# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = PtW2
# 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 2024-04-11

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  5.864006870e+02 
1.16  5.422124004e+02 
1.18  5.016601782e+02 
1.20  4.644532389e+02 
1.22  4.302858649e+02 
1.24  3.988517897e+02 
1.26  3.698602753e+02 
1.28  3.430485315e+02 
1.30  3.181901270e+02 
1.32  2.950991367e+02 
1.34  2.736289508e+02 
1.36  2.536646375e+02 
1.38  2.351109172e+02 
1.40  2.178805332e+02 
1.42  2.018863362e+02 
1.44  1.870383617e+02 
1.46  1.732459097e+02 
1.48  1.604221659e+02 
1.50  1.484876075e+02 
1.52  1.373704860e+02 
1.54  1.270054920e+02 
1.56  1.173323753e+02 
1.58  1.082951029e+02 
1.60  9.984122011e+01 
1.62  9.192132970e+01 
1.64  8.448907558e+01 
1.66  7.750188529e+01 
1.68  7.092218429e+01 
1.70  6.471849210e+01 
1.72  5.886588567e+01 
1.74  5.334560112e+01 
1.76  4.814521051e+01 
1.78  4.325562245e+01 
1.80  3.866953787e+01 
1.82  3.438115894e+01 
1.84  3.039609758e+01 
1.86  2.678074763e+01 
1.88  2.352199585e+01 
1.90  2.058847018e+01 
1.92  1.794849387e+01 
1.94  1.557138613e+01 
1.96  1.342857642e+01 
1.98  1.149433414e+01 
2.00  9.746035733e+00 
2.02  8.164014765e+00 
2.04  6.731142519e+00 
2.06  5.432317344e+00 
2.08  4.254001167e+00 
2.10  3.183877656e+00 
2.12  2.210656435e+00 
2.14  1.324015523e+00 
2.16  5.146476176e-01 
2.18 -2.256488778e-01 
2.20 -9.039028886e-01 
2.22 -1.525979200e+00 
2.24 -2.096676707e+00 
2.26 -2.619895197e+00 
2.28 -3.098832420e+00 
2.30 -3.536175421e+00 
2.32 -3.934262937e+00 
2.34 -4.295200955e+00 
2.36 -4.620746158e+00 
2.38 -4.912898498e+00 
2.40 -5.173731042e+00 
2.42 -5.405242201e+00 
2.44 -5.609383175e+00 
2.46 -5.788081406e+00 
2.48 -5.943259642e+00 
2.50 -6.076823487e+00 
2.52 -6.190178578e+00 
2.54 -6.284283253e+00 
2.56 -6.360161222e+00 
2.58 -6.418840289e+00 
2.60 -6.461269332e+00 
2.62 -6.488371602e+00 
2.64 -6.502196714e+00 
2.66 -6.503307017e+00 
2.68 -6.491688890e+00 
2.70 -6.467326506e+00 
2.72 -6.430234520e+00 
2.74 -6.380481761e+00 
2.76 -6.318204889e+00 
2.78 -6.243614696e+00 
2.80 -6.156999413e+00 
2.82 -6.058729472e+00 
2.84 -5.949267180e+00 
2.86 -5.829182866e+00 
2.88 -5.699176731e+00 
2.90 -5.560102944e+00 
2.92 -5.412989977e+00 
2.94 -5.259049452e+00 
2.96 -5.099665717e+00 
2.98 -4.936360815e+00 
3.00 -4.770734336e+00 
3.02 -4.604383908e+00 
3.04 -4.438817459e+00 
3.06 -4.275370910e+00 
3.08 -4.115143633e+00 
3.10 -3.958959536e+00 
3.12 -3.807355997e+00 
3.14 -3.660597882e+00 
3.16 -3.518710628e+00 
3.18 -3.381525376e+00 
3.20 -3.248729358e+00 
3.22 -3.119916233e+00 
3.24 -2.994632688e+00 
3.26 -2.872419212e+00 
3.28 -2.752844197e+00 
3.30 -2.635531292e+00 
3.32 -2.520181810e+00 
3.34 -2.406798120e+00 
3.36 -2.295883277e+00 
3.38 -2.188027000e+00 
3.40 -2.083828181e+00 
3.42 -1.983863418e+00 
3.44 -1.888651620e+00 
3.46 -1.798619616e+00 
3.48 -1.714073626e+00 
3.50 -1.635180652e+00 
3.52 -1.561962186e+00 
3.54 -1.494300657e+00 
3.56 -1.431957003e+00 
3.58 -1.374596218e+00 
3.60 -1.321816987e+00 
3.62 -1.273181530e+00 
3.64 -1.228242507e+00 
3.66 -1.186564924e+00 
3.68 -1.147742101e+00 
3.70 -1.111405773e+00 
3.72 -1.077231049e+00 
3.74 -1.044937310e+00 
3.76 -1.014286241e+00 
3.78 -9.850780549e-01 
3.80 -9.571468071e-01 
3.82 -9.303554380e-01 
3.84 -9.045909948e-01 
3.86 -8.797602832e-01 
3.88 -8.557860798e-01 
3.90 -8.326039352e-01 
3.92 -8.101595432e-01 
3.94 -7.884066179e-01 
3.96 -7.673052057e-01 
3.98 -7.468203564e-01 
4.00 -7.269210841e-01 
4.02 -7.075795481e-01 
4.04 -6.887704427e-01 
4.06 -6.704704744e-01 
4.08 -6.526579550e-01 
4.10 -6.353128843e-01 
4.12 -6.184164876e-01 
4.14 -6.019493018e-01 
4.16 -5.858928417e-01 
4.18 -5.702292893e-01 
4.20 -5.549411887e-01 
4.22 -5.400112136e-01 
4.24 -5.254219796e-01 
4.26 -5.111558842e-01 
4.28 -4.971949630e-01 
4.30 -4.835207592e-01 
4.32 -4.701142016e-01 
4.34 -4.569554933e-01 
4.36 -4.440240112e-01 
4.38 -4.312982228e-01 
4.40 -4.187556235e-01 
4.42 -4.063727035e-01 
4.44 -3.941249552e-01 
4.46 -3.819869311e-01 
4.48 -3.699323693e-01 
4.50 -3.579344026e-01 
4.52 -3.459658695e-01 
4.54 -3.339997486e-01 
4.56 -3.220097330e-01 
4.58 -3.099709634e-01 
4.60 -2.978609270e-01 
4.62 -2.856605233e-01 
4.64 -2.733552791e-01 
4.66 -2.609366759e-01 
4.68 -2.484035265e-01 
4.70 -2.357633096e-01 
4.72 -2.230333423e-01 
4.74 -2.102416509e-01 
4.76 -1.974273850e-01 
4.78 -1.846406362e-01 
4.80 -1.719415466e-01 
4.82 -1.593986621e-01 
4.84 -1.470865482e-01 
4.86 -1.350828015e-01 
4.88 -1.234646561e-01 
4.90 -1.123054654e-01 
4.92 -1.016713659e-01 
4.94 -9.161841700e-02 
4.96 -8.219045343e-02 
4.98 -7.341779764e-02 
5.00 -6.531687320e-02 
5.02 -5.789066006e-02 
5.04 -5.112985209e-02 
5.06 -4.501452749e-02 
5.08 -3.951612519e-02 
5.10 -3.459953042e-02 
5.12 -3.022511200e-02 
5.14 -2.635058370e-02 
5.16 -2.293252936e-02 
5.18 -1.992738669e-02 
5.20 -1.729373764e-02 
5.22 -1.499218524e-02 
5.24 -1.298573513e-02 
5.26 -1.124016357e-02 
5.28 -9.724196420e-03 
5.30 -8.409544718e-03 
5.32 -7.270836642e-03 
5.34 -6.285478502e-03 
5.36 -5.433470837e-03 
5.38 -4.697199640e-03 
5.40 -4.061217517e-03 
5.42 -3.512025397e-03 
5.44 -3.037861984e-03 
5.46 -2.628505577e-03 
5.48 -2.275090919e-03 
5.50 -1.969942318e-03 
5.52 -1.706423300e-03 
5.54 -1.478802377e-03 
5.56 -1.282134059e-03 
5.58 -1.112154026e-03 
5.60 -9.651872167e-04 
5.62 -8.380675742e-04 
5.64 -7.280681998e-04 
5.66 -6.328407367e-04 
5.68 -5.503628806e-04 
5.70 -4.788930143e-04 
5.72 -4.169310571e-04 
5.74 -3.631847205e-04 
5.76 -3.165404512e-04 
5.78 -2.760384292e-04 
5.80 -2.408510685e-04 
5.82 -2.102645371e-04 
5.84 -1.836628755e-04 
5.86 -1.605143536e-04 
5.88 -1.403597479e-04 
5.90 -1.228022711e-04 
5.92 -1.074989191e-04 
5.94 -9.415303496e-05 
5.96 -8.250791774e-05 
5.98 -7.234132714e-05 
6.00 -6.346075778e-05