# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh
# implementation = 2022--Xu-Y--Ni-Rh--LAMMPS--ipr1
# composition = Ni2Rh
# 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  5.460088235e+02 
1.04  5.045630535e+02 
1.06  4.662156162e+02 
1.08  4.307011626e+02 
1.10  3.978652657e+02 
1.12  3.675364032e+02 
1.14  3.395378756e+02 
1.16  3.136910394e+02 
1.18  2.898142472e+02 
1.20  2.677215837e+02 
1.22  2.472262133e+02 
1.24  2.281544622e+02 
1.26  2.103967995e+02 
1.28  1.938633164e+02 
1.30  1.784645318e+02 
1.32  1.641123974e+02 
1.34  1.507354626e+02 
1.36  1.382972662e+02 
1.38  1.267634790e+02 
1.40  1.160979173e+02 
1.42  1.062625257e+02 
1.44  9.721785219e+01 
1.46  8.892397816e+01 
1.48  8.134104666e+01 
1.50  7.442969740e+01 
1.52  6.815199349e+01 
1.54  6.247121146e+01 
1.56  5.673897250e+01 
1.58  4.935116539e+01 
1.60  4.259509477e+01 
1.62  3.651947482e+01 
1.64  3.109843596e+01 
1.66  2.629601916e+01 
1.68  2.206830205e+01 
1.70  1.836545644e+01 
1.72  1.513393058e+01 
1.74  1.231931805e+01 
1.76  9.877316541e+00 
1.78  7.771421436e+00 
1.80  5.967315834e+00 
1.82  4.432967280e+00 
1.84  3.138301820e+00 
1.86  2.054678585e+00 
1.88  1.154649184e+00 
1.90  4.117319061e-01 
1.92 -1.995917568e-01 
1.94 -7.038226186e-01 
1.96 -1.124800069e+00 
1.98 -1.485926324e+00 
2.00 -1.808935272e+00 
2.02 -2.110719561e+00 
2.04 -2.393305159e+00 
2.06 -2.654611977e+00 
2.08 -2.893180879e+00 
2.10 -3.108343723e+00 
2.12 -3.300264177e+00 
2.14 -3.469769805e+00 
2.16 -3.618145485e+00 
2.18 -3.746918074e+00 
2.20 -3.857631269e+00 
2.22 -3.951791873e+00 
2.24 -4.031029532e+00 
2.26 -4.097050237e+00 
2.28 -4.151522029e+00 
2.30 -4.195899695e+00 
2.32 -4.231336486e+00 
2.34 -4.258667558e+00 
2.36 -4.278434943e+00 
2.38 -4.290949546e+00 
2.40 -4.296410985e+00 
2.42 -4.295022419e+00 
2.44 -4.287083324e+00 
2.46 -4.273003930e+00 
2.48 -4.253282817e+00 
2.50 -4.228463267e+00 
2.52 -4.199068112e+00 
2.54 -4.165572251e+00 
2.56 -4.128373485e+00 
2.58 -4.087757049e+00 
2.60 -4.043911818e+00 
2.62 -3.997012980e+00 
2.64 -3.947255610e+00 
2.66 -3.894875984e+00 
2.68 -3.840166959e+00 
2.70 -3.783459534e+00 
2.72 -3.725096248e+00 
2.74 -3.665414753e+00 
2.76 -3.604729743e+00 
2.78 -3.543315754e+00 
2.80 -3.481406893e+00 
2.82 -3.419200409e+00 
2.84 -3.356854952e+00 
2.86 -3.294489599e+00 
2.88 -3.232184101e+00 
2.90 -3.169999892e+00 
2.92 -3.107997559e+00 
2.94 -3.046236577e+00 
2.96 -2.984771036e+00 
2.98 -2.923644591e+00 
3.00 -2.862882106e+00 
3.02 -2.802481239e+00 
3.04 -2.742418540e+00 
3.06 -2.682664581e+00 
3.08 -2.623204073e+00 
3.10 -2.564056339e+00 
3.12 -2.505291236e+00 
3.14 -2.447036295e+00 
3.16 -2.389473674e+00 
3.18 -2.332827503e+00 
3.20 -2.277341545e+00 
3.22 -2.223240546e+00 
3.24 -2.170684976e+00 
3.26 -2.119736185e+00 
3.28 -2.070400321e+00 
3.30 -2.022669611e+00 
3.32 -1.976523537e+00 
3.34 -1.931928036e+00 
3.36 -1.888834151e+00 
3.38 -1.847178465e+00 
3.40 -1.806885073e+00 
3.42 -1.767868393e+00 
3.44 -1.730036522e+00 
3.46 -1.693295448e+00 
3.48 -1.657553960e+00 
3.50 -1.622729308e+00 
3.52 -1.588750322e+00 
3.54 -1.555551147e+00 
3.56 -1.523068794e+00 
3.58 -1.491244192e+00 
3.60 -1.460023092e+00 
3.62 -1.429356642e+00 
3.64 -1.399202124e+00 
3.66 -1.369523896e+00 
3.68 -1.340294417e+00 
3.70 -1.311495225e+00 
3.72 -1.283117753e+00 
3.74 -1.255163697e+00 
3.76 -1.227644824e+00 
3.78 -1.200581914e+00 
3.80 -1.174002937e+00 
3.82 -1.147940331e+00 
3.84 -1.122427819e+00 
3.86 -1.097496874e+00 
3.88 -1.073174751e+00 
3.90 -1.049487655e+00 
3.92 -1.026459152e+00 
3.94 -1.004101442e+00 
3.96 -9.824145747e-01 
3.98 -9.613890822e-01 
4.00 -9.410070197e-01 
4.02 -9.212432573e-01 
4.04 -9.020670465e-01 
4.06 -8.834437583e-01 
4.08 -8.653366325e-01 
4.10 -8.477084887e-01 
4.12 -8.305233530e-01 
4.14 -8.137479878e-01 
4.16 -7.973533814e-01 
4.18 -7.813161431e-01 
4.20 -7.656199276e-01 
4.22 -7.502553775e-01 
4.24 -7.352156217e-01 
4.26 -7.204942027e-01 
4.28 -7.060849285e-01 
4.30 -6.919818542e-01 
4.32 -6.781792048e-01 
4.34 -6.646713610e-01 
4.36 -6.514509992e-01 
4.38 -6.384985473e-01 
4.40 -6.257887757e-01 
4.42 -6.132985321e-01 
4.44 -6.010064364e-01 
4.46 -5.888926485e-01 
4.48 -5.769386530e-01 
4.50 -5.651271349e-01 
4.52 -5.534418971e-01 
4.54 -5.418678116e-01 
4.56 -5.303908634e-01 
4.58 -5.189982372e-01 
4.60 -5.076784397e-01 
4.62 -4.964214824e-01 
4.64 -4.852190943e-01 
4.66 -4.740649419e-01 
4.68 -4.629548664e-01 
4.70 -4.518870742e-01 
4.72 -4.408623283e-01 
4.74 -4.298840283e-01 
4.76 -4.189582632e-01 
4.78 -4.080937391e-01 
4.80 -3.973016360e-01 
4.82 -3.865953336e-01 
4.84 -3.759900742e-01 
4.86 -3.655025223e-01 
4.88 -3.551502630e-01 
4.90 -3.449512599e-01 
4.92 -3.349232904e-01 
4.94 -3.250833572e-01 
4.96 -3.154471249e-01 
4.98 -3.060283547e-01 
5.00 -2.968383180e-01 
5.02 -2.878852174e-01 
5.04 -2.791734599e-01 
5.06 -2.707029873e-01 
5.08 -2.624691792e-01 
5.10 -2.544647716e-01 
5.12 -2.466805087e-01 
5.14 -2.391053981e-01 
5.16 -2.317269232e-01 
5.18 -2.245312743e-01 
5.20 -2.175035751e-01 
5.22 -2.106280733e-01 
5.24 -2.038883339e-01 
5.26 -1.972674242e-01 
5.28 -1.907481239e-01 
5.30 -1.843131277e-01 
5.32 -1.779452343e-01 
5.34 -1.716276538e-01 
5.36 -1.653444198e-01 
5.38 -1.590808557e-01 
5.40 -1.528240628e-01 
5.42 -1.465637819e-01 
5.44 -1.402935067e-01 
5.46 -1.340110028e-01 
5.48 -1.277224424e-01 
5.50 -1.214411089e-01 
5.52 -1.151846663e-01 
5.54 -1.089736526e-01 
5.56 -1.028299346e-01 
5.58 -9.677637708e-02 
5.60 -9.083622772e-02 
5.62 -8.503252363e-02 
5.64 -7.938748503e-02 
5.66 -7.392193666e-02 
5.68 -6.865474403e-02 
5.70 -6.360236700e-02 
5.72 -5.877849263e-02 
5.74 -5.419377398e-02 
5.76 -4.985583034e-02 
5.78 -4.576907567e-02 
5.80 -4.193419755e-02 
5.82 -3.834915375e-02 
5.84 -3.500935854e-02 
5.86 -3.190042639e-02 
5.88 -2.901589846e-02 
5.90 -2.635206768e-02 
5.92 -2.389984123e-02 
5.94 -2.164805908e-02 
5.96 -1.958392722e-02 
5.98 -1.769394749e-02 
6.00 -1.596460673e-02