# 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-Hybrid
# implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--LAMMPS--ipr1
# composition = Ag2Pd
# 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  3.538032526e+03 
0.94  3.270715171e+03 
0.96  3.023459823e+03 
0.98  2.796016366e+03 
1.00  2.588132644e+03 
1.02  2.397508950e+03 
1.04  2.222339756e+03 
1.06  2.059960447e+03 
1.08  1.908888420e+03 
1.10  1.768013288e+03 
1.12  1.635134669e+03 
1.14  1.509209637e+03 
1.16  1.389389657e+03 
1.18  1.274596998e+03 
1.20  1.164134261e+03 
1.22  1.058139276e+03 
1.24  9.574684452e+02 
1.26  8.618381661e+02 
1.28  7.717538051e+02 
1.30  6.877289945e+02 
1.32  6.098521773e+02 
1.34  5.378167111e+02 
1.36  4.711302185e+02 
1.38  4.094010024e+02 
1.40  3.521787508e+02 
1.42  2.990187110e+02 
1.44  2.496991360e+02 
1.46  2.041717400e+02 
1.48  1.620407268e+02 
1.50  1.228958051e+02 
1.52  8.654151110e+01 
1.54  5.274238925e+01 
1.56  3.528799448e+01 
1.58  3.037182706e+01 
1.60  2.790684257e+01 
1.62  2.591567907e+01 
1.64  2.408995801e+01 
1.66  2.238582865e+01 
1.68  2.079809717e+01 
1.70  1.931725541e+01 
1.72  1.793207635e+01 
1.74  1.663179609e+01 
1.76  1.540677246e+01 
1.78  1.424238065e+01 
1.80  1.313968960e+01 
1.82  1.210348469e+01 
1.84  1.112795044e+01 
1.86  1.021029998e+01 
1.88  9.346612452e+00 
1.90  8.529020259e+00 
1.92  7.757052107e+00 
1.94  7.026378932e+00 
1.96  6.334045595e+00 
1.98  5.677493399e+00 
2.00  5.054607337e+00 
2.02  4.463727408e+00 
2.04  3.903578116e+00 
2.06  3.373093903e+00 
2.08  2.871015871e+00 
2.10  2.394922181e+00 
2.12  1.939063592e+00 
2.14  1.504573432e+00 
2.16  1.097954743e+00 
2.18  7.162155414e-01 
2.20  3.583556060e-01 
2.22  2.359861800e-02 
2.24 -2.886353545e-01 
2.26 -5.788058555e-01 
2.28 -8.473631530e-01 
2.30 -1.094973301e+00 
2.32 -1.322785172e+00 
2.34 -1.530116456e+00 
2.36 -1.717650933e+00 
2.38 -1.885921539e+00 
2.40 -2.035600341e+00 
2.42 -2.167609359e+00 
2.44 -2.283160038e+00 
2.46 -2.383584297e+00 
2.48 -2.469981220e+00 
2.50 -2.543379287e+00 
2.52 -2.604825742e+00 
2.54 -2.655320666e+00 
2.56 -2.695753831e+00 
2.58 -2.726901818e+00 
2.60 -2.749432838e+00 
2.62 -2.763915199e+00 
2.64 -2.770828162e+00 
2.66 -2.770581020e+00 
2.68 -2.763549557e+00 
2.70 -2.750144732e+00 
2.72 -2.730926227e+00 
2.74 -2.706801649e+00 
2.76 -2.679370655e+00 
2.78 -2.651495888e+00 
2.80 -2.625235763e+00 
2.82 -2.592201557e+00 
2.84 -2.555036228e+00 
2.86 -2.514209167e+00 
2.88 -2.470187181e+00 
2.90 -2.423454341e+00 
2.92 -2.374507196e+00 
2.94 -2.323836934e+00 
2.96 -2.271906674e+00 
2.98 -2.219132392e+00 
3.00 -2.165873062e+00 
3.02 -2.112429909e+00 
3.04 -2.059049617e+00 
3.06 -2.005930707e+00 
3.08 -1.953232009e+00 
3.10 -1.901082062e+00 
3.12 -1.849591182e+00 
3.14 -1.798867624e+00 
3.16 -1.749037042e+00 
3.18 -1.700263198e+00 
3.20 -1.652772906e+00 
3.22 -1.606879797e+00 
3.24 -1.563001849e+00 
3.26 -1.521669734e+00 
3.28 -1.483112248e+00 
3.30 -1.444724405e+00 
3.32 -1.407196777e+00 
3.34 -1.370561878e+00 
3.36 -1.334864346e+00 
3.38 -1.300152861e+00 
3.40 -1.266475156e+00 
3.42 -1.233870559e+00 
3.44 -1.202361752e+00 
3.46 -1.171948238e+00 
3.48 -1.142603779e+00 
3.50 -1.114278759e+00 
3.52 -1.086906610e+00 
3.54 -1.060412190e+00 
3.56 -1.034719813e+00 
3.58 -1.009759318e+00 
3.60 -9.854696580e-01 
3.62 -9.618002452e-01 
3.64 -9.387107288e-01 
3.66 -9.161698933e-01 
3.68 -8.941542060e-01 
3.70 -8.726456035e-01 
3.72 -8.516279259e-01 
3.74 -8.310857250e-01 
3.76 -8.110041979e-01 
3.78 -7.913691311e-01 
3.80 -7.721668427e-01 
3.82 -7.533841198e-01 
3.84 -7.350081617e-01 
3.86 -7.170265093e-01 
3.88 -6.994269884e-01 
3.90 -6.821976663e-01 
3.92 -6.653267803e-01 
3.94 -6.488027127e-01 
3.96 -6.326139410e-01 
3.98 -6.167490050e-01 
4.00 -6.011964896e-01 
4.02 -5.859449891e-01 
4.04 -5.709831130e-01 
4.06 -5.562994578e-01 
4.08 -5.418826249e-01 
4.10 -5.277212087e-01 
4.12 -5.138038156e-01 
4.14 -5.001190798e-01 
4.16 -4.866556702e-01 
4.18 -4.734023368e-01 
4.20 -4.603479196e-01 
4.22 -4.474813929e-01 
4.24 -4.347919121e-01 
4.26 -4.222688406e-01 
4.28 -4.099018113e-01 
4.30 -3.976807860e-01 
4.32 -3.855961025e-01 
4.34 -3.736385449e-01 
4.36 -3.617994223e-01 
4.38 -3.500706443e-01 
4.40 -3.384447950e-01 
4.42 -3.269152336e-01 
4.44 -3.154761983e-01 
4.46 -3.041229116e-01 
4.48 -2.928516910e-01 
4.50 -2.816600886e-01 
4.52 -2.705470392e-01 
4.54 -2.595130209e-01 
4.56 -2.485602296e-01 
4.58 -2.376927719e-01 
4.60 -2.269168796e-01 
4.62 -2.162411247e-01 
4.64 -2.056766240e-01 
4.66 -1.952372128e-01 
4.68 -1.849395508e-01 
4.70 -1.748031157e-01 
4.72 -1.648500305e-01 
4.74 -1.551046632e-01 
4.76 -1.455929552e-01 
4.78 -1.363414575e-01 
4.80 -1.273760996e-01 
4.82 -1.187207756e-01 
4.84 -1.103959183e-01 
4.86 -1.024170401e-01 
4.88 -9.479376651e-02 
4.90 -8.752928003e-02 
4.92 -8.062025576e-02 
4.94 -7.405729585e-02 
4.96 -6.782577147e-02 
4.98 -6.190582999e-02 
5.00 -5.627352982e-02 
5.02 -5.090729650e-02 
5.04 -4.578492897e-02 
5.06 -4.088471408e-02 
5.08 -3.618682199e-02 
5.10 -3.167471940e-02 
5.12 -2.733668741e-02 
5.14 -2.316750432e-02 
5.16 -1.917033718e-02 
5.18 -1.535886645e-02 
5.20 -1.175965716e-02 
5.22 -8.414595256e-03 
5.24 -5.383266319e-03 
5.26 -2.745747856e-03 
5.28 -6.057518945e-04 
5.30  9.062943910e-04 
5.32  1.631990714e-03 
5.34  1.381772005e-03 
5.36  7.939408012e-04 
5.38  7.234793120e-04 
5.40  6.578055313e-04 
5.42  5.939624943e-04 
5.44  5.322584919e-04 
5.46  4.730202277e-04 
5.48  4.165838483e-04 
5.50  3.632822148e-04 
5.52  3.134290675e-04 
5.54  2.673013298e-04 
5.56  2.251212936e-04 
5.58  1.870407475e-04 
5.60  1.531290307e-04 
5.62  1.233666137e-04 
5.64  9.764510353e-05 
5.66  7.577362787e-05 
5.68  5.749074219e-05 
5.70  4.248035590e-05 
5.72  3.038977695e-05 
5.74  2.084801043e-05 
5.76  1.348269740e-05 
5.78  7.934514100e-06 
5.80  3.868374711e-06 
5.82  9.812341855e-07 
5.84 -9.933056818e-07 
5.86 -2.283140529e-06 
5.88 -3.077996474e-06 
5.90 -3.531322716e-06 
5.92 -3.763182515e-06 
5.94 -3.863679603e-06 
5.96 -3.896531694e-06 
5.98 -3.902795882e-06 
6.00 -3.902733333e-06