# 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 = Pt2Ti
# 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  4.620487092e+02 
1.16  4.298218939e+02 
1.18  3.999691611e+02 
1.20  3.722915937e+02 
1.22  3.465832713e+02 
1.24  3.226516798e+02 
1.26  3.003324495e+02 
1.28  2.794913998e+02 
1.30  2.600180141e+02 
1.32  2.418171793e+02 
1.34  2.248034547e+02 
1.36  2.088966694e+02 
1.38  1.940199490e+02 
1.40  1.801027645e+02 
1.42  1.670835917e+02 
1.44  1.549059061e+02 
1.46  1.435123019e+02 
1.48  1.328446248e+02 
1.50  1.228482856e+02 
1.52  1.134741800e+02 
1.54  1.046769122e+02 
1.56  9.641242735e+01 
1.58  8.863716194e+01 
1.60  8.130863351e+01 
1.62  7.438674865e+01 
1.64  6.783539405e+01 
1.66  6.162417139e+01 
1.68  5.573492345e+01 
1.70  5.027300890e+01 
1.72  4.526531278e+01 
1.74  4.068364710e+01 
1.76  3.649852133e+01 
1.78  3.267793903e+01 
1.80  2.918892724e+01 
1.82  2.600023499e+01 
1.84  2.308447958e+01 
1.86  2.041888543e+01 
1.88  1.798461905e+01 
1.90  1.576524110e+01 
1.92  1.374507495e+01 
1.94  1.190823518e+01 
1.96  1.023859463e+01 
1.98  8.720390998e+00 
2.00  7.338941985e+00 
2.02  6.081095962e+00 
2.04  4.935334082e+00 
2.06  3.891628772e+00 
2.08  2.941201014e+00 
2.10  2.076269758e+00 
2.12  1.289834061e+00 
2.14  5.755086686e-01 
2.16 -7.257323022e-02 
2.18 -6.597934219e-01 
2.20 -1.191043976e+00 
2.22 -1.670719045e+00 
2.24 -2.102726594e+00 
2.26 -2.490527726e+00 
2.28 -2.837199264e+00 
2.30 -3.145509372e+00 
2.32 -3.417994556e+00 
2.34 -3.657028113e+00 
2.36 -3.864877189e+00 
2.38 -4.043750268e+00 
2.40 -4.195837250e+00 
2.42 -4.323344594e+00 
2.44 -4.430900868e+00 
2.46 -4.521903130e+00 
2.48 -4.597516958e+00 
2.50 -4.658999339e+00 
2.52 -4.707643425e+00 
2.54 -4.744723334e+00 
2.56 -4.771438710e+00 
2.58 -4.788900553e+00 
2.60 -4.798046609e+00 
2.62 -4.799531414e+00 
2.64 -4.793861180e+00 
2.66 -4.781419882e+00 
2.68 -4.762500868e+00 
2.70 -4.737337296e+00 
2.72 -4.706125860e+00 
2.74 -4.669041856e+00 
2.76 -4.626219123e+00 
2.78 -4.577724638e+00 
2.80 -4.523632656e+00 
2.82 -4.464037117e+00 
2.84 -4.399059943e+00 
2.86 -4.328867410e+00 
2.88 -4.253694047e+00 
2.90 -4.173870924e+00 
2.92 -4.089852559e+00 
2.94 -4.002234336e+00 
2.96 -3.911751820e+00 
2.98 -3.819255726e+00 
3.00 -3.725662005e+00 
3.02 -3.631883788e+00 
3.04 -3.538758096e+00 
3.06 -3.446982375e+00 
3.08 -3.357073025e+00 
3.10 -3.269351895e+00 
3.12 -3.183958950e+00 
3.14 -3.100884356e+00 
3.16 -3.020008982e+00 
3.18 -2.941146032e+00 
3.20 -2.864076354e+00 
3.22 -2.788575208e+00 
3.24 -2.714430279e+00 
3.26 -2.641473336e+00 
3.28 -2.569670186e+00 
3.30 -2.499022937e+00 
3.32 -2.429531446e+00 
3.34 -2.361198292e+00 
3.36 -2.294031270e+00 
3.38 -2.228044288e+00 
3.40 -2.163257305e+00 
3.42 -2.099695863e+00 
3.44 -2.037390310e+00 
3.46 -1.976375231e+00 
3.48 -1.916688834e+00 
3.50 -1.858372221e+00 
3.52 -1.801468243e+00 
3.54 -1.746019645e+00 
3.56 -1.692066351e+00 
3.58 -1.639642043e+00 
3.60 -1.588770483e+00 
3.62 -1.539462258e+00 
3.64 -1.491712603e+00 
3.66 -1.445500720e+00 
3.68 -1.400790635e+00 
3.70 -1.357533301e+00 
3.72 -1.315669464e+00 
3.74 -1.275132794e+00 
3.76 -1.235852872e+00 
3.78 -1.197757801e+00 
3.80 -1.160776318e+00 
3.82 -1.124839413e+00 
3.84 -1.089881498e+00 
3.86 -1.055841208e+00 
3.88 -1.022661921e+00 
3.90 -9.902920830e-01 
3.92 -9.586854329e-01 
3.94 -9.278012227e-01 
3.96 -8.976044673e-01 
3.98 -8.680663263e-01 
4.00 -8.391645983e-01 
4.02 -8.108843198e-01 
4.04 -7.832183957e-01 
4.06 -7.561681373e-01 
4.08 -7.297435437e-01 
4.10 -7.039630888e-01 
4.12 -6.788531464e-01 
4.14 -6.544461114e-01 
4.16 -6.307783139e-01 
4.18 -6.078869442e-01 
4.20 -5.858065999e-01 
4.22 -5.645657517e-01 
4.24 -5.441835495e-01 
4.26 -5.246673617e-01 
4.28 -5.060113375e-01 
4.30 -4.881961106e-01 
4.32 -4.711895855e-01 
4.34 -4.549485958e-01 
4.36 -4.394211294e-01 
4.38 -4.245487998e-01 
4.40 -4.102692742e-01 
4.42 -3.965184504e-01 
4.44 -3.832322587e-01 
4.46 -3.703480502e-01 
4.48 -3.578055948e-01 
4.50 -3.455477575e-01 
4.52 -3.335209404e-01 
4.54 -3.216753872e-01 
4.56 -3.099654404e-01 
4.58 -2.983498260e-01 
4.60 -2.867920283e-01 
4.62 -2.752607893e-01 
4.64 -2.637307499e-01 
4.66 -2.521832191e-01 
4.68 -2.406070327e-01 
4.70 -2.289994310e-01 
4.72 -2.173668596e-01 
4.74 -2.057255743e-01 
4.76 -1.941019171e-01 
4.78 -1.825321371e-01 
4.80 -1.710615969e-01 
4.82 -1.597436422e-01 
4.84 -1.486372779e-01 
4.86 -1.378049229e-01 
4.88 -1.273094880e-01 
4.90 -1.172113799e-01 
4.92 -1.075656208e-01 
4.94 -9.841933735e-02 
4.96 -8.980982569e-02 
4.98 -8.176332870e-02 
5.00 -7.429457447e-02 
5.02 -6.740703672e-02 
5.04 -6.109380779e-02 
5.06 -5.533892893e-02 
5.08 -5.011900440e-02 
5.10 -4.540493266e-02 
5.12 -4.116361268e-02 
5.14 -3.735951820e-02 
5.16 -3.395607010e-02 
5.18 -3.091677110e-02 
5.20 -2.820609234e-02 
5.22 -2.579013108e-02 
5.24 -2.363705858e-02 
5.26 -2.171730344e-02 
5.28 -2.000357968e-02 
5.30 -1.847162536e-02 
5.32 -1.709953297e-02 
5.34 -1.586761871e-02 
5.36 -1.475831546e-02 
5.38 -1.375602850e-02 
5.40 -1.284697241e-02 
5.42 -1.201900238e-02 
5.44 -1.126144878e-02 
5.46 -1.056496085e-02 
5.48 -9.921363164e-03 
5.50 -9.323526680e-03 
5.52 -8.765255080e-03 
5.54 -8.241184500e-03 
5.56 -7.746704007e-03 
5.58 -7.277883969e-03 
5.60 -6.831415893e-03 
5.62 -6.404562739e-03 
5.64 -5.995116200e-03 
5.66 -5.601358259e-03 
5.68 -5.222024239e-03 
5.70 -4.856264614e-03 
5.72 -4.503603161e-03 
5.74 -4.163889637e-03 
5.76 -3.837257181e-03 
5.78 -3.524649478e-03 
5.80 -3.226668172e-03 
5.82 -2.943580425e-03 
5.84 -2.675704985e-03 
5.86 -2.423356325e-03 
5.88 -2.186794313e-03 
5.90 -1.966182060e-03 
5.92 -1.761554087e-03 
5.94 -1.572796096e-03 
5.96 -1.399636629e-03 
5.98 -1.241649860e-03 
6.00 -1.098267920e-03