# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2008--Zhou-X-W-Zimmerman-J-A-Wong-B-M-Hoyt-J-J--Pd-H
# implementation = 2008--Zhou-X-W--Pd-H--LAMMPS--ipr1
# composition = H2Pd
# 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  1.988270946e+02 
0.88  1.809070401e+02 
0.90  1.647246397e+02 
0.92  1.500883518e+02 
0.94  1.368463890e+02 
0.96  1.248042291e+02 
0.98  1.138224268e+02 
1.00  1.037495070e+02 
1.02  9.465358116e+01 
1.04  8.629701143e+01 
1.06  7.865150490e+01 
1.08  7.173011852e+01 
1.10  6.534314597e+01 
1.12  5.946306636e+01 
1.14  5.409102189e+01 
1.16  4.907934326e+01 
1.18  4.440422027e+01 
1.20  4.016209163e+01 
1.22  3.635344127e+01 
1.24  3.283247916e+01 
1.26  2.952685961e+01 
1.28  2.648224158e+01 
1.30  2.373055582e+01 
1.32  2.121574789e+01 
1.34  1.889263427e+01 
1.36  1.672055595e+01 
1.38  1.470163293e+01 
1.40  1.285395983e+01 
1.42  1.121889142e+01 
1.44  9.772200811e+00 
1.46  8.474989777e+00 
1.48  7.289466342e+00 
1.50  6.182309779e+00 
1.52  5.151316719e+00 
1.54  4.224615770e+00 
1.56  3.415705549e+00 
1.58  2.707695891e+00 
1.60  2.067687657e+00 
1.62  1.489138359e+00 
1.64  9.647215043e-01 
1.66  4.904049395e-01 
1.68  6.260010708e-02 
1.70 -3.272067857e-01 
1.72 -6.865319924e-01 
1.74 -1.009238537e+00 
1.76 -1.290295330e+00 
1.78 -1.528973708e+00 
1.80 -1.733918260e+00 
1.82 -1.914486032e+00 
1.84 -2.071691587e+00 
1.86 -2.206650193e+00 
1.88 -2.322152748e+00 
1.90 -2.424157849e+00 
1.92 -2.509043533e+00 
1.94 -2.579684121e+00 
1.96 -2.637502184e+00 
1.98 -2.682372575e+00 
2.00 -2.714288040e+00 
2.02 -2.735345609e+00 
2.04 -2.748401262e+00 
2.06 -2.754089957e+00 
2.08 -2.752593887e+00 
2.10 -2.742721974e+00 
2.12 -2.724920807e+00 
2.14 -2.700775996e+00 
2.16 -2.671434773e+00 
2.18 -2.637312479e+00 
2.20 -2.598593288e+00 
2.22 -2.555057169e+00 
2.24 -2.507324721e+00 
2.26 -2.456235932e+00 
2.28 -2.402777647e+00 
2.30 -2.348114741e+00 
2.32 -2.293405604e+00 
2.34 -2.236719352e+00 
2.36 -2.178276007e+00 
2.38 -2.118354489e+00 
2.40 -2.057222764e+00 
2.42 -1.995138974e+00 
2.44 -1.932199600e+00 
2.46 -1.868089104e+00 
2.48 -1.803274009e+00 
2.50 -1.738321162e+00 
2.52 -1.673756088e+00 
2.54 -1.609601716e+00 
2.56 -1.545348422e+00 
2.58 -1.481609709e+00 
2.60 -1.418907517e+00 
2.62 -1.357554652e+00 
2.64 -1.298056025e+00 
2.66 -1.238218693e+00 
2.68 -1.177407696e+00 
2.70 -1.116421368e+00 
2.72 -1.056731612e+00 
2.74 -9.999896428e-01 
2.76 -9.474176808e-01 
2.78 -8.996252134e-01 
2.80 -8.563921872e-01 
2.82 -8.153298333e-01 
2.84 -7.757490885e-01 
2.86 -7.376674724e-01 
2.88 -7.011031871e-01 
2.90 -6.660726916e-01 
2.92 -6.325877014e-01 
2.94 -6.006519751e-01 
2.96 -5.702583147e-01 
2.98 -5.413862232e-01 
3.00 -5.140006040e-01 
3.02 -4.880517713e-01 
3.04 -4.634769211e-01 
3.06 -4.402030373e-01 
3.08 -4.181509520e-01 
3.10 -3.971152613e-01 
3.12 -3.758020830e-01 
3.14 -3.541733897e-01 
3.16 -3.326854363e-01 
3.18 -3.118752658e-01 
3.20 -2.923103050e-01 
3.22 -2.745560981e-01 
3.24 -2.591750901e-01 
3.26 -2.467717801e-01 
3.28 -2.376759202e-01 
3.30 -2.287295683e-01 
3.32 -2.201241036e-01 
3.34 -2.118460084e-01 
3.36 -2.038822888e-01 
3.38 -1.962204715e-01 
3.40 -1.888486074e-01 
3.42 -1.817552408e-01 
3.44 -1.749293235e-01 
3.46 -1.683602538e-01 
3.48 -1.620378551e-01 
3.50 -1.559523374e-01 
3.52 -1.500942556e-01 
3.54 -1.444545113e-01 
3.56 -1.390243586e-01 
3.58 -1.337953873e-01 
3.60 -1.287594686e-01 
3.62 -1.239087664e-01 
3.64 -1.192357463e-01 
3.66 -1.147331558e-01 
3.68 -1.103940369e-01 
3.70 -1.062116944e-01 
3.72 -1.021796785e-01 
3.74 -9.829182290e-02 
3.76 -9.454223848e-02 
3.78 -9.092529350e-02 
3.80 -8.743562310e-02 
3.82 -8.406812737e-02 
3.84 -8.081794629e-02 
3.86 -7.768047127e-02 
3.88 -7.465136660e-02 
3.90 -7.172654689e-02 
3.92 -6.890215666e-02 
3.94 -6.617457090e-02 
3.96 -6.354040447e-02 
3.98 -6.099647176e-02 
4.00 -5.853977886e-02 
4.02 -5.616752045e-02 
4.04 -5.387709608e-02 
4.06 -5.166605169e-02 
4.08 -4.953206254e-02 
4.10 -4.747292143e-02 
4.12 -4.548656123e-02 
4.14 -4.357099361e-02 
4.16 -4.172428558e-02 
4.18 -3.994454950e-02 
4.20 -3.822994445e-02 
4.22 -3.657870187e-02 
4.24 -3.498903751e-02 
4.26 -3.345915500e-02 
4.28 -3.198724107e-02 
4.30 -3.057146955e-02 
4.32 -2.921006571e-02 
4.34 -2.790120345e-02 
4.36 -2.664246977e-02 
4.38 -2.540780044e-02 
4.40 -2.389119737e-02 
4.42 -2.204665052e-02 
4.44 -1.995548989e-02 
4.46 -1.770829411e-02 
4.48 -1.540032516e-02 
4.50 -1.312550766e-02 
4.52 -1.097133930e-02 
4.54 -9.013948478e-03 
4.56 -7.313710321e-03 
4.58 -5.913433879e-03 
4.60 -4.837211960e-03 
4.62 -4.090471207e-03 
4.64 -3.644086764e-03 
4.66 -3.266563379e-03 
4.68 -2.835050628e-03 
4.70 -2.351811992e-03 
4.72 -1.832515591e-03 
4.74 -1.293575710e-03 
4.76 -7.515309509e-04 
4.78 -2.223061664e-04 
4.80  2.794441249e-04 
4.82  7.408874252e-04 
4.84  1.151444487e-03 
4.86  1.502107539e-03 
4.88  1.787219883e-03 
4.90  2.005287948e-03 
4.92  2.157250678e-03 
4.94  2.246375746e-03 
4.96  2.283373735e-03 
4.98  2.306350587e-03 
5.00  2.322388018e-03 
5.02  2.332411896e-03 
5.04  2.337525876e-03 
5.06  2.324251808e-03 
5.08  2.213791219e-03 
5.10  2.002996757e-03 
5.12  1.704306271e-03 
5.14  1.331118926e-03 
5.16  9.032976428e-04 
5.18  4.436352502e-04 
5.20 -2.396360192e-05 
5.22 -4.765713901e-04 
5.24 -8.941444558e-04 
5.26 -1.260820230e-03 
5.28 -1.565355806e-03 
5.30 -1.800666148e-03 
5.32 -1.962583219e-03 
5.34 -2.047968802e-03 
5.36 -2.060858476e-03 
5.38 -2.060858476e-03 
5.40 -2.060858476e-03 
5.42 -2.060858476e-03 
5.44 -2.060858476e-03 
5.46 -2.060858476e-03 
5.48 -2.060858476e-03 
5.50 -2.060858476e-03 
5.52 -2.060858476e-03 
5.54 -2.060858476e-03 
5.56 -2.060858476e-03 
5.58 -2.060858476e-03 
5.60 -2.060858476e-03 
5.62 -2.060858476e-03 
5.64 -2.060858476e-03 
5.66 -2.060858476e-03 
5.68 -2.060858476e-03 
5.70 -2.060858476e-03 
5.72 -2.060858476e-03 
5.74 -2.060858476e-03 
5.76 -2.060858476e-03 
5.78 -2.060858476e-03 
5.80 -2.060858476e-03 
5.82 -2.060858476e-03 
5.84 -2.060858476e-03 
5.86 -2.060858476e-03 
5.88 -2.060858476e-03 
5.90 -2.060858476e-03 
5.92 -2.060858476e-03 
5.94 -2.060858476e-03 
5.96 -2.060858476e-03 
5.98 -2.060858476e-03 
6.00 -2.060858476e-03