# 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 = CuPt2Ti # 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 3.007039586e+02 3.007039586e+02 1.30 2.800463898e+02 2.800463898e+02 1.32 2.607754032e+02 2.607754032e+02 1.34 2.428019582e+02 2.428019582e+02 1.36 2.260385020e+02 2.260385020e+02 1.38 2.103967767e+02 2.103967767e+02 1.40 1.957918991e+02 1.957918991e+02 1.42 1.821466599e+02 1.821466599e+02 1.44 1.693906995e+02 1.693906995e+02 1.46 1.574581229e+02 1.574581229e+02 1.48 1.462885033e+02 1.462885033e+02 1.50 1.358288339e+02 1.358288339e+02 1.52 1.260320957e+02 1.260320957e+02 1.54 1.168534254e+02 1.168534254e+02 1.56 1.082475183e+02 1.082475183e+02 1.58 1.001684942e+02 1.001684942e+02 1.60 9.257118355e+01 9.257118355e+01 1.62 8.541278845e+01 8.541278845e+01 1.64 7.865459833e+01 7.865459833e+01 1.66 7.226366630e+01 7.226366630e+01 1.68 6.621411365e+01 6.621411365e+01 1.70 6.048742513e+01 6.048742513e+01 1.72 5.507110497e+01 5.507110497e+01 1.74 4.995567831e+01 4.995567831e+01 1.76 4.513123955e+01 4.513123955e+01 1.78 4.064246809e+01 4.064246809e+01 1.80 3.653421577e+01 3.653421577e+01 1.82 3.277318687e+01 3.277318687e+01 1.84 2.932878543e+01 2.932878543e+01 1.86 2.617448057e+01 2.617448057e+01 1.88 2.328763360e+01 2.328763360e+01 1.90 2.064828126e+01 2.064828126e+01 1.92 1.823761797e+01 1.823761797e+01 1.94 1.603700826e+01 1.603700826e+01 1.96 1.402792557e+01 1.402792557e+01 1.98 1.219256393e+01 1.219256393e+01 2.00 1.051455973e+01 1.051455973e+01 2.02 8.979409289e+00 8.979409289e+00 2.04 7.574497942e+00 7.574497942e+00 2.06 6.288874915e+00 6.288874915e+00 2.08 5.112941788e+00 5.112941788e+00 2.10 4.038155089e+00 4.038155089e+00 2.12 3.056776565e+00 3.056776565e+00 2.14 2.161683894e+00 2.161683894e+00 2.16 1.346252113e+00 1.346252113e+00 2.18 6.043055195e-01 6.043055195e-01 2.20 -6.988105704e-02 -6.988105704e-02 2.22 -6.815635662e-01 -6.815635662e-01 2.24 -1.235516905e+00 -1.235516905e+00 2.26 -1.736041760e+00 -1.736041760e+00 2.28 -2.186994832e+00 -2.186994832e+00 2.30 -2.591843271e+00 -2.591843271e+00 2.32 -2.953739255e+00 -2.953739255e+00 2.34 -3.275599709e+00 -3.275599709e+00 2.36 -3.560174217e+00 -3.560174217e+00 2.38 -3.810092621e+00 -3.810092621e+00 2.40 -4.027896626e+00 -4.027896626e+00 2.42 -4.216064774e+00 -4.216064774e+00 2.44 -4.377035245e+00 -4.377035245e+00 2.46 -4.513224283e+00 -4.513224283e+00 2.48 -4.627034507e+00 -4.627034507e+00 2.50 -4.720847914e+00 -4.720847914e+00 2.52 -4.796999004e+00 -4.796999004e+00 2.54 -4.859054143e+00 -4.859054143e+00 2.56 -4.910338948e+00 -4.910338948e+00 2.58 -4.951988906e+00 -4.951988906e+00 2.60 -4.984969954e+00 -4.984969954e+00 2.62 -5.010043202e+00 -5.010043202e+00 2.64 -5.027765953e+00 -5.027765953e+00 2.66 -5.038554205e+00 -5.038554205e+00 2.68 -5.042700975e+00 -5.042700975e+00 2.70 -5.040372159e+00 -5.040372159e+00 2.72 -5.031718831e+00 -5.031718831e+00 2.74 -5.016893848e+00 -5.016893848e+00 2.76 -4.996054318e+00 -4.996054318e+00 2.78 -4.969357862e+00 -4.969357862e+00 2.80 -4.936959362e+00 -4.936959362e+00 2.82 -4.899012577e+00 -4.899012577e+00 2.84 -4.855744987e+00 -4.855744987e+00 2.86 -4.807402732e+00 -4.807402732e+00 2.88 -4.754017132e+00 -4.754017132e+00 2.90 -4.695721036e+00 -4.695721036e+00 2.92 -4.632775678e+00 -4.632775678e+00 2.94 -4.565576751e+00 -4.565576751e+00 2.96 -4.494648274e+00 -4.494648274e+00 2.98 -4.420620301e+00 -4.420620301e+00 3.00 -4.344190143e+00 -4.344190143e+00 3.02 -4.266071427e+00 -4.266071427e+00 3.04 -4.186943231e+00 -4.186943231e+00 3.06 -4.107409330e+00 -4.107409330e+00 3.08 -4.027953313e+00 -4.027953313e+00 3.10 -3.948921755e+00 -3.948921755e+00 3.12 -3.870528776e+00 -3.870528776e+00 3.14 -3.792874798e+00 -3.792874798e+00 3.16 -3.715972193e+00 -3.715972193e+00 3.18 -3.639772903e+00 -3.639772903e+00 3.20 -3.564192829e+00 -3.564192829e+00 3.22 -3.489131292e+00 -3.489131292e+00 3.24 -3.414485225e+00 -3.414485225e+00 3.26 -3.340158881e+00 -3.340158881e+00 3.28 -3.266070168e+00 -3.266070168e+00 3.30 -3.192154619e+00 -3.192154619e+00 3.32 -3.118367704e+00 -3.118367704e+00 3.34 -3.044685878e+00 -3.044685878e+00 3.36 -2.971106573e+00 -2.971106573e+00 3.38 -2.897650665e+00 -2.897650665e+00 3.40 -2.824417478e+00 -2.824417478e+00 3.42 -2.751561584e+00 -2.751561584e+00 3.44 -2.679231744e+00 -2.679231744e+00 3.46 -2.607569303e+00 -2.607569303e+00 3.48 -2.536708083e+00 -2.536708083e+00 3.50 -2.466773884e+00 -2.466773884e+00 3.52 -2.397883596e+00 -2.397883596e+00 3.54 -2.330143830e+00 -2.330143830e+00 3.56 -2.263649077e+00 -2.263649077e+00 3.58 -2.198479528e+00 -2.198479528e+00 3.60 -2.134698920e+00 -2.134698920e+00 3.62 -2.072352887e+00 -2.072352887e+00 3.64 -2.011468307e+00 -2.011468307e+00 3.66 -1.952053918e+00 -1.952053918e+00 3.68 -1.894102240e+00 -1.894102240e+00 3.70 -1.837592548e+00 -1.837592548e+00 3.72 -1.782494484e+00 -1.782494484e+00 3.74 -1.728771836e+00 -1.728771836e+00 3.76 -1.676386079e+00 -1.676386079e+00 3.78 -1.625299319e+00 -1.625299319e+00 3.80 -1.575476425e+00 -1.575476425e+00 3.82 -1.526886226e+00 -1.526886226e+00 3.84 -1.479501760e+00 -1.479501760e+00 3.86 -1.433299701e+00 -1.433299701e+00 3.88 -1.388259199e+00 -1.388259199e+00 3.90 -1.344360430e+00 -1.344360430e+00 3.92 -1.301583205e+00 -1.301583205e+00 3.94 -1.259906055e+00 -1.259906055e+00 3.96 -1.219305691e+00 -1.219305691e+00 3.98 -1.179757366e+00 -1.179757366e+00 4.00 -1.141235749e+00 -1.141235749e+00 4.02 -1.103716311e+00 -1.103716311e+00 4.04 -1.067176954e+00 -1.067176954e+00 4.06 -1.031599652e+00 -1.031599652e+00 4.08 -9.969718089e-01 -9.969718089e-01 4.10 -9.632870716e-01 -9.632870716e-01 4.12 -9.305456744e-01 -9.305456744e-01 4.14 -8.987534736e-01 -8.987534736e-01 4.16 -8.679206541e-01 -8.679206541e-01 4.18 -8.380594345e-01 -8.380594345e-01 4.20 -8.091813229e-01 -8.091813229e-01 4.22 -7.812941995e-01 -7.812941995e-01 4.24 -7.543996028e-01 -7.543996028e-01 4.26 -7.284905805e-01 -7.284905805e-01 4.28 -7.035503637e-01 -7.035503637e-01 4.30 -6.795519825e-01 -6.795519825e-01 4.32 -6.564587774e-01 -6.564587774e-01 4.34 -6.342256244e-01 -6.342256244e-01 4.36 -6.128006088e-01 -6.128006088e-01 4.38 -5.921268628e-01 -5.921268628e-01 4.40 -5.721443197e-01 -5.721443197e-01 4.42 -5.527912113e-01 -5.527912113e-01 4.44 -5.340052260e-01 -5.340052260e-01 4.46 -5.157243259e-01 -5.157243259e-01 4.48 -4.978872870e-01 -4.978872870e-01 4.50 -4.804340634e-01 -4.804340634e-01 4.52 -4.633060897e-01 -4.633060897e-01 4.54 -4.464466293e-01 -4.464466293e-01 4.56 -4.298012552e-01 -4.298012552e-01 4.58 -4.133185237e-01 -4.133185237e-01 4.60 -3.969508708e-01 -3.969508708e-01 4.62 -3.806557382e-01 -3.806557382e-01 4.64 -3.643969031e-01 -3.643969031e-01 4.66 -3.481459649e-01 -3.481459649e-01 4.68 -3.318839103e-01 -3.318839103e-01 4.70 -3.156026522e-01 -3.156026522e-01 4.72 -2.993064057e-01 -2.993064057e-01 4.74 -2.830127428e-01 -2.830127428e-01 4.76 -2.667531551e-01 -2.667531551e-01 4.78 -2.505729596e-01 -2.505729596e-01 4.80 -2.345303753e-01 -2.345303753e-01 4.82 -2.186949539e-01 -2.186949539e-01 4.84 -2.031447309e-01 -2.031447309e-01 4.86 -1.879631102e-01 -1.879631102e-01 4.88 -1.732350092e-01 -1.732350092e-01 4.90 -1.590428508e-01 -1.590428508e-01 4.92 -1.454626914e-01 -1.454626914e-01 4.94 -1.325608124e-01 -1.325608124e-01 4.96 -1.203910486e-01 -1.203910486e-01 4.98 -1.089930253e-01 -1.089930253e-01 5.00 -9.839136521e-02 -9.839136521e-02 5.02 -8.859581610e-02 -8.859581610e-02 5.04 -7.960216339e-02 -7.960216339e-02 5.06 -7.139373903e-02 -7.139373903e-02 5.08 -6.394331970e-02 -6.394331970e-02 5.10 -5.721521820e-02 -5.721521820e-02 5.12 -5.116740146e-02 -5.116740146e-02 5.14 -4.575350759e-02 -4.575350759e-02 5.16 -4.092467357e-02 -4.092467357e-02 5.18 -3.663112030e-02 -3.663112030e-02 5.20 -3.282346814e-02 -3.282346814e-02 5.22 -2.945378489e-02 -2.945378489e-02 5.24 -2.647637356e-02 -2.647637356e-02 5.26 -2.384826122e-02 -2.384826122e-02 5.28 -2.152947236e-02 -2.152947236e-02 5.30 -1.948365440e-02 -1.948365440e-02 5.32 -1.767776485e-02 -1.767776485e-02 5.34 -1.608221042e-02 -1.608221042e-02 5.36 -1.467044442e-02 -1.467044442e-02 5.38 -1.341882045e-02 -1.341882045e-02 5.40 -1.230640236e-02 -1.230640236e-02 5.42 -1.131474550e-02 -1.131474550e-02 5.44 -1.042766708e-02 -1.042766708e-02 5.46 -9.631018217e-03 -9.631018217e-03 5.48 -8.912466074e-03 -8.912466074e-03 5.50 -8.261291382e-03 -8.261291382e-03 5.52 -7.668204198e-03 -7.668204198e-03 5.54 -7.125177818e-03 -7.125177818e-03 5.56 -6.625306883e-03 -6.625306883e-03 5.58 -6.162680207e-03 -6.162680207e-03 5.60 -5.732270472e-03 -5.732270472e-03 5.62 -5.329839687e-03 -5.329839687e-03 5.64 -4.951857055e-03 -4.951857055e-03 5.66 -4.595426566e-03 -4.595426566e-03 5.68 -4.258221519e-03 -4.258221519e-03 5.70 -3.938423253e-03 -3.938423253e-03 5.72 -3.634661657e-03 -3.634661657e-03 5.74 -3.345955502e-03 -3.345955502e-03 5.76 -3.071659517e-03 -3.071659517e-03 5.78 -2.811841714e-03 -2.811841714e-03 5.80 -2.566406457e-03 -2.566406457e-03 5.82 -2.335083091e-03 -2.335083091e-03 5.84 -2.117706126e-03 -2.117706126e-03 5.86 -1.914163797e-03 -1.914163797e-03 5.88 -1.724352149e-03 -1.724352149e-03 5.90 -1.548136448e-03 -1.548136448e-03 5.92 -1.385321341e-03 -1.385321341e-03 5.94 -1.235630582e-03 -1.235630582e-03 5.96 -1.098696413e-03 -1.098696413e-03 5.98 -9.740579324e-04 -9.740579324e-04 6.00 -8.611671387e-04 -8.611671387e-04