# 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 = Cu2MoPt # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.107299894e+02 2.107299894e+02 1.30 1.948608730e+02 1.948608730e+02 1.32 1.801063375e+02 1.801063375e+02 1.34 1.664146612e+02 1.664146612e+02 1.36 1.537347633e+02 1.537347633e+02 1.38 1.420044496e+02 1.420044496e+02 1.40 1.311481082e+02 1.311481082e+02 1.42 1.210831826e+02 1.210831826e+02 1.44 1.117297398e+02 1.117297398e+02 1.46 1.030182161e+02 1.030182161e+02 1.48 9.489273375e+01 9.489273375e+01 1.50 8.730945893e+01 8.730945893e+01 1.52 8.023176710e+01 8.023176710e+01 1.54 7.362543610e+01 7.362543610e+01 1.56 6.745624537e+01 6.745624537e+01 1.58 6.169004828e+01 6.169004828e+01 1.60 5.629399842e+01 5.629399842e+01 1.62 5.123785932e+01 5.123785932e+01 1.64 4.649505319e+01 4.649505319e+01 1.66 4.204354392e+01 4.204354392e+01 1.68 3.786791657e+01 3.786791657e+01 1.70 3.399264256e+01 3.399264256e+01 1.72 3.044429989e+01 3.044429989e+01 1.74 2.720477608e+01 2.720477608e+01 1.76 2.425457180e+01 2.425457180e+01 1.78 2.157193185e+01 2.157193185e+01 1.80 1.913334317e+01 1.913334317e+01 1.82 1.691489900e+01 1.691489900e+01 1.84 1.489377344e+01 1.489377344e+01 1.86 1.304925973e+01 1.304925973e+01 1.88 1.136318856e+01 1.136318856e+01 1.90 9.819858977e+00 9.819858977e+00 1.92 8.405749256e+00 8.405749256e+00 1.94 7.109221734e+00 7.109221734e+00 1.96 5.920296031e+00 5.920296031e+00 1.98 4.830450561e+00 4.830450561e+00 2.00 3.832382886e+00 3.832382886e+00 2.02 2.919708385e+00 2.919708385e+00 2.04 2.086642831e+00 2.086642831e+00 2.06 1.327737636e+00 1.327737636e+00 2.08 6.377113027e-01 6.377113027e-01 2.10 1.138217656e-02 1.138217656e-02 2.12 -5.563170092e-01 -5.563170092e-01 2.14 -1.070271099e+00 -1.070271099e+00 2.16 -1.535091380e+00 -1.535091380e+00 2.18 -1.955031069e+00 -1.955031069e+00 2.20 -2.333930788e+00 -2.333930788e+00 2.22 -2.675204668e+00 -2.675204668e+00 2.24 -2.981865058e+00 -2.981865058e+00 2.26 -3.256577005e+00 -3.256577005e+00 2.28 -3.501731640e+00 -3.501731640e+00 2.30 -3.719524428e+00 -3.719524428e+00 2.32 -3.912020395e+00 -3.912020395e+00 2.34 -4.081190088e+00 -4.081190088e+00 2.36 -4.228912316e+00 -4.228912316e+00 2.38 -4.356907377e+00 -4.356907377e+00 2.40 -4.466968998e+00 -4.466968998e+00 2.42 -4.562001798e+00 -4.562001798e+00 2.44 -4.643275296e+00 -4.643275296e+00 2.46 -4.711769597e+00 -4.711769597e+00 2.48 -4.768445064e+00 -4.768445064e+00 2.50 -4.814247793e+00 -4.814247793e+00 2.52 -4.850106081e+00 -4.850106081e+00 2.54 -4.876898746e+00 -4.876898746e+00 2.56 -4.895314616e+00 -4.895314616e+00 2.58 -4.905924071e+00 -4.905924071e+00 2.60 -4.909223835e+00 -4.909223835e+00 2.62 -4.905617955e+00 -4.905617955e+00 2.64 -4.895423463e+00 -4.895423463e+00 2.66 -4.878894902e+00 -4.878894902e+00 2.68 -4.856255612e+00 -4.856255612e+00 2.70 -4.827723840e+00 -4.827723840e+00 2.72 -4.793526450e+00 -4.793526450e+00 2.74 -4.753907432e+00 -4.753907432e+00 2.76 -4.709448447e+00 -4.709448447e+00 2.78 -4.660269252e+00 -4.660269252e+00 2.80 -4.606246848e+00 -4.606246848e+00 2.82 -4.547320757e+00 -4.547320757e+00 2.84 -4.483492478e+00 -4.483492478e+00 2.86 -4.414834508e+00 -4.414834508e+00 2.88 -4.341505448e+00 -4.341505448e+00 2.90 -4.263766609e+00 -4.263766609e+00 2.92 -4.181994713e+00 -4.181994713e+00 2.94 -4.096698430e+00 -4.096698430e+00 2.96 -4.008521097e+00 -4.008521097e+00 2.98 -3.918184764e+00 -3.918184764e+00 3.00 -3.826444508e+00 -3.826444508e+00 3.02 -3.734038279e+00 -3.734038279e+00 3.04 -3.641650664e+00 -3.641650664e+00 3.06 -3.550108527e+00 -3.550108527e+00 3.08 -3.460193891e+00 -3.460193891e+00 3.10 -3.372359332e+00 -3.372359332e+00 3.12 -3.286775912e+00 -3.286775912e+00 3.14 -3.203402062e+00 -3.203402062e+00 3.16 -3.122050537e+00 -3.122050537e+00 3.18 -3.042446280e+00 -3.042446280e+00 3.20 -2.964272497e+00 -2.964272497e+00 3.22 -2.887205348e+00 -2.887205348e+00 3.24 -2.810939267e+00 -2.810939267e+00 3.26 -2.735205241e+00 -2.735205241e+00 3.28 -2.659784032e+00 -2.659784032e+00 3.30 -2.584515660e+00 -2.584515660e+00 3.32 -2.509305736e+00 -2.509305736e+00 3.34 -2.434128735e+00 -2.434128735e+00 3.36 -2.359027946e+00 -2.359027946e+00 3.38 -2.284111834e+00 -2.284111834e+00 3.40 -2.209546679e+00 -2.209546679e+00 3.42 -2.135545739e+00 -2.135545739e+00 3.44 -2.062355548e+00 -2.062355548e+00 3.46 -1.990240375e+00 -1.990240375e+00 3.48 -1.919466084e+00 -1.919466084e+00 3.50 -1.850284766e+00 -1.850284766e+00 3.52 -1.782921374e+00 -1.782921374e+00 3.54 -1.717563341e+00 -1.717563341e+00 3.56 -1.654353760e+00 -1.654353760e+00 3.58 -1.593388287e+00 -1.593388287e+00 3.60 -1.534715528e+00 -1.534715528e+00 3.62 -1.478340389e+00 -1.478340389e+00 3.64 -1.424229679e+00 -1.424229679e+00 3.66 -1.372319196e+00 -1.372319196e+00 3.68 -1.322521567e+00 -1.322521567e+00 3.70 -1.274734197e+00 -1.274734197e+00 3.72 -1.228846777e+00 -1.228846777e+00 3.74 -1.184747925e+00 -1.184747925e+00 3.76 -1.142330607e+00 -1.142330607e+00 3.78 -1.101496064e+00 -1.101496064e+00 3.80 -1.062156079e+00 -1.062156079e+00 3.82 -1.024233539e+00 -1.024233539e+00 3.84 -9.876613913e-01 -9.876613913e-01 3.86 -9.523803088e-01 -9.523803088e-01 3.88 -9.183355270e-01 -9.183355270e-01 3.90 -8.854734501e-01 -8.854734501e-01 3.92 -8.537386203e-01 -8.537386203e-01 3.94 -8.230715656e-01 -8.230715656e-01 3.96 -7.934078197e-01 -7.934078197e-01 3.98 -7.646782369e-01 -7.646782369e-01 4.00 -7.368104617e-01 -7.368104617e-01 4.02 -7.097312987e-01 -7.097312987e-01 4.04 -6.833696389e-01 -6.833696389e-01 4.06 -6.576595844e-01 -6.576595844e-01 4.08 -6.325434369e-01 -6.325434369e-01 4.10 -6.079742488e-01 -6.079742488e-01 4.12 -5.839177039e-01 -5.839177039e-01 4.14 -5.603530780e-01 -5.603530780e-01 4.16 -5.372732084e-01 -5.372732084e-01 4.18 -5.146833846e-01 -5.146833846e-01 4.20 -4.925992599e-01 -4.925992599e-01 4.22 -4.710440009e-01 -4.710440009e-01 4.24 -4.500450124e-01 -4.500450124e-01 4.26 -4.296306515e-01 -4.296306515e-01 4.28 -4.098273420e-01 -4.098273420e-01 4.30 -3.906574108e-01 -3.906574108e-01 4.32 -3.721378174e-01 -3.721378174e-01 4.34 -3.542797627e-01 -3.542797627e-01 4.36 -3.370889967e-01 -3.370889967e-01 4.38 -3.205665382e-01 -3.205665382e-01 4.40 -3.047094880e-01 -3.047094880e-01 4.42 -2.895116623e-01 -2.895116623e-01 4.44 -2.749638803e-01 -2.749638803e-01 4.46 -2.610538668e-01 -2.610538668e-01 4.48 -2.477658507e-01 -2.477658507e-01 4.50 -2.350800294e-01 -2.350800294e-01 4.52 -2.229720986e-01 -2.229720986e-01 4.54 -2.114130370e-01 -2.114130370e-01 4.56 -2.003692770e-01 -2.003692770e-01 4.58 -1.898033202e-01 -1.898033202e-01 4.60 -1.796747804e-01 -1.796747804e-01 4.62 -1.699417857e-01 -1.699417857e-01 4.64 -1.605626119e-01 -1.605626119e-01 4.66 -1.514974291e-01 -1.514974291e-01 4.68 -1.427100022e-01 -1.427100022e-01 4.70 -1.341692875e-01 -1.341692875e-01 4.72 -1.258514212e-01 -1.258514212e-01 4.74 -1.177391461e-01 -1.177391461e-01 4.76 -1.098228940e-01 -1.098228940e-01 4.78 -1.021019578e-01 -1.021019578e-01 4.80 -9.458351117e-02 -9.458351117e-02 4.82 -8.728169614e-02 -8.728169614e-02 4.84 -8.021627008e-02 -8.021627008e-02 4.86 -7.341089468e-02 -7.341089468e-02 4.88 -6.689118615e-02 -6.689118615e-02 4.90 -6.068268663e-02 -6.068268663e-02 4.92 -5.480892676e-02 -5.480892676e-02 4.94 -4.928974006e-02 -4.928974006e-02 4.96 -4.413995764e-02 -4.413995764e-02 4.98 -3.936856320e-02 -3.936856320e-02 5.00 -3.497833211e-02 -3.497833211e-02 5.02 -3.096592457e-02 -3.096592457e-02 5.04 -2.732236047e-02 -2.732236047e-02 5.06 -2.403377689e-02 -2.403377689e-02 5.08 -2.108235943e-02 -2.108235943e-02 5.10 -1.844734356e-02 -1.844734356e-02 5.12 -1.610600371e-02 -1.610600371e-02 5.14 -1.403456109e-02 -1.403456109e-02 5.16 -1.220891949e-02 -1.220891949e-02 5.18 -1.060510511e-02 -1.060510511e-02 5.20 -9.200523651e-03 -9.200523651e-03 5.22 -7.973796268e-03 -7.973796268e-03 5.24 -6.904920907e-03 -6.904920907e-03 5.26 -5.975447356e-03 -5.975447356e-03 5.28 -5.168555396e-03 -5.168555396e-03 5.30 -4.469059973e-03 -4.469059973e-03 5.32 -3.863363974e-03 -3.863363974e-03 5.34 -3.339375588e-03 -3.339375588e-03 5.36 -2.886403689e-03 -2.886403689e-03 5.38 -2.495041516e-03 -2.495041516e-03 5.40 -2.157046241e-03 -2.157046241e-03 5.42 -1.865219786e-03 -1.865219786e-03 5.44 -1.613294523e-03 -1.613294523e-03 5.46 -1.395826130e-03 -1.395826130e-03 5.48 -1.208094883e-03 -1.208094883e-03 5.50 -1.046015952e-03 -1.046015952e-03 5.52 -9.060587408e-04 -9.060587408e-04 5.54 -7.851749843e-04 -7.851749843e-04 5.56 -6.807351070e-04 -6.807351070e-04 5.58 -5.904722094e-04 -5.904722094e-04 5.60 -5.124330061e-04 -5.124330061e-04 5.62 -4.449350178e-04 -4.449350178e-04 5.64 -3.865293425e-04 -3.865293425e-04 5.66 -3.359683619e-04 -3.359683619e-04 5.68 -2.921777931e-04 -2.921777931e-04 5.70 -2.542325424e-04 -2.542325424e-04 5.72 -2.213358750e-04 -2.213358750e-04 5.74 -1.928014665e-04 -1.928014665e-04 5.76 -1.680379511e-04 -1.680379511e-04 5.78 -1.465356309e-04 -1.465356309e-04 5.80 -1.278550471e-04 -1.278550471e-04 5.82 -1.116171598e-04 -1.116171598e-04 5.84 -9.749490914e-05 -9.749490914e-05 5.86 -8.520596641e-05 -8.520596641e-05 5.88 -7.450650694e-05 -7.450650694e-05 5.90 -6.518586066e-05 -6.518586066e-05 5.92 -5.706191618e-05 -5.706191618e-05 5.94 -4.997717158e-05 -4.997717158e-05 5.96 -4.379534006e-05 -4.379534006e-05 5.98 -3.839843189e-05 -3.839843189e-05 6.00 -3.368424481e-05 -3.368424481e-05