# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Mendelev-M-I-Kramer-M-J-Ott-R-T-et-al--Cu-Zr
# implementation = 2009--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1
# composition = Cu2Zr
# 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  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  1.496984300e+04 
1.12  1.354288439e+04 
1.14  1.221667992e+04 
1.16  1.098231240e+04 
1.18  9.831819407e+03 
1.20  8.758069354e+03 
1.22  7.754639487e+03 
1.24  6.815754006e+03 
1.26  5.936235888e+03 
1.28  5.111435207e+03 
1.30  4.337149082e+03 
1.32  3.609571157e+03 
1.34  2.937282907e+03 
1.36  2.386004212e+03 
1.38  1.943412769e+03 
1.40  1.587277035e+03 
1.42  1.300081179e+03 
1.44  1.068021969e+03 
1.46  8.800931855e+02 
1.48  7.275534761e+02 
1.50  6.034441457e+02 
1.52  5.022062970e+02 
1.54  4.193911180e+02 
1.56  3.514349427e+02 
1.58  2.955197892e+02 
1.60  2.493711204e+02 
1.62  2.111402278e+02 
1.64  1.793460401e+02 
1.66  1.527929020e+02 
1.68  1.305119729e+02 
1.70  1.117176383e+02 
1.72  9.580364209e+01 
1.74  8.244880075e+01 
1.76  7.121045138e+01 
1.78  6.168926527e+01 
1.80  5.356328249e+01 
1.82  4.657588599e+01 
1.84  4.052592004e+01 
1.86  3.525787062e+01 
1.88  3.064907921e+01 
1.90  2.659995751e+01 
1.92  2.302812261e+01 
1.94  1.986531895e+01 
1.96  1.705488789e+01 
1.98  1.454956990e+01 
2.00  1.230960283e+01 
2.02  1.030108725e+01 
2.04  8.494850043e+00 
2.06  6.866191705e+00 
2.08  5.394941452e+00 
2.10  4.065739760e+00 
2.12  2.889460974e+00 
2.14  1.870782285e+00 
2.16  9.903402788e-01 
2.18  2.313145433e-01 
2.20 -4.199763717e-01 
2.22 -9.748795458e-01 
2.24 -1.444383333e+00 
2.26 -1.839414102e+00 
2.28 -2.170291254e+00 
2.30 -2.446469379e+00 
2.32 -2.676462687e+00 
2.34 -2.867887965e+00 
2.36 -3.027510130e+00 
2.38 -3.161141515e+00 
2.40 -3.273893476e+00 
2.42 -3.370750457e+00 
2.44 -3.455533251e+00 
2.46 -3.530530868e+00 
2.48 -3.597046512e+00 
2.50 -3.655610677e+00 
2.52 -3.706220518e+00 
2.54 -3.748709341e+00 
2.56 -3.782964321e+00 
2.58 -3.809101636e+00 
2.60 -3.828102045e+00 
2.62 -3.840227222e+00 
2.64 -3.844644222e+00 
2.66 -3.841040235e+00 
2.68 -3.829263750e+00 
2.70 -3.809619678e+00 
2.72 -3.782951624e+00 
2.74 -3.750527171e+00 
2.76 -3.713872439e+00 
2.78 -3.674456519e+00 
2.80 -3.633534930e+00 
2.82 -3.592099377e+00 
2.84 -3.550802075e+00 
2.86 -3.509881005e+00 
2.88 -3.469082701e+00 
2.90 -3.427674449e+00 
2.92 -3.384957323e+00 
2.94 -3.340416867e+00 
2.96 -3.293630861e+00 
2.98 -3.244369891e+00 
3.00 -3.192698825e+00 
3.02 -3.138939298e+00 
3.04 -3.083637299e+00 
3.06 -3.027471228e+00 
3.08 -2.971141341e+00 
3.10 -2.915317536e+00 
3.12 -2.860604736e+00 
3.14 -2.807518958e+00 
3.16 -2.756472193e+00 
3.18 -2.707763836e+00 
3.20 -2.661579209e+00 
3.22 -2.617993922e+00 
3.24 -2.576982242e+00 
3.26 -2.538428588e+00 
3.28 -2.502141366e+00 
3.30 -2.467868196e+00 
3.32 -2.435312106e+00 
3.34 -2.404148497e+00 
3.36 -2.374041384e+00 
3.38 -2.344658346e+00 
3.40 -2.315684068e+00 
3.42 -2.286832177e+00 
3.44 -2.257855100e+00 
3.46 -2.228548908e+00 
3.48 -2.198749559e+00 
3.50 -2.168331566e+00 
3.52 -2.137206766e+00 
3.54 -2.105321310e+00 
3.56 -2.072650992e+00 
3.58 -2.039195461e+00 
3.60 -2.004971795e+00 
3.62 -1.970007954e+00 
3.64 -1.934336933e+00 
3.66 -1.897992265e+00 
3.68 -1.861005811e+00 
3.70 -1.823413711e+00 
3.72 -1.785282021e+00 
3.74 -1.746713303e+00 
3.76 -1.707837697e+00 
3.78 -1.668803614e+00 
3.80 -1.629768792e+00 
3.82 -1.590891887e+00 
3.84 -1.552324816e+00 
3.86 -1.514206134e+00 
3.88 -1.476655597e+00 
3.90 -1.439770380e+00 
3.92 -1.403623024e+00 
3.94 -1.368261527e+00 
3.96 -1.333711953e+00 
3.98 -1.299983827e+00 
4.00 -1.267065840e+00 
4.02 -1.234897254e+00 
4.04 -1.203394152e+00 
4.06 -1.172488057e+00 
4.08 -1.142124767e+00 
4.10 -1.112259197e+00 
4.12 -1.082850336e+00 
4.14 -1.053856267e+00 
4.16 -1.025229250e+00 
4.18 -9.969148118e-01 
4.20 -9.688749690e-01 
4.22 -9.411015215e-01 
4.24 -9.136099854e-01 
4.26 -8.864333053e-01 
4.28 -8.596164525e-01 
4.30 -8.332118906e-01 
4.32 -8.072757474e-01 
4.34 -7.818647227e-01 
4.36 -7.570335996e-01 
4.38 -7.328333119e-01 
4.40 -7.093095284e-01 
4.42 -6.865016324e-01 
4.44 -6.644413796e-01 
4.46 -6.431518078e-01 
4.48 -6.226470257e-01 
4.50 -6.029323110e-01 
4.52 -5.840044084e-01 
4.54 -5.658520000e-01 
4.56 -5.484562999e-01 
4.58 -5.317917601e-01 
4.60 -5.158267409e-01 
4.62 -5.005243659e-01 
4.64 -4.858435505e-01 
4.66 -4.717395300e-01 
4.68 -4.581647356e-01 
4.70 -4.450707950e-01 
4.72 -4.324082070e-01 
4.74 -4.201291271e-01 
4.76 -4.081860540e-01 
4.78 -3.965350056e-01 
4.80 -3.851329255e-01 
4.82 -3.739430778e-01 
4.84 -3.629279148e-01 
4.86 -3.520595248e-01 
4.88 -3.413093446e-01 
4.90 -3.306533704e-01 
4.92 -3.200802125e-01 
4.94 -3.095683691e-01 
4.96 -2.991039615e-01 
4.98 -2.886948630e-01 
5.00 -2.783380515e-01 
5.02 -2.678631361e-01 
5.04 -2.574020366e-01 
5.06 -2.471307868e-01 
5.08 -2.371742418e-01 
5.10 -2.276613511e-01 
5.12 -2.186703407e-01 
5.14 -2.097826330e-01 
5.16 -2.006655738e-01 
5.18 -1.909924040e-01 
5.20 -1.808292309e-01 
5.22 -1.703433720e-01 
5.24 -1.597040067e-01 
5.26 -1.491049287e-01 
5.28 -1.384387226e-01 
5.30 -1.276226369e-01 
5.32 -1.166710037e-01 
5.34 -1.056612466e-01 
5.36 -9.470552205e-02 
5.38 -8.391042764e-02 
5.40 -7.358308687e-02 
5.42 -6.398881270e-02 
5.44 -5.527951149e-02 
5.46 -4.752100097e-02 
5.48 -4.071365995e-02 
5.50 -3.480775786e-02 
5.52 -2.971566636e-02 
5.54 -2.533272943e-02 
5.56 -2.155575600e-02 
5.58 -1.828782275e-02 
5.60 -1.544042063e-02 
5.62 -1.293457143e-02 
5.64 -1.070118874e-02 
5.66 -8.680925110e-03 
5.68 -6.823678852e-03 
5.70 -5.087911168e-03 
5.72 -3.439850605e-03 
5.74 -1.852663096e-03 
5.76 -3.056446001e-04 
5.78  1.216541086e-03 
5.80  2.724571906e-03 
5.82  4.225096645e-03 
5.84  5.721287313e-03 
5.86  7.213321274e-03 
5.88  8.698795041e-03 
5.90  1.017308930e-02 
5.92  1.162964448e-02 
5.94  1.306022540e-02 
5.96  1.445512948e-02 
5.98  1.580334394e-02 
6.00  1.709269044e-02