# 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 = Ni2Pd
# 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  4.211203760e+06 
0.80  3.799247058e+06 
0.82  3.427264693e+06 
0.84  3.090549381e+06 
0.86  2.785053913e+06 
0.88  2.507326345e+06 
0.90  2.254386761e+06 
0.92  2.023599388e+06 
0.94  1.812626798e+06 
0.96  1.619413163e+06 
0.98  1.442189704e+06 
1.00  1.279373608e+06 
1.02  1.129572779e+06 
1.04  9.915263323e+05 
1.06  8.641264800e+05 
1.08  7.464214880e+05 
1.10  6.375381047e+05 
1.12  5.367058598e+05 
1.14  4.432241970e+05 
1.16  3.564463650e+05 
1.18  2.771716663e+05 
1.20  2.142468773e+05 
1.22  1.659274082e+05 
1.24  1.287276026e+05 
1.26  1.000298828e+05 
1.28  7.784799884e+04 
1.30  6.066888973e+04 
1.32  4.733983727e+04 
1.34  3.698005145e+04 
1.36  2.891525963e+04 
1.38  2.262922937e+04 
1.40  1.772410681e+04 
1.42  1.389161506e+04 
1.44  1.089315403e+04 
1.46  8.545202450e+03 
1.48  6.705415809e+03 
1.50  5.262852807e+03 
1.52  4.131036521e+03 
1.54  3.242692576e+03 
1.56  2.545241551e+03 
1.58  1.997495168e+03 
1.60  1.567065246e+03 
1.62  1.228821166e+03 
1.64  9.630517098e+02 
1.66  7.542721421e+02 
1.68  5.903125785e+02 
1.70  4.616025355e+02 
1.72  3.606089645e+02 
1.74  2.813726913e+02 
1.76  2.192396150e+02 
1.78  1.705567690e+02 
1.80  1.324399279e+02 
1.82  1.026108421e+02 
1.84  7.929097831e+01 
1.86  6.107907444e+01 
1.88  4.687090122e+01 
1.90  3.579258430e+01 
1.92  2.716059425e+01 
1.94  2.044121444e+01 
1.96  1.521471765e+01 
1.98  1.115157195e+01 
2.00  7.993348732e+00 
2.02  5.537745123e+00 
2.04  3.626715474e+00 
2.06  2.137062796e+00 
2.08  9.729861386e-01 
2.10  6.018273136e-02 
2.12 -6.588328576e-01 
2.14 -1.228338654e+00 
2.16 -1.682302336e+00 
2.18 -2.046698810e+00 
2.20 -2.341409344e+00 
2.22 -2.581602060e+00 
2.24 -2.778807393e+00 
2.26 -2.941760839e+00 
2.28 -3.077061360e+00 
2.30 -3.189684011e+00 
2.32 -3.283377530e+00 
2.34 -3.360958044e+00 
2.36 -3.424554687e+00 
2.38 -3.475808684e+00 
2.40 -3.515994573e+00 
2.42 -3.546122994e+00 
2.44 -3.566997727e+00 
2.46 -3.579265118e+00 
2.48 -3.583528045e+00 
2.50 -3.580329544e+00 
2.52 -3.570171159e+00 
2.54 -3.553519626e+00 
2.56 -3.530746685e+00 
2.58 -3.502270329e+00 
2.60 -3.468522974e+00 
2.62 -3.429929449e+00 
2.64 -3.386907150e+00 
2.66 -3.339865397e+00 
2.68 -3.289204344e+00 
2.70 -3.235313660e+00 
2.72 -3.178571141e+00 
2.74 -3.119341383e+00 
2.76 -3.057974568e+00 
2.78 -2.994805437e+00 
2.80 -2.930152290e+00 
2.82 -2.864221122e+00 
2.84 -2.797211483e+00 
2.86 -2.729385621e+00 
2.88 -2.660988841e+00 
2.90 -2.592249661e+00 
2.92 -2.523380077e+00 
2.94 -2.454575926e+00 
2.96 -2.386017327e+00 
2.98 -2.317849594e+00 
3.00 -2.250104925e+00 
3.02 -2.182899379e+00 
3.04 -2.116355835e+00 
3.06 -2.050585026e+00 
3.08 -1.985686180e+00 
3.10 -1.921747662e+00 
3.12 -1.858847604e+00 
3.14 -1.797054541e+00 
3.16 -1.736428019e+00 
3.18 -1.677019199e+00 
3.20 -1.618871437e+00 
3.22 -1.562020848e+00 
3.24 -1.506496844e+00 
3.26 -1.452322655e+00 
3.28 -1.399515820e+00 
3.30 -1.348056785e+00 
3.32 -1.297906005e+00 
3.34 -1.249069505e+00 
3.36 -1.201549848e+00 
3.38 -1.155345944e+00 
3.40 -1.110453400e+00 
3.42 -1.066864839e+00 
3.44 -1.024570208e+00 
3.46 -9.835570591e-01 
3.48 -9.438108149e-01 
3.50 -9.053150138e-01 
3.52 -8.680515387e-01 
3.54 -8.320008278e-01 
3.56 -7.971420703e-01 
3.58 -7.634533863e-01 
3.60 -7.309119929e-01 
3.62 -6.994943557e-01 
3.64 -6.691763291e-01 
3.66 -6.399332833e-01 
3.68 -6.117402206e-01 
3.70 -5.845718813e-01 
3.72 -5.584028392e-01 
3.74 -5.332075891e-01 
3.76 -5.089606244e-01 
3.78 -4.856365076e-01 
3.80 -4.632099335e-01 
3.82 -4.416557853e-01 
3.84 -4.209491844e-01 
3.86 -4.010655346e-01 
3.88 -3.819805611e-01 
3.90 -3.636703439e-01 
3.92 -3.461113477e-01 
3.94 -3.292804464e-01 
3.96 -3.131549454e-01 
3.98 -2.977125987e-01 
4.00 -2.829316242e-01 
4.02 -2.687907156e-01 
4.04 -2.552690514e-01 
4.06 -2.423463022e-01 
4.08 -2.300026354e-01 
4.10 -2.182187179e-01 
4.12 -2.069757176e-01 
4.14 -1.962553027e-01 
4.16 -1.860396400e-01 
4.18 -1.763113920e-01 
4.20 -1.670537132e-01 
4.22 -1.582165790e-01 
4.24 -1.497508854e-01 
4.26 -1.416441163e-01 
4.28 -1.338841213e-01 
4.30 -1.264591058e-01 
4.32 -1.193576245e-01 
4.34 -1.125685755e-01 
4.36 -1.060811934e-01 
4.38 -9.988504284e-02 
4.40 -9.397001161e-02 
4.42 -8.832630372e-02 
4.44 -8.294443218e-02 
4.46 -7.781511471e-02 
4.48 -7.292943272e-02 
4.50 -6.827886245e-02 
4.52 -6.385513392e-02 
4.54 -5.965022959e-02 
4.56 -5.565638211e-02 
4.58 -5.186607111e-02 
4.60 -4.827201926e-02 
4.62 -4.486718778e-02 
4.64 -4.164477173e-02 
4.66 -3.859819569e-02 
4.68 -3.572110506e-02 
4.70 -3.300736196e-02 
4.72 -3.045103994e-02 
4.74 -2.804641793e-02 
4.76 -2.578797423e-02 
4.78 -2.367038053e-02 
4.80 -2.168849587e-02 
4.82 -1.983727856e-02 
4.84 -1.811153851e-02 
4.86 -1.650403364e-02 
4.88 -1.499419771e-02 
4.90 -1.357596980e-02 
4.92 -1.224617855e-02 
4.94 -1.100173179e-02 
4.96 -9.839619833e-03 
4.98 -8.756917739e-03 
5.00 -7.750786744e-03 
5.02 -6.818474945e-03 
5.04 -5.957317390e-03 
5.06 -5.164735652e-03 
5.08 -4.438236992e-03 
5.10 -3.775413161e-03 
5.12 -3.173938932e-03 
5.14 -2.631570396e-03 
5.16 -2.146143083e-03 
5.18 -1.715569949e-03 
5.20 -1.337839253e-03 
5.22 -1.011012368e-03 
5.24 -7.332215420e-04 
5.26 -5.026676373e-04 
5.28 -3.176178571e-04 
5.30 -1.764034851e-04 
5.32 -7.741764296e-05 
5.34 -1.911307988e-05 
5.36  2.353020578e-10 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
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