# 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 = Ba2Rh
# 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 -6.509935968e+02 
2.22 -5.773325378e+02 
2.24 -5.082270687e+02 
2.26 -4.443830941e+02 
2.28 -3.861641821e+02 
2.30 -3.336660588e+02 
2.32 -2.867883570e+02 
2.34 -2.452887599e+02 
2.36 -2.088303713e+02 
2.38 -1.770232649e+02 
2.40 -1.494485071e+02 
2.42 -1.256784204e+02 
2.44 -1.052966186e+02 
2.46 -8.790864953e+01 
2.48 -7.314725484e+01 
2.50 -6.067728103e+01 
2.52 -5.019641906e+01 
2.54 -4.143172548e+01 
2.56 -3.413698345e+01 
2.58 -2.809267165e+01 
2.60 -2.310550149e+01 
2.62 -1.900781408e+01 
2.64 -1.565662120e+01 
2.66 -1.293167027e+01 
2.68 -1.073161971e+01 
2.70 -8.969523759e+00 
2.72 -7.569508833e+00 
2.74 -6.465371430e+00 
2.76 -5.599921469e+00 
2.78 -4.925268868e+00 
2.80 -4.402745399e+00 
2.82 -4.001822574e+00 
2.84 -3.698467995e+00 
2.86 -3.473487265e+00 
2.88 -3.311438469e+00 
2.90 -3.199853762e+00 
2.92 -3.128735430e+00 
2.94 -3.090332738e+00 
2.96 -3.078328539e+00 
2.98 -3.087115475e+00 
3.00 -3.111536819e+00 
3.02 -3.146782975e+00 
3.04 -3.188471783e+00 
3.06 -3.232856467e+00 
3.08 -3.276970733e+00 
3.10 -3.318814776e+00 
3.12 -3.357418063e+00 
3.14 -3.392622276e+00 
3.16 -3.424675977e+00 
3.18 -3.454002032e+00 
3.20 -3.481054647e+00 
3.22 -3.506134092e+00 
3.24 -3.529320842e+00 
3.26 -3.550673397e+00 
3.28 -3.570306070e+00 
3.30 -3.588269368e+00 
3.32 -3.604477861e+00 
3.34 -3.618832129e+00 
3.36 -3.631270089e+00 
3.38 -3.641674940e+00 
3.40 -3.649766556e+00 
3.42 -3.655209991e+00 
3.44 -3.657890611e+00 
3.46 -3.658104930e+00 
3.48 -3.656513692e+00 
3.50 -3.653943778e+00 
3.52 -3.651250388e+00 
3.54 -3.649157324e+00 
3.56 -3.648164989e+00 
3.58 -3.648533417e+00 
3.60 -3.650341708e+00 
3.62 -3.653661876e+00 
3.64 -3.658609798e+00 
3.66 -3.665299315e+00 
3.68 -3.673749711e+00 
3.70 -3.683776892e+00 
3.72 -3.694928702e+00 
3.74 -3.706509000e+00 
3.76 -3.717707678e+00 
3.78 -3.727812860e+00 
3.80 -3.736398264e+00 
3.82 -3.743376364e+00 
3.84 -3.748894145e+00 
3.86 -3.753157001e+00 
3.88 -3.756311661e+00 
3.90 -3.758410817e+00 
3.92 -3.759454620e+00 
3.94 -3.759460196e+00 
3.96 -3.758513963e+00 
3.98 -3.756855222e+00 
4.00 -3.754851211e+00 
4.02 -3.752898816e+00 
4.04 -3.751351690e+00 
4.06 -3.750487069e+00 
4.08 -3.750501983e+00 
4.10 -3.751518883e+00 
4.12 -3.753609364e+00 
4.14 -3.756810812e+00 
4.16 -3.761102286e+00 
4.18 -3.766380963e+00 
4.20 -3.772446044e+00 
4.22 -3.779015041e+00 
4.24 -3.785776007e+00 
4.26 -3.792460178e+00 
4.28 -3.798911223e+00 
4.30 -3.805127700e+00 
4.32 -3.811245365e+00 
4.34 -3.817476069e+00 
4.36 -3.824032255e+00 
4.38 -3.831061232e+00 
4.40 -3.838605899e+00 
4.42 -3.846599820e+00 
4.44 -3.854895325e+00 
4.46 -3.863316236e+00 
4.48 -3.871738014e+00 
4.50 -3.880142421e+00 
4.52 -3.888615826e+00 
4.54 -3.897316538e+00 
4.56 -3.906417870e+00 
4.58 -3.916045960e+00 
4.60 -3.926227786e+00 
4.62 -3.936858301e+00 
4.64 -3.947692542e+00 
4.66 -3.958365872e+00 
4.68 -3.968446067e+00 
4.70 -3.977528374e+00 
4.72 -3.985316989e+00 
4.74 -3.991668186e+00 
4.76 -3.996599712e+00 
4.78 -4.000267479e+00 
4.80 -4.002920714e+00 
4.82 -4.004850337e+00 
4.84 -4.006342064e+00 
4.86 -4.007639959e+00 
4.88 -4.008921621e+00 
4.90 -4.010284120e+00 
4.92 -4.011739721e+00 
4.94 -4.013233451e+00 
4.96 -4.014684013e+00 
4.98 -4.016006599e+00 
5.00 -4.017130405e+00 
5.02 -4.018018073e+00 
5.04 -4.018674812e+00 
5.06 -4.019143945e+00 
5.08 -4.019495745e+00 
5.10 -4.019813514e+00 
5.12 -4.020180235e+00 
5.14 -4.020667777e+00 
5.16 -4.021329287e+00 
5.18 -4.022194554e+00 
5.20 -4.023267735e+00 
5.22 -4.024527076e+00 
5.24 -4.025931824e+00 
5.26 -4.027434436e+00 
5.28 -4.028985488e+00 
5.30 -4.030537642e+00 
5.32 -4.032050000e+00 
5.34 -4.033492305e+00 
5.36 -4.034848420e+00 
5.38 -4.036118600e+00 
5.40 -4.037320291e+00 
5.42 -4.038487375e+00 
5.44 -4.039668053e+00 
5.46 -4.040921631e+00 
5.48 -4.042314555e+00 
5.50 -4.043915924e+00 
5.52 -4.045792635e+00 
5.54 -4.048004179e+00 
5.56 -4.050597122e+00 
5.58 -4.053599434e+00 
5.60 -4.057014902e+00 
5.62 -4.060818055e+00 
5.64 -4.064950321e+00 
5.66 -4.069318543e+00 
5.68 -4.073797272e+00 
5.70 -4.078237460e+00 
5.72 -4.082481731e+00 
5.74 -4.086380936e+00 
5.76 -4.089811158e+00 
5.78 -4.092688255e+00 
5.80 -4.094976747e+00 
5.82 -4.096691332e+00 
5.84 -4.097891422e+00 
5.86 -4.098670778e+00 
5.88 -4.099145057e+00 
5.90 -4.099439726e+00 
5.92 -4.099679916e+00 
5.94 -4.099982791e+00 
5.96 -4.100452367e+00 
5.98 -4.101176280e+00 
6.00 -4.102223767e+00