.18 -1.762634319e-02 
5.20 -1.428428825e-02 
5.22 -1.110231351e-02 
5.24 -8.195184787e-03 
5.26 -5.659512361e-03 
5.28 -3.570330056e-03 
5.30 -1.979151317e-03 
5.32 -9.133730474e-04 
5.34 -3.767815403e-04 
5.36 -2.901903149e-04 
5.38 -2.667129033e-04 
5.40 -2.441953405e-04 
5.42 -2.224506777e-04 
5.44 -2.014712298e-04 
5.46 -1.812736470e-04 
5.48 -1.618979718e-04 
5.50 -1.434053385e-04 
5.52 -1.258739708e-04 
5.54 -1.093933128e-04 
5.56 -9.405642401e-05 
5.58 -7.995114187e-05 
5.60 -6.715086864e-05 
5.62 -5.570609265e-05 
5.64 -4.563780129e-05 
5.66 -3.693370035e-05 
5.68 -2.954773411e-05 
5.70 -2.340285572e-05 
5.72 -1.839645852e-05 
5.74 -1.440754607e-05 
5.76 -1.130458677e-05 
5.78 -8.953079172e-06 
5.80 -7.222104663e-06 
5.82 -5.989439970e-06 
5.84 -5.145097104e-06 
5.86 -4.593380540e-06 
5.88 -4.253684795e-06 
5.90 -4.060331154e-06 
5.92 -3.961737408e-06 
5.94 -3.919175450e-06 
5.96 -3.905331330e-06 
5.98 -3.902780222e-06 
6.00 -3.902733333e-06