# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt
# implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1
# composition = Pd2Pt
# 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 2026-08-31

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  3.575937727e+06 
0.80  3.246460257e+06 
0.82  2.949139341e+06 
0.84  2.680181938e+06 
0.86  2.436372950e+06 
0.88  2.214908430e+06 
0.90  2.013353185e+06 
0.92  1.829577493e+06 
0.94  1.661698003e+06 
0.96  1.508059066e+06 
0.98  1.367234793e+06 
1.00  1.237959967e+06 
1.02  1.119121056e+06 
1.04  1.009707757e+06 
1.06  9.088286246e+05 
1.08  8.157048263e+05 
1.10  7.296221309e+05 
1.12  6.499529248e+05 
1.14  5.761377191e+05 
1.16  5.076674555e+05 
1.18  4.440939364e+05 
1.20  3.850146504e+05 
1.22  3.300610392e+05 
1.24  2.788802968e+05 
1.26  2.311682371e+05 
1.28  1.866604770e+05 
1.30  1.478477261e+05 
1.32  1.160051836e+05 
1.34  9.106036458e+04 
1.36  7.157714053e+04 
1.38  5.633512111e+04 
1.40  4.439319331e+04 
1.42  3.502287524e+04 
1.44  2.765888707e+04 
1.46  2.186397942e+04 
1.48  1.729849256e+04 
1.50  1.369717948e+04 
1.52  1.085341629e+04 
1.54  8.605841539e+03 
1.56  6.827910465e+03 
1.58  5.420073218e+03 
1.60  4.303977477e+03 
1.62  3.418611744e+03 
1.64  2.715977514e+03 
1.66  2.158130339e+03 
1.68  1.715049927e+03 
1.70  1.363029921e+03 
1.72  1.083302777e+03 
1.74  8.609887316e+02 
1.76  6.842836750e+02 
1.78  5.438186323e+02 
1.80  4.321390758e+02 
1.82  3.433024330e+02 
1.84  2.726365918e+02 
1.86  2.164301866e+02 
1.88  1.717282016e+02 
1.90  1.361774663e+02 
1.92  1.079001133e+02 
1.94  8.540207683e+01 
1.96  6.750038225e+01 
1.98  5.325378275e+01 
2.00  4.191250389e+01 
2.02  3.287957957e+01 
2.04  2.567996861e+01 
2.06  1.993588407e+01 
2.08  1.534706877e+01 
2.10  1.167472314e+01 
2.12  8.729849535e+00 
2.14  6.362550497e+00 
2.16  4.453420820e+00 
2.18  2.908970774e+00 
2.20  1.655279402e+00 
2.22  6.337785297e-01 
2.24 -2.018963959e-01 
2.26 -8.884179631e-01 
2.28 -1.454773041e+00 
2.30 -1.923863523e+00 
2.32 -2.313781940e+00 
2.34 -2.638810945e+00 
2.36 -2.910239684e+00 
2.38 -3.137023355e+00 
2.40 -3.326274716e+00 
2.42 -3.483668472e+00 
2.44 -3.613754998e+00 
2.46 -3.720207214e+00 
2.48 -3.806014353e+00 
2.50 -3.873633568e+00 
2.52 -3.925108163e+00 
2.54 -3.962159436e+00 
2.56 -3.986257760e+00 
2.58 -3.998677341e+00 
2.60 -4.000538205e+00 
2.62 -3.992838236e+00 
2.64 -3.976477488e+00 
2.66 -3.952276529e+00 
2.68 -3.920990218e+00 
2.70 -3.883277630e+00 
2.72 -3.839748376e+00 
2.74 -3.791009721e+00 
2.76 -3.737631372e+00 
2.78 -3.680148632e+00 
2.80 -3.619064651e+00 
2.82 -3.554783408e+00 
2.84 -3.487666076e+00 
2.86 -3.418074737e+00 
2.88 -3.346388388e+00 
2.90 -3.272963377e+00 
2.92 -3.198132093e+00 
2.94 -3.122203878e+00 
2.96 -3.045465903e+00 
2.98 -2.968184047e+00 
3.00 -2.890603755e+00 
3.02 -2.812950909e+00 
3.04 -2.735432697e+00 
3.06 -2.658238482e+00 
3.08 -2.581540671e+00 
3.10 -2.505495583e+00 
3.12 -2.430244309e+00 
3.14 -2.355913554e+00 
3.16 -2.282616481e+00 
3.18 -2.210453523e+00 
3.20 -2.139513183e+00 
3.22 -2.069872812e+00 
3.24 -2.001599357e+00 
3.26 -1.934750088e+00 
3.28 -1.869373294e+00 
3.30 -1.805449979e+00 
3.32 -1.742921188e+00 
3.34 -1.681779208e+00 
3.36 -1.622037762e+00 
3.38 -1.563715460e+00 
3.40 -1.506825630e+00 
3.42 -1.451376763e+00 
3.44 -1.397372936e+00 
3.46 -1.344814205e+00 
3.48 -1.293696984e+00 
3.50 -1.244014388e+00 
3.52 -1.195756564e+00 
3.54 -1.148910995e+00 
3.56 -1.103462787e+00 
3.58 -1.059394933e+00 
3.60 -1.016688563e+00 
3.62 -9.753231666e-01 
3.64 -9.352768124e-01 
3.66 -8.965263383e-01 
3.68 -8.590475348e-01 
3.70 -8.228153106e-01 
3.72 -7.878038452e-01 
3.74 -7.539867293e-01 
3.76 -7.213370925e-01 
3.78 -6.898277205e-01 
3.80 -6.594311609e-01 
3.82 -6.301198208e-01 
3.84 -6.018660531e-01 
3.86 -5.746422363e-01 
3.88 -5.484208455e-01 
3.90 -5.231745156e-01 
3.92 -4.988760986e-01 
3.94 -4.754987143e-01 
3.96 -4.530157949e-01 
3.98 -4.314011245e-01 
4.00 -4.106288735e-01 
4.02 -3.906736285e-01 
4.04 -3.715104182e-01 
4.06 -3.531147351e-01 
4.08 -3.354625542e-01 
4.10 -3.185303476e-01 
4.12 -3.022950973e-01 
4.14 -2.867343046e-01 
4.16 -2.718259971e-01 
4.18 -2.575487340e-01 
4.20 -2.438816089e-01 
4.22 -2.308042509e-01 
4.24 -2.182968244e-01 
4.26 -2.063400272e-01 
4.28 -1.949150876e-01 
4.30 -1.840037597e-01 
4.32 -1.735883185e-01 
4.34 -1.636515535e-01 
4.36 -1.541767619e-01 
4.38 -1.451477411e-01 
4.40 -1.365487803e-01 
4.42 -1.283646516e-01 
4.44 -1.205806015e-01 
4.46 -1.131823407e-01 
4.48 -1.061560348e-01 
4.50 -9.948829407e-02 
4.52 -9.316616359e-02 
4.54 -8.717711262e-02 
4.56 -8.150902373e-02 
4.58 -7.615018293e-02 
4.60 -7.108926921e-02 
4.62 -6.631534403e-02 
4.64 -6.181784091e-02 
4.66 -5.756762081e-02 
4.68 -5.352891928e-02 
4.70 -4.969386890e-02 
4.72 -4.605496640e-02 
4.74 -4.260510054e-02 
4.76 -3.933742916e-02 
4.78 -3.624533422e-02 
4.80 -3.332241697e-02 
4.82 -3.056249325e-02 
4.84 -2.795958873e-02 
4.86 -2.550793146e-02 
4.88 -2.320194805e-02 
4.90 -2.103625841e-02 
4.92 -1.900567029e-02 
4.94 -1.710517375e-02 
4.96 -1.532987567e-02 
4.98 -1.367478090e-02 
5.00 -1.213554860e-02 
5.02 -1.070802715e-02 
5.04 -9.388159495e-03 
5.06 -8.171991672e-03 
5.08 -7.055679252e-03 
5.10 -6.035491802e-03 
5.12 -5.107815774e-03 
5.14 -4.269156063e-03 
5.16 -3.516136441e-03 
5.18 -2.845499076e-03 
5.20 -2.254103291e-03 
5.22 -1.738923714e-03 
5.24 -1.297047937e-03 
5.26 -9.256737884e-04 
5.28 -6.221063179e-04 
5.30 -3.837545505e-04 
5.32 -2.081280940e-04 
5.34 -9.283364186e-05 
5.36 -3.557114956e-05 
5.38 -1.261599570e-05 
5.40 -1.381161579e-06 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00