# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Mukhopadhyay-S-Dinda-S-K-Singh-S-K-et-al--Ba-Pt
# implementation = 2025--Mukhopadhyay-S--Ba-Pt--LAMMPS--ipr1
# composition = Ba2Pt
# 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 2025-12-17

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  6.593784453e+02 
1.06  6.112676197e+02 
1.08  5.671314032e+02 
1.10  5.265280932e+02 
1.12  4.890005302e+02 
1.14  4.542073761e+02 
1.16  4.219617022e+02 
1.18  3.921393348e+02 
1.20  3.645728443e+02 
1.22  3.390423261e+02 
1.24  3.153122125e+02 
1.26  2.931848876e+02 
1.28  2.725213296e+02 
1.30  2.532143639e+02 
1.32  2.351858955e+02 
1.34  2.183882885e+02 
1.36  2.027929791e+02 
1.38  1.883823212e+02 
1.40  1.751239268e+02 
1.42  1.629416226e+02 
1.44  1.517108224e+02 
1.46  1.412819451e+02 
1.48  1.315195492e+02 
1.50  1.223298777e+02 
1.52  1.136629086e+02 
1.54  1.054943854e+02 
1.56  9.780475970e+01 
1.58  9.057050803e+01 
1.60  8.376797484e+01 
1.62  7.738472206e+01 
1.64  7.141763736e+01 
1.66  6.586180046e+01 
1.68  6.070304231e+01 
1.70  5.591483262e+01 
1.72  5.146294437e+01 
1.74  4.731671304e+01 
1.76  4.345454049e+01 
1.78  3.986142894e+01 
1.80  3.652571522e+01 
1.82  3.343529416e+01 
1.84  3.057299621e+01 
1.86  2.791293741e+01 
1.88  2.542228230e+01 
1.90  2.306967420e+01 
1.92  2.083356287e+01 
1.94  1.870623552e+01 
1.96  1.669262516e+01 
1.98  1.480459721e+01 
2.00  1.305456724e+01 
2.02  1.145150926e+01 
2.04  9.998845189e+00 
2.06  8.693041914e+00 
2.08  7.523415401e+00 
2.10  6.474256449e+00 
2.12  5.525904464e+00 
2.14  4.656706317e+00 
2.16  3.846333656e+00 
2.18  3.079328026e+00 
2.20  2.347081601e+00 
2.22  1.647070503e+00 
2.24  9.803164725e-01 
2.26  3.485645930e-01 
2.28 -2.475296857e-01 
2.30 -8.087055623e-01 
2.32 -1.336308435e+00 
2.34 -1.831350123e+00 
2.36 -2.293941951e+00 
2.38 -2.722657689e+00 
2.40 -3.115145075e+00 
2.42 -3.469320769e+00 
2.44 -3.784302421e+00 
2.46 -4.061035892e+00 
2.48 -4.302697062e+00 
2.50 -4.514645900e+00 
2.52 -4.703695860e+00 
2.54 -4.877291334e+00 
2.56 -5.042608841e+00 
2.58 -5.205524907e+00 
2.60 -5.369783788e+00 
2.62 -5.536660574e+00 
2.64 -5.705212684e+00 
2.66 -5.872981812e+00 
2.68 -6.036882888e+00 
2.70 -6.194035476e+00 
2.72 -6.342397917e+00 
2.74 -6.481155450e+00 
2.76 -6.610876296e+00 
2.78 -6.733570528e+00 
2.80 -6.852650412e+00 
2.82 -6.972524886e+00 
2.84 -7.098145258e+00 
2.86 -7.234877506e+00 
2.88 -7.388304695e+00 
2.90 -7.563761524e+00 
2.92 -7.765294623e+00 
2.94 -7.993426587e+00 
2.96 -8.241166190e+00 
2.98 -8.486891504e+00 
3.00 -8.682194430e+00 
3.02 -8.731630970e+00 
3.04 -8.459572411e+00 
3.06 -7.556645569e+00 
3.08 -5.494129015e+00 
3.10 -1.388501460e+00 
3.12  6.211300089e+00 
3.14  1.965576497e+01 
3.16  4.270937562e+01 
3.18  8.134398318e+01 
3.20  1.449558640e+02 
3.22  2.482240008e+02 
3.24  4.139351329e+02 
3.26  6.772611593e+02 
3.28  1.092210989e+03 
3.30  1.741327592e+03 
3.32  2.750213783e+03 
3.34  4.309222671e+03 
3.36  6.705750149e+03 
3.38  1.037217542e+04 
3.40  1.595683907e+04 
3.42  2.442885424e+04 
3.44  3.723248509e+04 
3.46  5.651397029e+04 
3.48  8.545397981e+04 
3.50  1.287537394e+05 
3.52  1.933441873e+05 
3.54  2.894181118e+05 
3.56  4.319289440e+05 
3.58  6.427622738e+05 
3.60  9.538749769e+05 
3.62  1.411822960e+06 
3.64  2.084277205e+06 
3.66  3.069380276e+06 
3.68  4.509151672e+06 
3.70  6.608653684e+06 
3.72  9.663331869e+06 
3.74  1.409793106e+07 
3.76  2.052176659e+07 
3.78  2.980706218e+07 
3.80  4.319973450e+07 
3.82  6.247577365e+07 
3.84  9.016149064e+07 
3.86  1.298432242e+08 
3.88  1.866019035e+08 
3.90  2.676217386e+08 
3.92  3.830416224e+08 
3.94  5.471433821e+08 
3.96  7.800073262e+08 
3.98  1.109817319e+09 
4.00  1.576059534e+09 
4.02  2.233961807e+09 
4.04  3.160631101e+09 
4.06  4.463556422e+09 
4.08  6.292308774e+09 
4.10  8.854689233e+09 
4.12  1.243894306e+10 
4.14  1.744427970e+10 
4.16  2.442253880e+10 
4.18  3.413573383e+10 
4.20  4.763421379e+10 
4.22  6.636345199e+10 
4.24  9.230994063e+10 
4.26  1.282001405e+11 
4.28  1.777713822e+11 
4.30  2.461302039e+11 
4.32  3.402718362e+11 
4.34  4.697122125e+11 
4.36  6.474730915e+11 
4.38  8.912150014e+11 
4.40  1.224947526e+12 
4.42  1.681349172e+12 
4.44  2.304687339e+12 
4.46  3.154908111e+12 
4.48  4.313120772e+12 
4.50  5.889033091e+12 
4.52  8.031275547e+12 
4.54  1.094046115e+13 
4.56  1.488283970e+13 
4.58  2.021837092e+13 
4.60  2.744757837e+13 
4.62  3.722635820e+13 
4.64  5.038481224e+13 
4.66  6.824098593e+13 
4.68  9.218018453e+13 
4.70  1.245782949e+14 
4.72  1.680284429e+14 
4.74  2.268006062e+14 
4.76  3.050326642e+14 
4.78  4.124277956e+14 
4.80  5.508163220e+14 
4.82  7.487143072e+14 
4.84  1.003527448e+15 
4.86  1.341369400e+15 
4.88  1.848730333e+15 
4.90  2.457111047e+15 
4.92  3.246450019e+15 
4.94  4.731944112e+15 
4.96  6.454255963e+15 
4.98  7.949311601e+15 
5.00  1.237477618e+16 
5.02  2.246776058e+16 
5.04  3.164238734e+16 
5.06  3.480399465e+16 
5.08  4.591641996e+16 
5.10  3.868548387e+17 
5.12  8.960691018e+17 
5.14  1.273627154e+18 
5.16  1.298491489e+18 
5.18  8.135214938e+17 
5.20 -3.717164796e+17 
5.22 -2.911223783e+18 
5.24 -5.979175181e+18 
5.26 -8.635947676e+18 
5.28 -1.018791492e+19 
5.30 -1.014164252e+19 
5.32 -8.165552873e+18 
5.34 -4.057831969e+18 
5.36  2.281720655e+18 
5.38  1.112433842e+19 
5.40  2.189105379e+19 
5.42  3.365702653e+19 
5.44  4.570441223e+19 
5.46  5.748599023e+19 
5.48  6.859411104e+19 
5.50  7.873407547e+19 
5.52  8.770267384e+19 
5.54  9.536905594e+19 
5.56  1.016586165e+20 
5.58  1.065400513e+20 
5.60  1.100147425e+20 
5.62  1.121082301e+20 
5.64  1.128627090e+20 
5.66  1.124201597e+20 
5.68  1.110582126e+20 
5.70  1.089564780e+20 
5.72  1.062645219e+20 
5.74  1.031076409e+20 
5.76  9.959082124e+19 
5.78  9.580206145e+19 
5.80  9.181517464e+19 
5.82  8.769221431e+19 
5.84  8.348522846e+19 
5.86  7.923785909e+19 
5.88  7.498669397e+19 
5.90  7.076238443e+19 
5.92  6.659057564e+19 
5.94  6.249268190e+19 
5.96  5.848653346e+19 
5.98  5.458691663e+19 
6.00  5.080602469e+19