# 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 = FeMoPd2 # 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 2.988744680e+02 2.988744680e+02 1.30 2.761038493e+02 2.761038493e+02 1.32 2.550470367e+02 2.550470367e+02 1.34 2.355659981e+02 2.355659981e+02 1.36 2.175372333e+02 2.175372333e+02 1.38 2.008487355e+02 2.008487355e+02 1.40 1.853975460e+02 1.853975460e+02 1.42 1.710879963e+02 1.710879963e+02 1.44 1.578311068e+02 1.578311068e+02 1.46 1.455448254e+02 1.455448254e+02 1.48 1.341540322e+02 1.341540322e+02 1.50 1.235898583e+02 1.235898583e+02 1.52 1.137887444e+02 1.137887444e+02 1.54 1.046917138e+02 1.046917138e+02 1.56 9.624392524e+01 9.624392524e+01 1.58 8.839438044e+01 8.839438044e+01 1.60 8.109577505e+01 8.109577505e+01 1.62 7.430455089e+01 7.430455089e+01 1.64 6.798108259e+01 6.798108259e+01 1.66 6.208979006e+01 6.208979006e+01 1.68 5.659912176e+01 5.659912176e+01 1.70 5.148314596e+01 5.148314596e+01 1.72 4.671834534e+01 4.671834534e+01 1.74 4.231155348e+01 4.231155348e+01 1.76 3.825250864e+01 3.825250864e+01 1.78 3.451752855e+01 3.451752855e+01 1.80 3.108441065e+01 3.108441065e+01 1.82 2.793220696e+01 2.793220696e+01 1.84 2.504094878e+01 2.504094878e+01 1.86 2.239139787e+01 2.239139787e+01 1.88 1.996491502e+01 1.996491502e+01 1.90 1.774350250e+01 1.774350250e+01 1.92 1.571000480e+01 1.571000480e+01 1.94 1.384837010e+01 1.384837010e+01 1.96 1.214384452e+01 1.214384452e+01 1.98 1.058302240e+01 1.058302240e+01 2.00 9.153763964e+00 9.153763964e+00 2.02 7.845045149e+00 7.845045149e+00 2.04 6.646801742e+00 6.646801742e+00 2.06 5.549799804e+00 5.549799804e+00 2.08 4.545540342e+00 4.545540342e+00 2.10 3.626197018e+00 3.626197018e+00 2.12 2.784583122e+00 2.784583122e+00 2.14 2.014139907e+00 2.014139907e+00 2.16 1.308933040e+00 1.308933040e+00 2.18 6.636422173e-01 6.636422173e-01 2.20 7.353348269e-02 7.353348269e-02 2.22 -4.655881839e-01 -4.655881839e-01 2.24 -9.574412719e-01 -9.574412719e-01 2.26 -1.405337051e+00 -1.405337051e+00 2.28 -1.812248252e+00 -1.812248252e+00 2.30 -2.180872294e+00 -2.180872294e+00 2.32 -2.513687075e+00 -2.513687075e+00 2.34 -2.812998960e+00 -2.812998960e+00 2.36 -3.080980044e+00 -3.080980044e+00 2.38 -3.319563088e+00 -3.319563088e+00 2.40 -3.530815737e+00 -3.530815737e+00 2.42 -3.716852974e+00 -3.716852974e+00 2.44 -3.879707536e+00 -3.879707536e+00 2.46 -4.021338763e+00 -4.021338763e+00 2.48 -4.143629053e+00 -4.143629053e+00 2.50 -4.248366689e+00 -4.248366689e+00 2.52 -4.337158960e+00 -4.337158960e+00 2.54 -4.411236556e+00 -4.411236556e+00 2.56 -4.471669887e+00 -4.471669887e+00 2.58 -4.519426099e+00 -4.519426099e+00 2.60 -4.555365361e+00 -4.555365361e+00 2.62 -4.580251172e+00 -4.580251172e+00 2.64 -4.594768223e+00 -4.594768223e+00 2.66 -4.599608766e+00 -4.599608766e+00 2.68 -4.595987933e+00 -4.595987933e+00 2.70 -4.584314362e+00 -4.584314362e+00 2.72 -4.564797296e+00 -4.564797296e+00 2.74 -4.537692997e+00 -4.537692997e+00 2.76 -4.503306572e+00 -4.503306572e+00 2.78 -4.461989603e+00 -4.461989603e+00 2.80 -4.414139063e+00 -4.414139063e+00 2.82 -4.360199961e+00 -4.360199961e+00 2.84 -4.300699011e+00 -4.300699011e+00 2.86 -4.236077575e+00 -4.236077575e+00 2.88 -4.166742892e+00 -4.166742892e+00 2.90 -4.093144727e+00 -4.093144727e+00 2.92 -4.015765705e+00 -4.015765705e+00 2.94 -3.935107112e+00 -3.935107112e+00 2.96 -3.851671514e+00 -3.851671514e+00 2.98 -3.765944394e+00 -3.765944394e+00 3.00 -3.678377440e+00 -3.678377440e+00 3.02 -3.589375730e+00 -3.589375730e+00 3.04 -3.499289938e+00 -3.499289938e+00 3.06 -3.408413551e+00 -3.408413551e+00 3.08 -3.316984326e+00 -3.316984326e+00 3.10 -3.225189048e+00 -3.225189048e+00 3.12 -3.133170741e+00 -3.133170741e+00 3.14 -3.041037661e+00 -3.041037661e+00 3.16 -2.948873468e+00 -2.948873468e+00 3.18 -2.856747978e+00 -2.856747978e+00 3.20 -2.764727787e+00 -2.764727787e+00 3.22 -2.672886114e+00 -2.672886114e+00 3.24 -2.581311213e+00 -2.581311213e+00 3.26 -2.490112889e+00 -2.490112889e+00 3.28 -2.399426796e+00 -2.399426796e+00 3.30 -2.309416392e+00 -2.309416392e+00 3.32 -2.220272607e+00 -2.220272607e+00 3.34 -2.132211373e+00 -2.132211373e+00 3.36 -2.045469270e+00 -2.045469270e+00 3.38 -1.960297537e+00 -1.960297537e+00 3.40 -1.876954742e+00 -1.876954742e+00 3.42 -1.795698429e+00 -1.795698429e+00 3.44 -1.716776138e+00 -1.716776138e+00 3.46 -1.640416291e+00 -1.640416291e+00 3.48 -1.566819557e+00 -1.566819557e+00 3.50 -1.496151345e+00 -1.496151345e+00 3.52 -1.428536037e+00 -1.428536037e+00 3.54 -1.364053447e+00 -1.364053447e+00 3.56 -1.302737735e+00 -1.302737735e+00 3.58 -1.244578772e+00 -1.244578772e+00 3.60 -1.189525656e+00 -1.189525656e+00 3.62 -1.137491896e+00 -1.137491896e+00 3.64 -1.088361694e+00 -1.088361694e+00 3.66 -1.041996691e+00 -1.041996691e+00 3.68 -9.982426608e-01 -9.982426608e-01 3.70 -9.569357096e-01 -9.569357096e-01 3.72 -9.179077063e-01 -9.179077063e-01 3.74 -8.809907797e-01 -8.809907797e-01 3.76 -8.460208515e-01 -8.460208515e-01 3.78 -8.128402543e-01 -8.128402543e-01 3.80 -7.812995440e-01 -7.812995440e-01 3.82 -7.512586487e-01 -7.512586487e-01 3.84 -7.225875080e-01 -7.225875080e-01 3.86 -6.951663515e-01 -6.951663515e-01 3.88 -6.688857532e-01 -6.688857532e-01 3.90 -6.436465732e-01 -6.436465732e-01 3.92 -6.193598748e-01 -6.193598748e-01 3.94 -5.959468754e-01 -5.959468754e-01 3.96 -5.733389516e-01 -5.733389516e-01 3.98 -5.514776930e-01 -5.514776930e-01 4.00 -5.303149546e-01 -5.303149546e-01 4.02 -5.098128294e-01 -5.098128294e-01 4.04 -4.899434357e-01 -4.899434357e-01 4.06 -4.706884046e-01 -4.706884046e-01 4.08 -4.520379635e-01 -4.520379635e-01 4.10 -4.339895530e-01 -4.339895530e-01 4.12 -4.165459832e-01 -4.165459832e-01 4.14 -3.997132043e-01 -3.997132043e-01 4.16 -3.834978753e-01 -3.834978753e-01 4.18 -3.679049502e-01 -3.679049502e-01 4.20 -3.529355264e-01 -3.529355264e-01 4.22 -3.385851762e-01 -3.385851762e-01 4.24 -3.248429272e-01 -3.248429272e-01 4.26 -3.116909184e-01 -3.116909184e-01 4.28 -2.991046792e-01 -2.991046792e-01 4.30 -2.870538850e-01 -2.870538850e-01 4.32 -2.755034672e-01 -2.755034672e-01 4.34 -2.644147127e-01 -2.644147127e-01 4.36 -2.537468330e-01 -2.537468330e-01 4.38 -2.434583059e-01 -2.434583059e-01 4.40 -2.335075310e-01 -2.335075310e-01 4.42 -2.238537377e-01 -2.238537377e-01 4.44 -2.144577214e-01 -2.144577214e-01 4.46 -2.052824407e-01 -2.052824407e-01 4.48 -1.962935263e-01 -1.962935263e-01 4.50 -1.874597451e-01 -1.874597451e-01 4.52 -1.787534614e-01 -1.787534614e-01 4.54 -1.701511210e-01 -1.701511210e-01 4.56 -1.616337719e-01 -1.616337719e-01 4.58 -1.531876138e-01 -1.531876138e-01 4.60 -1.448045513e-01 -1.448045513e-01 4.62 -1.364827057e-01 -1.364827057e-01 4.64 -1.282268193e-01 -1.282268193e-01 4.66 -1.200484783e-01 -1.200484783e-01 4.68 -1.119660707e-01 -1.119660707e-01 4.70 -1.040044065e-01 -1.040044065e-01 4.72 -9.619394664e-02 -9.619394664e-02 4.74 -8.856962514e-02 -8.856962514e-02 4.76 -8.116929547e-02 -8.116929547e-02 4.78 -7.403188440e-02 -7.403188440e-02 4.80 -6.719538494e-02 -6.719538494e-02 4.82 -6.069485492e-02 -6.069485492e-02 4.84 -5.456059194e-02 -5.456059194e-02 4.86 -4.881665018e-02 -4.881665018e-02 4.88 -4.347981394e-02 -4.347981394e-02 4.90 -3.855909787e-02 -3.855909787e-02 4.92 -3.405575811e-02 -3.405575811e-02 4.94 -2.996377474e-02 -2.996377474e-02 4.96 -2.627068948e-02 -2.627068948e-02 4.98 -2.295870858e-02 -2.295870858e-02 5.00 -2.000592578e-02 -2.000592578e-02 5.02 -1.738755174e-02 -1.738755174e-02 5.04 -1.507665555e-02 -1.507665555e-02 5.06 -1.304586759e-02 -1.304586759e-02 5.08 -1.126857546e-02 -1.126857546e-02 5.10 -9.718745396e-03 -9.718745396e-03 5.12 -8.371505968e-03 -8.371505968e-03 5.14 -7.203546660e-03 -7.203546660e-03 5.16 -6.193358432e-03 -6.193358432e-03 5.18 -5.321348722e-03 -5.321348722e-03 5.20 -4.569861212e-03 -4.569861212e-03 5.22 -3.923126855e-03 -3.923126855e-03 5.24 -3.367168133e-03 -3.367168133e-03 5.26 -2.889674123e-03 -2.889674123e-03 5.28 -2.479859803e-03 -2.479859803e-03 5.30 -2.128319560e-03 -2.128319560e-03 5.32 -1.826881932e-03 -1.826881932e-03 5.34 -1.568470331e-03 -1.568470331e-03 5.36 -1.346972713e-03 -1.346972713e-03 5.38 -1.157121852e-03 -1.157121852e-03 5.40 -9.943869186e-04 -9.943869186e-04 5.42 -8.548764000e-04 -8.548764000e-04 5.44 -7.352519775e-04 -7.352519775e-04 5.46 -6.326526778e-04 -6.326526778e-04 5.48 -5.446284832e-04 -5.446284832e-04 5.50 -4.690825103e-04 -4.690825103e-04 5.52 -4.042208567e-04 -4.042208567e-04 5.54 -3.485092491e-04 -3.485092491e-04 5.56 -3.006356741e-04 -3.006356741e-04 5.58 -2.594782411e-04 -2.594782411e-04 5.60 -2.240775966e-04 -2.240775966e-04 5.62 -1.936132831e-04 -1.936132831e-04 5.64 -1.673835028e-04 -1.673835028e-04 5.66 -1.447878126e-04 -1.447878126e-04 5.68 -1.253123380e-04 -1.253123380e-04 5.70 -1.085171466e-04 -1.085171466e-04 5.72 -9.402546927e-05 -9.402546927e-05 5.74 -8.151450253e-05 -8.151450253e-05 5.76 -7.070756078e-05 -7.070756078e-05 5.78 -6.136738074e-05 -6.136738074e-05 5.80 -5.329040910e-05 -5.329040910e-05 5.82 -4.630192816e-05 -4.630192816e-05 5.84 -4.025189602e-05 -4.025189602e-05 5.86 -3.501139577e-05 -3.501139577e-05 5.88 -3.046960357e-05 -3.046960357e-05 5.90 -2.653119905e-05 -2.653119905e-05 5.92 -2.311415281e-05 -2.311415281e-05 5.94 -2.014783508e-05 -2.014783508e-05 5.96 -1.757139867e-05 -1.757139867e-05 5.98 -1.533239544e-05 -1.533239544e-05 6.00 -1.338559231e-05 -1.338559231e-05