# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Mukhopadhyay-S-Dinda-S-K-Pal-S--Ba-Rh
# implementation = 2025--Mukhopadhyay-S--Ba-Rh--LAMMPS--ipr1
# composition = BaRh2
# 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  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  nan             
1.16  nan             
1.18  nan             
1.20  nan             
1.22  nan             
1.24  nan             
1.26  nan             
1.28  nan             
1.30  nan             
1.32  nan             
1.34  nan             
1.36  nan             
1.38  nan             
1.40  nan             
1.42  nan             
1.44  nan             
1.46  nan             
1.48  nan             
1.50  nan             
1.52  nan             
1.54  nan             
1.56  nan             
1.58  nan             
1.60  nan             
1.62  nan             
1.64  nan             
1.66  nan             
1.68  nan             
1.70  nan             
1.72  nan             
1.74  nan             
1.76  nan             
1.78  nan             
1.80  nan             
1.82  nan             
1.84  nan             
1.86  nan             
1.88  nan             
1.90  nan             
1.92  nan             
1.94  nan             
1.96  nan             
1.98  nan             
2.00  nan             
2.02  nan             
2.04  nan             
2.06  nan             
2.08  nan             
2.10  nan             
2.12  nan             
2.14  nan             
2.16  nan             
2.18  nan             
2.20 -3.489375104e+01 
2.22 -2.775125248e+01 
2.24 -2.198913208e+01 
2.26 -1.738704795e+01 
2.28 -1.375622232e+01 
2.30 -1.093216518e+01 
2.32 -8.771986471e+00 
2.34 -7.152051708e+00 
2.36 -5.965522076e+00 
2.38 -5.120485978e+00 
2.40 -4.538517582e+00 
2.42 -4.154129390e+00 
2.44 -3.915069162e+00 
2.46 -3.781628071e+00 
2.48 -3.724616042e+00 
2.50 -3.722590018e+00 
2.52 -3.759137934e+00 
2.54 -3.820965070e+00 
2.56 -3.896940484e+00 
2.58 -3.978197460e+00 
2.60 -4.058698115e+00 
2.62 -4.135698021e+00 
2.64 -4.209039734e+00 
2.66 -4.279739136e+00 
2.68 -4.348671391e+00 
2.70 -4.415837993e+00 
2.72 -4.480167574e+00 
2.74 -4.539801386e+00 
2.76 -4.592533824e+00 
2.78 -4.636782343e+00 
2.80 -4.672459243e+00 
2.82 -4.701005141e+00 
2.84 -4.724678318e+00 
2.86 -4.745690709e+00 
2.88 -4.765780761e+00 
2.90 -4.786177721e+00 
2.92 -4.807745103e+00 
2.94 -4.831215318e+00 
2.96 -4.856962406e+00 
2.98 -4.884769268e+00 
3.00 -4.913900646e+00 
3.02 -4.943363288e+00 
3.04 -4.972271294e+00 
3.06 -5.000172490e+00 
3.08 -5.027067128e+00 
3.10 -5.053218698e+00 
3.12 -5.078919331e+00 
3.14 -5.104342707e+00 
3.16 -5.129500220e+00 
3.18 -5.154376312e+00 
3.20 -5.179056422e+00 
3.22 -5.203700951e+00 
3.24 -5.228437369e+00 
3.26 -5.253274529e+00 
3.28 -5.278043453e+00 
3.30 -5.302343236e+00 
3.32 -5.325598794e+00 
3.34 -5.347280880e+00 
3.36 -5.367084166e+00 
3.38 -5.384994618e+00 
3.40 -5.401261349e+00 
3.42 -5.416328387e+00 
3.44 -5.430764432e+00 
3.46 -5.445166610e+00 
3.48 -5.460038422e+00 
3.50 -5.475723092e+00 
3.52 -5.492446096e+00 
3.54 -5.510321081e+00 
3.56 -5.529349822e+00 
3.58 -5.549436954e+00 
3.60 -5.570422354e+00 
3.62 -5.592141035e+00 
3.64 -5.614449365e+00 
3.66 -5.637208606e+00 
3.68 -5.660237241e+00 
3.70 -5.683257520e+00 
3.72 -5.705873052e+00 
3.74 -5.727594929e+00 
3.76 -5.747915007e+00 
3.78 -5.766411365e+00 
3.80 -5.782835016e+00 
3.82 -5.797131980e+00 
3.84 -5.809396919e+00 
3.86 -5.819803422e+00 
3.88 -5.828571868e+00 
3.90 -5.835945566e+00 
3.92 -5.842169336e+00 
3.94 -5.847468800e+00 
3.96 -5.852036344e+00 
3.98 -5.856076749e+00 
4.00 -5.859812113e+00 
4.02 -5.863449283e+00 
4.04 -5.867157750e+00 
4.06 -5.871059949e+00 
4.08 -5.875230022e+00 
4.10 -5.879694967e+00 
4.12 -5.884440473e+00 
4.14 -5.889417123e+00 
4.16 -5.894548866e+00 
4.18 -5.899750941e+00 
4.20 -5.904943000e+00 
4.22 -5.910065201e+00 
4.24 -5.915092516e+00 
4.26 -5.920040784e+00 
4.28 -5.924964743e+00 
4.30 -5.929952265e+00 
4.32 -5.935104046e+00 
4.34 -5.940508217e+00 
4.36 -5.946218568e+00 
4.38 -5.952240716e+00 
4.40 -5.958529287e+00 
4.42 -5.964997502e+00 
4.44 -5.971537693e+00 
4.46 -5.978047642e+00 
4.48 -5.984459070e+00 
4.50 -5.990750582e+00 
4.52 -5.996938088e+00 
4.54 -6.003054688e+00 
4.56 -6.009121860e+00 
4.58 -6.015124450e+00 
4.60 -6.020998053e+00 
4.62 -6.026630509e+00 
4.64 -6.031875118e+00 
4.66 -6.036570402e+00 
4.68 -6.040563945e+00 
4.70 -6.043749045e+00 
4.72 -6.046084496e+00 
4.74 -6.047593151e+00 
4.76 -6.048352088e+00 
4.78 -6.048477423e+00 
4.80 -6.048106731e+00 
4.82 -6.047381736e+00 
4.84 -6.046433125e+00 
4.86 -6.045368546e+00 
4.88 -6.044264302e+00 
4.90 -6.043161238e+00 
4.92 -6.042065263e+00 
4.94 -6.040955649e+00 
4.96 -6.039800620e+00 
4.98 -6.038568210e+00 
5.00 -6.037235426e+00 
5.02 -6.035800460e+00 
5.04 -6.034287807e+00 
5.06 -6.032743803e+00 
5.08 -6.031228628e+00 
5.10 -6.029807169e+00 
5.12 -6.028540484e+00 
5.14 -6.027478900e+00 
5.16 -6.026657039e+00 
5.18 -6.026090701e+00 
5.20 -6.025775318e+00 
5.22 -6.025685901e+00 
5.24 -6.025782076e+00 
5.26 -6.026016987e+00 
5.28 -6.026341567e+00 
5.30 -6.026708397e+00 
5.32 -6.027075925e+00 
5.34 -6.027412487e+00 
5.36 -6.027699559e+00 
5.38 -6.027933766e+00 
5.40 -6.028127340e+00 
5.42 -6.028307013e+00 
5.44 -6.028511504e+00 
5.46 -6.028787940e+00 
5.48 -6.029187600e+00 
5.50 -6.029761332e+00 
5.52 -6.030554881e+00 
5.54 -6.031604332e+00 
5.56 -6.032931890e+00 
5.58 -6.034542347e+00 
5.60 -6.036420525e+00 
5.62 -6.038529918e+00 
5.64 -6.040812741e+00 
5.66 -6.043191713e+00 
5.68 -6.045574006e+00 
5.70 -6.047859042e+00 
5.72 -6.049949830e+00 
5.74 -6.051762859e+00 
5.76 -6.053236901e+00 
5.78 -6.054339625e+00 
5.80 -6.055070599e+00 
5.82 -6.055460114e+00 
5.84 -6.055564307e+00 
5.86 -6.055457870e+00 
5.88 -6.055225919e+00 
5.90 -6.054956326e+00 
5.92 -6.054733263e+00 
5.94 -6.054632241e+00 
5.96 -6.054716543e+00 
5.98 -6.055034751e+00 
6.00 -6.055619005e+00