# 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 = AgCu2
# 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  3.128218821e+06 
0.80  2.796284775e+06 
0.82  2.496285422e+06 
0.84  2.224531487e+06 
0.86  1.977787971e+06 
0.88  1.753226068e+06 
0.90  1.548428816e+06 
0.92  1.361335597e+06 
0.94  1.190132275e+06 
0.96  1.033214685e+06 
0.98  8.890813098e+05 
1.00  7.564925169e+05 
1.02  6.343163678e+05 
1.04  5.215714019e+05 
1.06  4.173920533e+05 
1.08  3.230948151e+05 
1.10  2.490765671e+05 
1.12  1.925534165e+05 
1.14  1.492536829e+05 
1.16  1.159716199e+05 
1.18  9.031032672e+04 
1.20  7.047651776e+04 
1.22  5.510761361e+04 
1.24  4.316701521e+04 
1.26  3.387164132e+04 
1.28  2.662175966e+04 
1.30  2.095614009e+04 
1.32  1.651982487e+04 
1.34  1.303821900e+04 
1.36  1.030196437e+04 
1.38  8.148494778e+03 
1.40  6.451006769e+03 
1.42  5.111559020e+03 
1.44  4.053550688e+03 
1.46  3.216816028e+03 
1.48  2.554044634e+03 
1.50  2.028539832e+03 
1.52  1.611633339e+03 
1.54  1.280723294e+03 
1.56  1.017912162e+03 
1.58  8.090829314e+02 
1.60  6.431201643e+02 
1.62  5.112088148e+02 
1.64  4.063527709e+02 
1.66  3.229943660e+02 
1.68  2.566759495e+02 
1.70  2.038924537e+02 
1.72  1.618903681e+02 
1.74  1.284726824e+02 
1.76  1.018854671e+02 
1.78  8.073097005e+01 
1.80  6.389789506e+01 
1.82  5.050662901e+01 
1.84  3.985488109e+01 
1.86  3.138221375e+01 
1.88  2.464165175e+01 
1.90  1.927639058e+01 
1.92  1.500272249e+01 
1.94  1.159521921e+01 
1.96  8.874110680e+00 
1.98  6.697743500e+00 
2.00  4.952633313e+00 
2.02  3.548843482e+00 
2.04  2.416389296e+00 
2.06  1.499811067e+00 
2.08  7.550330175e-01 
2.10  1.470883085e-01 
2.12 -3.517138440e-01 
2.14 -7.632631816e-01 
2.16 -1.104832823e+00 
2.18 -1.389986767e+00 
2.20 -1.629404423e+00 
2.22 -1.831501152e+00 
2.24 -2.002891023e+00 
2.26 -2.148728429e+00 
2.28 -2.273049640e+00 
2.30 -2.379081357e+00 
2.32 -2.469377747e+00 
2.34 -2.545971275e+00 
2.36 -2.610491557e+00 
2.38 -2.664258521e+00 
2.40 -2.708355090e+00 
2.42 -2.743683566e+00 
2.44 -2.771009126e+00 
2.46 -2.790984144e+00 
2.48 -2.804177689e+00 
2.50 -2.811099326e+00 
2.52 -2.812146372e+00 
2.54 -2.807746556e+00 
2.56 -2.798312755e+00 
2.58 -2.784235221e+00 
2.60 -2.765885424e+00 
2.62 -2.743545822e+00 
2.64 -2.717471684e+00 
2.66 -2.687987458e+00 
2.68 -2.655404694e+00 
2.70 -2.620022346e+00 
2.72 -2.582126972e+00 
2.74 -2.541992827e+00 
2.76 -2.499881883e+00 
2.78 -2.456043830e+00 
2.80 -2.410716072e+00 
2.82 -2.364123752e+00 
2.84 -2.316479800e+00 
2.86 -2.267985038e+00 
2.88 -2.218828308e+00 
2.90 -2.169186665e+00 
2.92 -2.119225595e+00 
2.94 -2.069099287e+00 
2.96 -2.018915865e+00 
2.98 -1.968716520e+00 
3.00 -1.918619550e+00 
3.02 -1.868738489e+00 
3.04 -1.819177692e+00 
3.06 -1.770004241e+00 
3.08 -1.721147670e+00 
3.10 -1.672664860e+00 
3.12 -1.624630034e+00 
3.14 -1.577110627e+00 
3.16 -1.530167646e+00 
3.18 -1.483856008e+00 
3.20 -1.438224886e+00 
3.22 -1.393318039e+00 
3.24 -1.349174131e+00 
3.26 -1.305827052e+00 
3.28 -1.263306214e+00 
3.30 -1.221636846e+00 
3.32 -1.180840276e+00 
3.34 -1.140934203e+00 
3.36 -1.101932949e+00 
3.38 -1.063847714e+00 
3.40 -1.026686804e+00 
3.42 -9.904558588e-01 
3.44 -9.551580654e-01 
3.46 -9.207912169e-01 
3.48 -8.873082973e-01 
3.50 -8.546924546e-01 
3.52 -8.229407041e-01 
3.54 -7.920485363e-01 
3.56 -7.620100582e-01 
3.58 -7.328181257e-01 
3.60 -7.044644676e-01 
3.62 -6.769398016e-01 
3.64 -6.502339428e-01 
3.66 -6.243359045e-01 
3.68 -5.992339932e-01 
3.70 -5.749158955e-01 
3.72 -5.513687599e-01 
3.74 -5.285792724e-01 
3.76 -5.065337262e-01 
3.78 -4.852180867e-01 
3.80 -4.646180506e-01 
3.82 -4.447191017e-01 
3.84 -4.255065608e-01 
3.86 -4.069656322e-01 
3.88 -3.890814465e-01 
3.90 -3.718390992e-01 
3.92 -3.552236863e-01 
3.94 -3.392203362e-01 
3.96 -3.238142393e-01 
3.98 -3.089906743e-01 
4.00 -2.947350319e-01 
4.02 -2.810328361e-01 
4.04 -2.678697638e-01 
4.06 -2.552316614e-01 
4.08 -2.431045600e-01 
4.10 -2.314746888e-01 
4.12 -2.203284865e-01 
4.14 -2.096526118e-01 
4.16 -1.994339514e-01 
4.18 -1.896596280e-01 
4.20 -1.803170059e-01 
4.22 -1.713936963e-01 
4.24 -1.628775614e-01 
4.26 -1.547567170e-01 
4.28 -1.470195352e-01 
4.30 -1.396546457e-01 
4.32 -1.326458856e-01 
4.34 -1.259262492e-01 
4.36 -1.194717343e-01 
4.38 -1.132747165e-01 
4.40 -1.073277443e-01 
4.42 -1.016235389e-01 
4.44 -9.615499317e-02 
4.46 -9.091517060e-02 
4.48 -8.589730370e-02 
4.50 -8.109479258e-02 
4.52 -7.650120398e-02 
4.54 -7.211026678e-02 
4.56 -6.791587093e-02 
4.58 -6.391206591e-02 
4.60 -6.009305826e-02 
4.62 -5.645320897e-02 
4.64 -5.298685051e-02 
4.66 -4.968850055e-02 
4.68 -4.655318186e-02 
4.70 -4.357599154e-02 
4.72 -4.075210925e-02 
4.74 -3.807680865e-02 
4.76 -3.554546628e-02 
4.78 -3.315356832e-02 
4.80 -3.089671579e-02 
4.82 -2.877062627e-02 
4.84 -2.677113661e-02 
4.86 -2.489420388e-02 
4.88 -2.313590514e-02 
4.90 -2.149243648e-02 
4.92 -1.996011143e-02 
4.94 -1.853535884e-02 
4.96 -1.721472036e-02 
4.98 -1.599484782e-02 
5.00 -1.485239307e-02 
5.02 -1.376507300e-02 
5.04 -1.273128010e-02 
5.06 -1.174943624e-02 
5.08 -1.081799419e-02 
5.10 -9.935439214e-03 
5.12 -9.100290317e-03 
5.14 -8.311101161e-03 
5.16 -7.566460731e-03 
5.18 -6.864993749e-03 
5.20 -6.205360888e-03 
5.22 -5.586258809e-03 
5.24 -5.006420040e-03 
5.26 -4.464612732e-03 
5.28 -3.959640301e-03 
5.30 -3.490340976e-03 
5.32 -3.055587269e-03 
5.34 -2.654285386e-03 
5.36 -2.285374572e-03 
5.38 -1.947826431e-03 
5.40 -1.640644198e-03 
5.42 -1.362861992e-03 
5.44 -1.113544054e-03 
5.46 -8.917839631e-04 
5.48 -6.967038525e-04 
5.50 -5.274536222e-04 
5.52 -3.832101498e-04 
5.54 -2.631765080e-04 
5.56 -1.665811879e-04 
5.58 -9.267733270e-05 
5.60 -4.074198223e-05 
5.62 -1.007533093e-05 
5.64  2.597696284e-11 
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