# 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 = AgFe2Pd # 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 2.474617030e+02 2.474617030e+02 1.30 2.273594636e+02 2.273594636e+02 1.32 2.088575074e+02 2.088575074e+02 1.34 1.918240229e+02 1.918240229e+02 1.36 1.761389671e+02 1.761389671e+02 1.38 1.616913515e+02 1.616913515e+02 1.40 1.483783464e+02 1.483783464e+02 1.42 1.361056757e+02 1.361056757e+02 1.44 1.247882232e+02 1.247882232e+02 1.46 1.143498518e+02 1.143498518e+02 1.48 1.047221920e+02 1.047221920e+02 1.50 9.584297289e+01 9.584297289e+01 1.52 8.765457107e+01 8.765457107e+01 1.54 8.010304395e+01 8.010304395e+01 1.56 7.313761394e+01 7.313761394e+01 1.58 6.671052052e+01 6.671052052e+01 1.60 6.077715702e+01 6.077715702e+01 1.62 5.529633521e+01 5.529633521e+01 1.64 5.023188434e+01 5.023188434e+01 1.66 4.556878641e+01 4.556878641e+01 1.68 4.128208826e+01 4.128208826e+01 1.70 3.734327079e+01 3.734327079e+01 1.72 3.372646798e+01 3.372646798e+01 1.74 3.040775855e+01 3.040775855e+01 1.76 2.736463397e+01 2.736463397e+01 1.78 2.457574243e+01 2.457574243e+01 1.80 2.202087255e+01 2.202087255e+01 1.82 1.968105213e+01 1.968105213e+01 1.84 1.753864006e+01 1.753864006e+01 1.86 1.557735263e+01 1.557735263e+01 1.88 1.378222626e+01 1.378222626e+01 1.90 1.213954002e+01 1.213954002e+01 1.92 1.063671337e+01 1.063671337e+01 1.94 9.262183818e+00 9.262183818e+00 1.96 8.005274189e+00 8.005274189e+00 1.98 6.856074121e+00 6.856074121e+00 2.00 5.805368334e+00 5.805368334e+00 2.02 4.844626731e+00 4.844626731e+00 2.04 3.966037763e+00 3.966037763e+00 2.06 3.162543807e+00 3.162543807e+00 2.08 2.427842099e+00 2.427842099e+00 2.10 1.756338607e+00 1.756338607e+00 2.12 1.143065133e+00 1.143065133e+00 2.14 5.835803963e-01 5.835803963e-01 2.16 7.387463999e-02 7.387463999e-02 2.18 -3.897095972e-01 -3.897095972e-01 2.20 -8.105358627e-01 -8.105358627e-01 2.22 -1.191713156e+00 -1.191713156e+00 2.24 -1.536121772e+00 -1.536121772e+00 2.26 -1.846431739e+00 -1.846431739e+00 2.28 -2.125118573e+00 -2.125118573e+00 2.30 -2.374479071e+00 -2.374479071e+00 2.32 -2.596648236e+00 -2.596648236e+00 2.34 -2.793617119e+00 -2.793617119e+00 2.36 -2.967250517e+00 -2.967250517e+00 2.38 -3.119303131e+00 -3.119303131e+00 2.40 -3.251433270e+00 -3.251433270e+00 2.42 -3.365214121e+00 -3.365214121e+00 2.44 -3.462143175e+00 -3.462143175e+00 2.46 -3.543649790e+00 -3.543649790e+00 2.48 -3.611102871e+00 -3.611102871e+00 2.50 -3.666154121e+00 -3.666154121e+00 2.52 -3.710059541e+00 -3.710059541e+00 2.54 -3.743727955e+00 -3.743727955e+00 2.56 -3.768015262e+00 -3.768015262e+00 2.58 -3.783721537e+00 -3.783721537e+00 2.60 -3.791592214e+00 -3.791592214e+00 2.62 -3.792314813e+00 -3.792314813e+00 2.64 -3.786537903e+00 -3.786537903e+00 2.66 -3.774900172e+00 -3.774900172e+00 2.68 -3.757954794e+00 -3.757954794e+00 2.70 -3.735944437e+00 -3.735944437e+00 2.72 -3.708816985e+00 -3.708816985e+00 2.74 -3.676563830e+00 -3.676563830e+00 2.76 -3.639236257e+00 -3.639236257e+00 2.78 -3.596945061e+00 -3.596945061e+00 2.80 -3.549862168e+00 -3.549862168e+00 2.82 -3.498222452e+00 -3.498222452e+00 2.84 -3.442330389e+00 -3.442330389e+00 2.86 -3.382552064e+00 -3.382552064e+00 2.88 -3.319297347e+00 -3.319297347e+00 2.90 -3.253005368e+00 -3.253005368e+00 2.92 -3.184126337e+00 -3.184126337e+00 2.94 -3.113101592e+00 -3.113101592e+00 2.96 -3.040344663e+00 -3.040344663e+00 2.98 -2.966226294e+00 -2.966226294e+00 3.00 -2.891065571e+00 -2.891065571e+00 3.02 -2.815127958e+00 -2.815127958e+00 3.04 -2.738629441e+00 -2.738629441e+00 3.06 -2.661744878e+00 -2.661744878e+00 3.08 -2.584618356e+00 -2.584618356e+00 3.10 -2.507373841e+00 -2.507373841e+00 3.12 -2.430125212e+00 -2.430125212e+00 3.14 -2.352985503e+00 -2.352985503e+00 3.16 -2.276075378e+00 -2.276075378e+00 3.18 -2.199530728e+00 -2.199530728e+00 3.20 -2.123508843e+00 -2.123508843e+00 3.22 -2.048192300e+00 -2.048192300e+00 3.24 -1.973789655e+00 -1.973789655e+00 3.26 -1.900532320e+00 -1.900532320e+00 3.28 -1.828667526e+00 -1.828667526e+00 3.30 -1.758447945e+00 -1.758447945e+00 3.32 -1.690119146e+00 -1.690119146e+00 3.34 -1.623906455e+00 -1.623906455e+00 3.36 -1.560002930e+00 -1.560002930e+00 3.38 -1.498559897e+00 -1.498559897e+00 3.40 -1.439681070e+00 -1.439681070e+00 3.42 -1.383420633e+00 -1.383420633e+00 3.44 -1.329785049e+00 -1.329785049e+00 3.46 -1.278737918e+00 -1.278737918e+00 3.48 -1.230206908e+00 -1.230206908e+00 3.50 -1.184091730e+00 -1.184091730e+00 3.52 -1.140272245e+00 -1.140272245e+00 3.54 -1.098616005e+00 -1.098616005e+00 3.56 -1.058984767e+00 -1.058984767e+00 3.58 -1.021239757e+00 -1.021239757e+00 3.60 -9.852456573e-01 -9.852456573e-01 3.62 -9.508733968e-01 -9.508733968e-01 3.64 -9.180019131e-01 -9.180019131e-01 3.66 -8.865190867e-01 -8.865190867e-01 3.68 -8.563220360e-01 -8.563220360e-01 3.70 -8.273169567e-01 -8.273169567e-01 3.72 -7.994186520e-01 -7.994186520e-01 3.74 -7.725498786e-01 -7.725498786e-01 3.76 -7.466405994e-01 -7.466405994e-01 3.78 -7.216272156e-01 -7.216272156e-01 3.80 -6.974518271e-01 -6.974518271e-01 3.82 -6.740615588e-01 -6.740615588e-01 3.84 -6.514079783e-01 -6.514079783e-01 3.86 -6.294466215e-01 -6.294466215e-01 3.88 -6.081366398e-01 -6.081366398e-01 3.90 -5.874405717e-01 -5.874405717e-01 3.92 -5.673242423e-01 -5.673242423e-01 3.94 -5.477567839e-01 -5.477567839e-01 3.96 -5.287107556e-01 -5.287107556e-01 3.98 -5.101623448e-01 -5.101623448e-01 4.00 -4.920915992e-01 -4.920915992e-01 4.02 -4.744826391e-01 -4.744826391e-01 4.04 -4.573237840e-01 -4.573237840e-01 4.06 -4.406075220e-01 -4.406075220e-01 4.08 -4.243302632e-01 -4.243302632e-01 4.10 -4.084918352e-01 -4.084918352e-01 4.12 -3.930947295e-01 -3.930947295e-01 4.14 -3.781431168e-01 -3.781431168e-01 4.16 -3.636417536e-01 -3.636417536e-01 4.18 -3.495948721e-01 -3.495948721e-01 4.20 -3.360051916e-01 -3.360051916e-01 4.22 -3.228731550e-01 -3.228731550e-01 4.24 -3.101964539e-01 -3.101964539e-01 4.26 -2.979698446e-01 -2.979698446e-01 4.28 -2.861852140e-01 -2.861852140e-01 4.30 -2.748318107e-01 -2.748318107e-01 4.32 -2.638965305e-01 -2.638965305e-01 4.34 -2.533639787e-01 -2.533639787e-01 4.36 -2.432174833e-01 -2.432174833e-01 4.38 -2.334388443e-01 -2.334388443e-01 4.40 -2.240083630e-01 -2.240083630e-01 4.42 -2.149050496e-01 -2.149050496e-01 4.44 -2.061068492e-01 -2.061068492e-01 4.46 -1.975909000e-01 -1.975909000e-01 4.48 -1.893338319e-01 -1.893338319e-01 4.50 -1.813124338e-01 -1.813124338e-01 4.52 -1.735039862e-01 -1.735039862e-01 4.54 -1.658867890e-01 -1.658867890e-01 4.56 -1.584407418e-01 -1.584407418e-01 4.58 -1.511479188e-01 -1.511479188e-01 4.60 -1.439931100e-01 -1.439931100e-01 4.62 -1.369642989e-01 -1.369642989e-01 4.64 -1.300530477e-01 -1.300530477e-01 4.66 -1.232547577e-01 -1.232547577e-01 4.68 -1.165687739e-01 -1.165687739e-01 4.70 -1.099983091e-01 -1.099983091e-01 4.72 -1.035501700e-01 -1.035501700e-01 4.74 -9.723428593e-02 -9.723428593e-02 4.76 -9.106306037e-02 -9.106306037e-02 4.78 -8.505058808e-02 -8.505058808e-02 4.80 -7.921179913e-02 -7.921179913e-02 4.82 -7.356160845e-02 -7.356160845e-02 4.84 -6.811413506e-02 -6.811413506e-02 4.86 -6.288207024e-02 -6.288207024e-02 4.88 -5.787622497e-02 -5.787622497e-02 4.90 -5.310527468e-02 -5.310527468e-02 4.92 -4.857568530e-02 -4.857568530e-02 4.94 -4.429178164e-02 -4.429178164e-02 4.96 -4.025590584e-02 -4.025590584e-02 4.98 -3.646861172e-02 -3.646861172e-02 5.00 -3.292884976e-02 -3.292884976e-02 5.02 -2.963411457e-02 -2.963411457e-02 5.04 -2.658053753e-02 -2.658053753e-02 5.06 -2.376294279e-02 -2.376294279e-02 5.08 -2.117487837e-02 -2.117487837e-02 5.10 -1.880864593e-02 -1.880864593e-02 5.12 -1.665534657e-02 -1.665534657e-02 5.14 -1.470445037e-02 -1.470445037e-02 5.16 -1.294504851e-02 -1.294504851e-02 5.18 -1.136578164e-02 -1.136578164e-02 5.20 -9.954561739e-03 -9.954561739e-03 5.22 -8.698858203e-03 -8.698858203e-03 5.24 -7.585974897e-03 -7.585974897e-03 5.26 -6.603304627e-03 -6.603304627e-03 5.28 -5.738550659e-03 -5.738550659e-03 5.30 -4.979908786e-03 -4.979908786e-03 5.32 -4.316207371e-03 -4.316207371e-03 5.34 -3.737006173e-03 -3.737006173e-03 5.36 -3.232657280e-03 -3.232657280e-03 5.38 -2.794333095e-03 -2.794333095e-03 5.40 -2.414027145e-03 -2.414027145e-03 5.42 -2.084533607e-03 -2.084533607e-03 5.44 -1.799411107e-03 -1.799411107e-03 5.46 -1.552935739e-03 -1.552935739e-03 5.48 -1.340047461e-03 -1.340047461e-03 5.50 -1.156293234e-03 -1.156293234e-03 5.52 -9.977695004e-04 -9.977695004e-04 5.54 -8.610659146e-04 -8.610659146e-04 5.56 -7.432116564e-04 -7.432116564e-04 5.58 -6.416252005e-04 -6.416252005e-04 5.60 -5.540680325e-04 -5.540680325e-04 5.62 -4.786025297e-04 -4.786025297e-04 5.64 -4.135540193e-04 -4.135540193e-04 5.66 -3.574768864e-04 -3.574768864e-04 5.68 -3.091245093e-04 -3.091245093e-04 5.70 -2.674227460e-04 -2.674227460e-04 5.72 -2.314466671e-04 -2.314466671e-04 5.74 -2.004002199e-04 -2.004002199e-04 5.76 -1.735985178e-04 -1.735985178e-04 5.78 -1.504524587e-04 -1.504524587e-04 5.80 -1.304554008e-04 -1.304554008e-04 5.82 -1.131716420e-04 -1.131716420e-04 5.84 -9.822647703e-05 -9.822647703e-05 5.86 -8.529762735e-05 -8.529762735e-05 5.88 -7.410786305e-05 -7.410786305e-05 5.90 -6.441865663e-05 -6.441865663e-05 5.92 -5.602472840e-05 -5.602472840e-05 5.94 -4.874936079e-05 -4.874936079e-05 5.96 -4.244037492e-05 -4.244037492e-05 5.98 -3.696667685e-05 -3.696667685e-05 6.00 -3.221529343e-05 -3.221529343e-05