# 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 = NiPd2
# 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  3.129926938e+06 
0.80  2.836578547e+06 
0.82  2.571626908e+06 
0.84  2.331717629e+06 
0.86  2.113996058e+06 
0.88  1.916003287e+06 
0.90  1.735601997e+06 
0.92  1.570909291e+06 
0.94  1.420280635e+06 
0.96  1.282255137e+06 
0.98  1.155582458e+06 
1.00  1.039145547e+06 
1.02  9.319577193e+05 
1.04  8.331288662e+05 
1.06  7.418761921e+05 
1.08  6.575198349e+05 
1.10  5.794280224e+05 
1.12  5.070485631e+05 
1.14  4.398856884e+05 
1.16  3.774780590e+05 
1.18  3.194346804e+05 
1.20  2.654025241e+05 
1.22  2.152060331e+05 
1.24  1.702522079e+05 
1.26  1.337365209e+05 
1.28  1.052475897e+05 
1.30  8.297524012e+04 
1.32  6.552267321e+04 
1.34  5.181757226e+04 
1.36  4.103525703e+04 
1.38  3.253885294e+04 
1.40  2.583373961e+04 
1.42  2.053440502e+04 
1.44  1.633910902e+04 
1.46  1.301326394e+04 
1.48  1.037362794e+04 
1.50  8.276120607e+03 
1.52  6.607541274e+03 
1.54  5.278948917e+03 
1.56  4.220126417e+03 
1.58  3.375427508e+03 
1.60  2.700588418e+03 
1.62  2.161116770e+03 
1.64  1.729652702e+03 
1.66  1.384425874e+03 
1.68  1.108103499e+03 
1.70  8.868740439e+02 
1.72  7.097114991e+02 
1.74  5.677675635e+02 
1.76  4.540191046e+02 
1.78  3.628658783e+02 
1.80  2.898084511e+02 
1.82  2.312236160e+02 
1.84  1.842557422e+02 
1.86  1.466141637e+02 
1.88  1.164583819e+02 
1.90  9.230949051e+01 
1.92  7.297829797e+01 
1.94  5.751060103e+01 
1.96  4.514012459e+01 
1.98  3.525163309e+01 
2.00  2.735100520e+01 
2.02  2.104154102e+01 
2.04  1.600491703e+01 
2.06  1.198584997e+01 
2.08  8.779745686e+00 
2.10  6.222771706e+00 
2.12  4.183748394e+00 
2.14  2.557732220e+00 
2.16  1.260567045e+00 
2.18  2.260689362e-01 
2.20 -5.985641946e-01 
2.22 -1.255533851e+00 
2.24 -1.778524817e+00 
2.26 -2.194388352e+00 
2.28 -2.524500579e+00 
2.30 -2.785857685e+00 
2.32 -2.991957957e+00 
2.34 -3.153488341e+00 
2.36 -3.278910971e+00 
2.38 -3.374953318e+00 
2.40 -3.446947735e+00 
2.42 -3.499123926e+00 
2.44 -3.534842325e+00 
2.46 -3.556779844e+00 
2.48 -3.567077356e+00 
2.50 -3.567456441e+00 
2.52 -3.559311534e+00 
2.54 -3.543775848e+00 
2.56 -3.521715898e+00 
2.58 -3.493896312e+00 
2.60 -3.460983723e+00 
2.62 -3.423552648e+00 
2.64 -3.382105925e+00 
2.66 -3.337090307e+00 
2.68 -3.288908267e+00 
2.70 -3.237877055e+00 
2.72 -3.184284446e+00 
2.74 -3.128444091e+00 
2.76 -3.070649680e+00 
2.78 -3.011177470e+00 
2.80 -2.950287969e+00 
2.82 -2.888161795e+00 
2.84 -2.824973962e+00 
2.86 -2.760940875e+00 
2.88 -2.696265802e+00 
2.90 -2.631139443e+00 
2.92 -2.565740410e+00 
2.94 -2.500235638e+00 
2.96 -2.434780752e+00 
2.98 -2.369513521e+00 
3.00 -2.304525951e+00 
3.02 -2.239933442e+00 
3.04 -2.175848399e+00 
3.06 -2.112373783e+00 
3.08 -2.049603498e+00 
3.10 -1.987622791e+00 
3.12 -1.926508646e+00 
3.14 -1.866330175e+00 
3.16 -1.807149015e+00 
3.18 -1.749019715e+00 
3.20 -1.691990125e+00 
3.22 -1.636101775e+00 
3.24 -1.581390249e+00 
3.26 -1.527885556e+00 
3.28 -1.475612486e+00 
3.30 -1.424528259e+00 
3.32 -1.374555337e+00 
3.34 -1.325710018e+00 
3.36 -1.278005741e+00 
3.38 -1.231452267e+00 
3.40 -1.186055957e+00 
3.42 -1.141820027e+00 
3.44 -1.098744798e+00 
3.46 -1.056827937e+00 
3.48 -1.016064681e+00 
3.50 -9.764480544e-01 
3.52 -9.379690721e-01 
3.54 -9.006169346e-01 
3.56 -8.643792098e-01 
3.58 -8.292420053e-01 
3.60 -7.951901293e-01 
3.62 -7.622072427e-01 
3.64 -7.302760001e-01 
3.66 -6.993781816e-01 
3.68 -6.694948164e-01 
3.70 -6.406062962e-01 
3.72 -6.126924813e-01 
3.74 -5.857327984e-01 
3.76 -5.597063307e-01 
3.78 -5.345919006e-01 
3.80 -5.103681464e-01 
3.82 -4.870135916e-01 
3.84 -4.645067086e-01 
3.86 -4.428259767e-01 
3.88 -4.219499346e-01 
3.90 -4.018572279e-01 
3.92 -3.825266516e-01 
3.94 -3.639371890e-01 
3.96 -3.460680456e-01 
3.98 -3.288986798e-01 
4.00 -3.124088294e-01 
4.02 -2.965785358e-01 
4.04 -2.813881641e-01 
4.06 -2.668184211e-01 
4.08 -2.528503703e-01 
4.10 -2.394654448e-01 
4.12 -2.266454580e-01 
4.14 -2.143726117e-01 
4.16 -2.026295032e-01 
4.18 -1.913991304e-01 
4.20 -1.806648950e-01 
4.22 -1.704106045e-01 
4.24 -1.606204737e-01 
4.26 -1.512791236e-01 
4.28 -1.423715808e-01 
4.30 -1.338832751e-01 
4.32 -1.258000353e-01 
4.34 -1.181080862e-01 
4.36 -1.107940443e-01 
4.38 -1.038449131e-01 
4.40 -9.724802019e-02 
4.42 -9.099083445e-02 
4.44 -8.506165477e-02 
4.46 -7.944914496e-02 
4.48 -7.414225280e-02 
4.50 -6.913022204e-02 
4.52 -6.440260037e-02 
4.54 -5.994924391e-02 
4.56 -5.576031897e-02 
4.58 -5.182630147e-02 
4.60 -4.813797450e-02 
4.62 -4.468642438e-02 
4.64 -4.146303551e-02 
4.66 -3.844051242e-02 
4.68 -3.558487502e-02 
4.70 -3.289005396e-02 
4.72 -3.035037921e-02 
4.74 -2.796036431e-02 
4.76 -2.571470171e-02 
4.78 -2.360825817e-02 
4.80 -2.163607004e-02 
4.82 -1.979333891e-02 
4.84 -1.807542743e-02 
4.86 -1.647507714e-02 
4.88 -1.497165181e-02 
4.90 -1.355905945e-02 
4.92 -1.223412796e-02 
4.94 -1.099378762e-02 
4.96 -9.835011947e-03 
4.98 -8.754614901e-03 
5.00 -7.749962702e-03 
5.02 -6.818539773e-03 
5.04 -5.957862114e-03 
5.06 -5.165487595e-03 
5.08 -4.439024082e-03 
5.10 -3.776135736e-03 
5.12 -3.174547744e-03 
5.14 -2.632049739e-03 
5.16 -2.146498097e-03 
5.18 -1.715817319e-03 
5.20 -1.338000627e-03 
5.22 -1.011109933e-03 
5.24 -7.332752742e-04 
5.26 -5.026938331e-04 
5.28 -3.176286175e-04 
5.30 -1.764068752e-04 
5.32 -7.741830547e-05 
5.34 -1.911312060e-05 
5.36  2.353020580e-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