# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd
# implementation = 2012--Schopf-D--Al-Mn-Pd--LAMMPS--ipr1
# composition = Mn2Pd
# 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 -9.293221619e+06 
1.06 -5.921306391e+06 
1.08 -3.536090267e+06 
1.10 -1.959157040e+06 
1.12 -9.847664748e+05 
1.14 -4.247735261e+05 
1.16 -1.407624028e+05 
1.18 -2.776319280e+04 
1.20 -1.390665894e+03 
1.22 -4.475230047e+02 
1.24 -4.156619039e+02 
1.26 -3.858418249e+02 
1.28 -3.582358787e+02 
1.30 -3.327228326e+02 
1.32 -3.091053513e+02 
1.34 -2.871026857e+02 
1.36 -2.664163129e+02 
1.38 -2.468864782e+02 
1.40 -2.285166500e+02 
1.42 -2.112445084e+02 
1.44 -1.950232244e+02 
1.46 -1.798095549e+02 
1.48 -1.655366452e+02 
1.50 -1.521063912e+02 
1.52 -1.394249991e+02 
1.54 -1.274403944e+02 
1.56 -1.168581475e+02 
1.58 -1.070732529e+02 
1.60 -9.770542482e+01 
1.62 -8.875388601e+01 
1.64 -8.023145004e+01 
1.66 -7.217207635e+01 
1.68 -6.460974557e+01 
1.70 -5.756170792e+01 
1.72 -5.103923194e+01 
1.74 -4.501777907e+01 
1.76 -3.946919556e+01 
1.78 -3.437817704e+01 
1.80 -2.973470905e+01 
1.82 -2.552993913e+01 
1.84 -2.175177893e+01 
1.86 -1.838306952e+01 
1.88 -1.540220566e+01 
1.90 -1.278372892e+01 
1.92 -1.049842404e+01 
1.94 -8.515625771e+00 
1.96 -6.808648208e+00 
1.98 -5.358953615e+00 
2.00 -4.153851682e+00 
2.02 -3.180649423e+00 
2.04 -2.423415264e+00 
2.06 -1.863070155e+00 
2.08 -1.478441223e+00 
2.10 -1.247347467e+00 
2.12 -1.146841024e+00 
2.14 -1.153223385e+00 
2.16 -1.241935475e+00 
2.18 -1.387584866e+00 
2.20 -1.564496109e+00 
2.22 -1.747807975e+00 
2.24 -1.916190791e+00 
2.26 -2.067913373e+00 
2.28 -2.206988908e+00 
2.30 -2.335914641e+00 
2.32 -2.456364561e+00 
2.34 -2.569761117e+00 
2.36 -2.677346550e+00 
2.38 -2.779787714e+00 
2.40 -2.876758089e+00 
2.42 -2.967108019e+00 
2.44 -3.049358332e+00 
2.46 -3.122144936e+00 
2.48 -3.184380832e+00 
2.50 -3.235245281e+00 
2.52 -3.273986684e+00 
2.54 -3.299861046e+00 
2.56 -3.312125257e+00 
2.58 -3.310096347e+00 
2.60 -3.293296957e+00 
2.62 -3.261695896e+00 
2.64 -3.215902126e+00 
2.66 -3.157155494e+00 
2.68 -3.086993433e+00 
2.70 -3.006814031e+00 
2.72 -2.917589371e+00 
2.74 -2.819891688e+00 
2.76 -2.714030829e+00 
2.78 -2.600236733e+00 
2.80 -2.478775828e+00 
2.82 -2.350000987e+00 
2.84 -2.214386353e+00 
2.86 -2.072532828e+00 
2.88 -1.925095545e+00 
2.90 -1.772614408e+00 
2.92 -1.615301487e+00 
2.94 -1.452873780e+00 
2.96 -1.284435497e+00 
2.98 -1.108284615e+00 
3.00 -9.213342348e-01 
3.02 -7.170970338e-01 
3.04 -4.780493478e-01 
3.06 -1.555255207e-01 
3.08 -3.645205412e-01 
3.10 -1.817774178e+00 
3.12 -4.852873131e+00 
3.14 -9.517352836e+00 
3.16 -1.565636795e+01 
3.18 -2.298659177e+01 
3.20 -3.115550299e+01 
3.22 -3.978699620e+01 
3.24 -4.851485194e+01 
3.26 -5.700521031e+01 
3.28 -6.497046538e+01 
3.30 -7.217643571e+01 
3.32 -7.844416020e+01 
3.34 -8.364834453e+01 
3.36 -8.771310186e+01 
3.38 -9.060681530e+01 
3.40 -9.233594578e+01 
3.42 -9.293850809e+01 
3.44 -9.247864078e+01 
3.46 -9.104013989e+01 
3.48 -8.872195908e+01 
3.50 -8.563309794e+01 
3.52 -8.188874571e+01 
3.54 -7.760671102e+01 
3.56 -7.290431015e+01 
3.58 -6.789587310e+01 
3.60 -6.269046019e+01 
3.62 -5.739021963e+01 
3.64 -5.208873696e+01 
3.66 -4.687016997e+01 
3.68 -4.180824120e+01 
3.70 -3.696575401e+01 
3.72 -3.239391607e+01 
3.74 -2.813246430e+01 
3.76 -2.420995755e+01 
3.78 -2.064428837e+01 
3.80 -1.744338069e+01 
3.82 -1.460622784e+01 
3.84 -1.212382509e+01 
3.86 -9.980311585e+00 
3.88 -8.154104418e+00 
3.90 -6.619168078e+00 
3.92 -5.346267385e+00 
3.94 -4.304319573e+00 
3.96 -3.461819415e+00 
3.98 -2.788350766e+00 
4.00 -2.256037479e+00 
4.02 -1.840994265e+00 
4.04 -1.524294493e+00 
4.06 -1.292242726e+00 
4.08 -1.135550341e+00 
4.10 -1.047392514e+00 
4.12 -1.020803002e+00 
4.14 -1.046292149e+00 
4.16 -1.110543419e+00 
4.18 -1.196545870e+00 
4.20 -1.285294376e+00 
4.22 -1.365054075e+00 
4.24 -1.429304422e+00 
4.26 -1.479150376e+00 
4.28 -1.520554800e+00 
4.30 -1.557457414e+00 
4.32 -1.589885021e+00 
4.34 -1.617342733e+00 
4.36 -1.639941450e+00 
4.38 -1.658211718e+00 
4.40 -1.672628828e+00 
4.42 -1.683460051e+00 
4.44 -1.690863556e+00 
4.46 -1.695004313e+00 
4.48 -1.696059542e+00 
4.50 -1.694212380e+00 
4.52 -1.689639853e+00 
4.54 -1.682511440e+00 
4.56 -1.672983412e+00 
4.58 -1.661207836e+00 
4.60 -1.647332029e+00 
4.62 -1.631502850e+00 
4.64 -1.613864197e+00 
4.66 -1.594555320e+00 
4.68 -1.573712540e+00 
4.70 -1.551468468e+00 
4.72 -1.527951286e+00 
4.74 -1.503283068e+00 
4.76 -1.477582231e+00 
4.78 -1.450961941e+00 
4.80 -1.423531582e+00 
4.82 -1.395399673e+00 
4.84 -1.366671932e+00 
4.86 -1.337447694e+00 
4.88 -1.307817298e+00 
4.90 -1.277863958e+00 
4.92 -1.247653555e+00 
4.94 -1.217243931e+00 
4.96 -1.186687292e+00 
4.98 -1.156034528e+00 
5.00 -1.125325143e+00 
5.02 -1.094621777e+00 
5.04 -1.063993003e+00 
5.06 -1.033499372e+00 
5.08 -1.003198953e+00 
5.10 -9.731315461e-01 
5.12 -9.433342090e-01 
5.14 -9.138302635e-01 
5.16 -8.846253192e-01 
5.18 -8.557240886e-01 
5.20 -8.271282147e-01 
5.22 -7.988303046e-01 
5.24 -7.708236924e-01 
5.26 -7.431075150e-01 
5.28 -7.156887129e-01 
5.30 -6.885702551e-01 
5.32 -6.617554773e-01 
5.34 -6.352494585e-01 
5.36 -6.090615854e-01 
5.38 -5.832064114e-01 
5.40 -5.577046328e-01 
5.42 -5.325763170e-01 
5.44 -5.078452999e-01 
5.46 -4.835394997e-01 
5.48 -4.596892526e-01 
5.50 -4.363073228e-01 
5.52 -4.133966121e-01 
5.54 -3.909392086e-01 
5.56 -3.689260539e-01 
5.58 -3.473573905e-01 
5.60 -3.262409842e-01 
5.62 -3.056226273e-01 
5.64 -2.856026295e-01 
5.66 -2.662650787e-01 
5.68 -2.476885799e-01 
5.70 -2.299360609e-01 
5.72 -2.131022171e-01 
5.74 -1.971152788e-01 
5.76 -1.818436035e-01 
5.78 -1.671852423e-01 
5.80 -1.530075531e-01 
5.82 -1.392379240e-01 
5.84 -1.258282991e-01 
5.86 -1.127278276e-01 
5.88 -9.996764968e-02 
5.90 -8.762155413e-02 
5.92 -7.575143278e-02 
5.94 -6.441552785e-02 
5.96 -5.370784212e-02 
5.98 -4.372198808e-02 
6.00 -3.452147632e-02