# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I
# implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1
# composition = IdRb2
# 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  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  1.642477010e+07 
1.32  1.304140077e+07 
1.34  1.039051658e+07 
1.36  8.306014484e+06 
1.38  6.661123828e+06 
1.40  5.358707996e+06 
1.42  4.324048465e+06 
1.44  3.499457056e+06 
1.46  2.840231304e+06 
1.48  2.311609230e+06 
1.50  1.886465371e+06 
1.52  1.543563223e+06 
1.54  1.266221323e+06 
1.56  1.041295985e+06 
1.58  8.583984298e+05 
1.60  7.092928690e+05 
1.62  5.874313378e+05 
1.64  4.875926110e+05 
1.66  4.056021383e+05 
1.68  3.381131364e+05 
1.70  2.824350616e+05 
1.72  2.363996919e+05 
1.74  1.982553017e+05 
1.76  1.665829448e+05 
1.78  1.402306796e+05 
1.80  1.182611101e+05 
1.82  9.990969150e+04 
1.84  8.455135608e+04 
1.86  7.167407131e+04 
1.88  6.085746549e+04 
1.90  5.175574376e+04 
1.92  4.408373828e+04 
1.94  3.760594004e+04 
1.96  3.212743981e+04 
1.98  2.748661384e+04 
2.00  2.354921950e+04 
2.02  2.020346742e+04 
2.04  1.735618444e+04 
2.06  1.492954759e+04 
2.08  1.285844469e+04 
2.10  1.108830905e+04 
2.12  9.573335764e+03 
2.14  8.275001509e+03 
2.16  7.160872144e+03 
2.18  6.203590783e+03 
2.20  5.380048717e+03 
2.22  4.670696989e+03 
2.24  4.058979991e+03 
2.26  3.530846568e+03 
2.28  3.074348901e+03 
2.30  2.679331858e+03 
2.32  2.337144336e+03 
2.34  2.040406971e+03 
2.36  1.782816942e+03 
2.38  1.558984070e+03 
2.40  1.364293244e+03 
2.42  1.194793273e+03 
2.44  1.047082044e+03 
2.46  9.182412819e+02 
2.48  8.057608164e+02 
2.50  7.074788288e+02 
2.52  6.215310340e+02 
2.54  5.463083645e+02 
2.56  4.804207071e+02 
2.58  4.226655330e+02 
2.60  3.720010399e+02 
2.62  3.275254752e+02 
2.64  2.884570556e+02 
2.66  2.541145210e+02 
2.68  2.239068698e+02 
2.70  1.973199206e+02 
2.72  1.739059209e+02 
2.74  1.532746192e+02 
2.76  1.350855850e+02 
2.78  1.190415953e+02 
2.80  1.048829340e+02 
2.82  9.238247238e+01 
2.84  8.134132588e+01 
2.86  7.158509516e+01 
2.88  6.296181488e+01 
2.90  5.533748057e+01 
2.92  4.859549643e+01 
2.94  4.263127070e+01 
2.96  3.735404885e+01 
2.98  3.268399082e+01 
3.00  2.855081100e+01 
3.02  2.489259415e+01 
3.04  2.165476366e+01 
3.06  1.878918201e+01 
3.08  1.625336563e+01 
3.10  1.400979921e+01 
3.12  1.202533629e+01 
3.14  1.027068543e+01 
3.16  8.719922352e+00 
3.18  7.350008593e+00 
3.20  6.140645274e+00 
3.22  5.073999378e+00 
3.24  4.134122161e+00 
3.26  3.306875691e+00 
3.28  2.579721666e+00 
3.30  1.941534399e+00 
3.32  1.382624819e+00 
3.34  8.939482849e-01 
3.36  4.677836724e-01 
3.38  9.720532050e-02 
3.40 -2.239472675e-01 
3.42 -5.011573085e-01 
3.44 -7.393083715e-01 
3.46 -9.427529545e-01 
3.48 -1.115373052e+00 
3.50 -1.260633269e+00 
3.52 -1.381621709e+00 
3.54 -1.481112654e+00 
3.56 -1.561583487e+00 
3.58 -1.625250463e+00 
3.60 -1.674099316e+00 
3.62 -1.709910346e+00 
3.64 -1.734280486e+00 
3.66 -1.748642713e+00 
3.68 -1.754403761e+00 
3.70 -1.752583381e+00 
3.72 -1.744205507e+00 
3.74 -1.730202213e+00 
3.76 -1.711409282e+00 
3.78 -1.688574340e+00 
3.80 -1.662364688e+00 
3.82 -1.633374590e+00 
3.84 -1.602131815e+00 
3.86 -1.569103516e+00 
3.88 -1.534701569e+00 
3.90 -1.499287442e+00 
3.92 -1.463176659e+00 
3.94 -1.426636933e+00 
3.96 -1.389897855e+00 
3.98 -1.353176652e+00 
4.00 -1.316642972e+00 
4.02 -1.280438615e+00 
4.04 -1.244680334e+00 
4.06 -1.209462315e+00 
4.08 -1.174860464e+00 
4.10 -1.140932697e+00 
4.12 -1.107721982e+00 
4.14 -1.075258408e+00 
4.16 -1.043561082e+00 
4.18 -1.012639867e+00 
4.20 -9.824969452e-01 
4.22 -9.531282277e-01 
4.24 -9.245246032e-01 
4.26 -8.966730363e-01 
4.28 -8.695575209e-01 
4.30 -8.431598984e-01 
4.32 -8.174605480e-01 
4.34 -7.924389623e-01 
4.36 -7.680742169e-01 
4.38 -7.443453450e-01 
4.40 -7.212316307e-01 
4.42 -6.987128294e-01 
4.44 -6.767693272e-01 
4.46 -6.553822495e-01 
4.48 -6.345335283e-01 
4.50 -6.144474776e-01 
4.52 -5.949013639e-01 
4.54 -5.757855867e-01 
4.56 -5.570952845e-01 
4.58 -5.388249697e-01 
4.60 -5.209686475e-01 
4.62 -5.035199256e-01 
4.64 -4.864721128e-01 
4.66 -4.698183104e-01 
4.68 -4.535514938e-01 
4.70 -4.376645876e-01 
4.72 -4.221505325e-01 
4.74 -4.070023456e-01 
4.76 -3.922131733e-01 
4.78 -3.777763378e-01 
4.80 -3.636853780e-01 
4.82 -3.499340824e-01 
4.84 -3.365165175e-01 
4.86 -3.234270491e-01 
4.88 -3.106603584e-01 
4.90 -2.982114523e-01 
4.92 -2.860756676e-01 
4.94 -2.742486710e-01 
4.96 -2.627259369e-01 
4.98 -2.515031347e-01 
5.00 -2.405782222e-01 
5.02 -2.299480620e-01 
5.04 -2.196097763e-01 
5.06 -2.095607199e-01 
5.08 -1.997984520e-01 
5.10 -1.903207040e-01 
5.12 -1.811253469e-01 
5.14 -1.722103559e-01 
5.16 -1.635737749e-01 
5.18 -1.552134997e-01 
5.20 -1.471276229e-01 
5.22 -1.393143938e-01 
5.24 -1.317717673e-01 
5.26 -1.244975924e-01 
5.28 -1.174895816e-01 
5.30 -1.107452819e-01 
5.32 -1.042620490e-01 
5.34 -9.803702424e-02 
5.36 -9.206711449e-02 
5.38 -8.634897585e-02 
5.40 -8.087900077e-02 
5.42 -7.565330878e-02 
5.44 -7.066774096e-02 
5.46 -6.591785810e-02 
5.48 -6.139894246e-02 
5.50 -5.710600302e-02 
5.52 -5.303378414e-02 
5.54 -4.917677729e-02 
5.56 -4.552923573e-02 
5.58 -4.208519186e-02 
5.60 -3.883847684e-02 
5.62 -3.578274234e-02 
5.64 -3.291148395e-02 
5.66 -3.021806591e-02 
5.68 -2.769574693e-02 
5.70 -2.533770669e-02 
5.72 -2.313707260e-02 
5.74 -2.108694673e-02 
5.76 -1.918043228e-02 
5.78 -1.741065963e-02 
5.80 -1.577081146e-02 
5.82 -1.425414685e-02 
5.84 -1.285402405e-02 
5.86 -1.156392178e-02 
5.88 -1.037745898e-02 
5.90 -9.288412697e-03 
5.92 -8.290734220e-03 
5.94 -7.378563286e-03 
5.96 -6.546240345e-03 
5.98 -5.788316882e-03 
6.00 -5.099563810e-03