# 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 = FeMo2Pd # 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 2.948315736e+02 2.948315736e+02 1.30 2.720886644e+02 2.720886644e+02 1.32 2.510971158e+02 2.510971158e+02 1.34 2.317070533e+02 2.317070533e+02 1.36 2.137819096e+02 2.137819096e+02 1.38 1.971979456e+02 1.971979456e+02 1.40 1.818439631e+02 1.818439631e+02 1.42 1.676206953e+02 1.676206953e+02 1.44 1.544398144e+02 1.544398144e+02 1.46 1.422225611e+02 1.422225611e+02 1.48 1.308981202e+02 1.308981202e+02 1.50 1.204020515e+02 1.204020515e+02 1.52 1.106750548e+02 1.106750548e+02 1.54 1.016621248e+02 1.016621248e+02 1.56 9.331198058e+01 9.331198058e+01 1.58 8.557664364e+01 8.557664364e+01 1.60 7.841112534e+01 7.841112534e+01 1.62 7.177322327e+01 7.177322327e+01 1.64 6.562337974e+01 6.562337974e+01 1.66 5.992453355e+01 5.992453355e+01 1.68 5.464195971e+01 5.464195971e+01 1.70 4.974316681e+01 4.974316681e+01 1.72 4.519792302e+01 4.519792302e+01 1.74 4.097930746e+01 4.097930746e+01 1.76 3.706696042e+01 3.706696042e+01 1.78 3.345042355e+01 3.345042355e+01 1.80 3.011863408e+01 3.011863408e+01 1.82 2.705058191e+01 2.705058191e+01 1.84 2.422691603e+01 2.422691603e+01 1.86 2.162966393e+01 2.162966393e+01 1.88 1.924208562e+01 1.924208562e+01 1.90 1.704861362e+01 1.704861362e+01 1.92 1.503480568e+01 1.503480568e+01 1.94 1.318726722e+01 1.318726722e+01 1.96 1.149354098e+01 1.149354098e+01 1.98 9.941982875e+00 9.941982875e+00 2.00 8.521646441e+00 8.521646441e+00 2.02 7.222191160e+00 7.222191160e+00 2.04 6.033819704e+00 6.033819704e+00 2.06 4.947242752e+00 4.947242752e+00 2.08 3.953670214e+00 3.953670214e+00 2.10 3.044830542e+00 3.044830542e+00 2.12 2.213017883e+00 2.213017883e+00 2.14 1.451157619e+00 1.451157619e+00 2.16 7.528697939e-01 7.528697939e-01 2.18 1.125060751e-01 1.125060751e-01 2.20 -4.748569201e-01 -4.748569201e-01 2.22 -1.013470611e+00 -1.013470611e+00 2.24 -1.507002649e+00 -1.507002649e+00 2.26 -1.958642134e+00 -1.958642134e+00 2.28 -2.371204222e+00 -2.371204222e+00 2.30 -2.747221908e+00 -2.747221908e+00 2.32 -3.089019215e+00 -3.089019215e+00 2.34 -3.398764911e+00 -3.398764911e+00 2.36 -3.678508674e+00 -3.678508674e+00 2.38 -3.930202816e+00 -3.930202816e+00 2.40 -4.155713285e+00 -4.155713285e+00 2.42 -4.356823914e+00 -4.356823914e+00 2.44 -4.535237202e+00 -4.535237202e+00 2.46 -4.692353041e+00 -4.692353041e+00 2.48 -4.829707622e+00 -4.829707622e+00 2.50 -4.949057825e+00 -4.949057825e+00 2.52 -5.051990150e+00 -5.051990150e+00 2.54 -5.139911728e+00 -5.139911728e+00 2.56 -5.214045158e+00 -5.214045158e+00 2.58 -5.275433490e+00 -5.275433490e+00 2.60 -5.324942464e+00 -5.324942464e+00 2.62 -5.362984650e+00 -5.362984650e+00 2.64 -5.389639932e+00 -5.389639932e+00 2.66 -5.405014433e+00 -5.405014433e+00 2.68 -5.409254201e+00 -5.409254201e+00 2.70 -5.402543712e+00 -5.402543712e+00 2.72 -5.385103915e+00 -5.385103915e+00 2.74 -5.357192561e+00 -5.357192561e+00 2.76 -5.319396047e+00 -5.319396047e+00 2.78 -5.272094673e+00 -5.272094673e+00 2.80 -5.215458456e+00 -5.215458456e+00 2.82 -5.149734842e+00 -5.149734842e+00 2.84 -5.075258776e+00 -5.075258776e+00 2.86 -4.992453958e+00 -4.992453958e+00 2.88 -4.901847659e+00 -4.901847659e+00 2.90 -4.804083045e+00 -4.804083045e+00 2.92 -4.699958585e+00 -4.699958585e+00 2.94 -4.590379257e+00 -4.590379257e+00 2.96 -4.476303556e+00 -4.476303556e+00 2.98 -4.358712745e+00 -4.358712745e+00 3.00 -4.238560523e+00 -4.238560523e+00 3.02 -4.116655200e+00 -4.116655200e+00 3.04 -3.993692301e+00 -3.993692301e+00 3.06 -3.870269159e+00 -3.870269159e+00 3.08 -3.746864747e+00 -3.746864747e+00 3.10 -3.623831612e+00 -3.623831612e+00 3.12 -3.501399824e+00 -3.501399824e+00 3.14 -3.379691145e+00 -3.379691145e+00 3.16 -3.258740618e+00 -3.258740618e+00 3.18 -3.138522355e+00 -3.138522355e+00 3.20 -3.018976419e+00 -3.018976419e+00 3.22 -2.900034272e+00 -2.900034272e+00 3.24 -2.781641027e+00 -2.781641027e+00 3.26 -2.663773554e+00 -2.663773554e+00 3.28 -2.546454206e+00 -2.546454206e+00 3.30 -2.429760423e+00 -2.429760423e+00 3.32 -2.313830711e+00 -2.313830711e+00 3.34 -2.198867438e+00 -2.198867438e+00 3.36 -2.085136680e+00 -2.085136680e+00 3.38 -1.972964968e+00 -1.972964968e+00 3.40 -1.862732571e+00 -1.862732571e+00 3.42 -1.754862865e+00 -1.754862865e+00 3.44 -1.649807597e+00 -1.649807597e+00 3.46 -1.548028418e+00 -1.548028418e+00 3.48 -1.449975725e+00 -1.449975725e+00 3.50 -1.356066537e+00 -1.356066537e+00 3.52 -1.266663509e+00 -1.266663509e+00 3.54 -1.182057234e+00 -1.182057234e+00 3.56 -1.102453559e+00 -1.102453559e+00 3.58 -1.027966990e+00 -1.027966990e+00 3.60 -9.586203556e-01 -9.586203556e-01 3.62 -8.943501856e-01 -8.943501856e-01 3.64 -8.350166012e-01 -8.350166012e-01 3.66 -7.804162406e-01 -7.804162406e-01 3.68 -7.302966729e-01 -7.302966729e-01 3.70 -6.843709327e-01 -6.843709327e-01 3.72 -6.423311026e-01 -6.423311026e-01 3.74 -6.038602283e-01 -6.038602283e-01 3.76 -5.686421819e-01 -5.686421819e-01 3.78 -5.363693729e-01 -5.363693729e-01 3.80 -5.067484078e-01 -5.067484078e-01 3.82 -4.795039361e-01 -4.795039361e-01 3.84 -4.543809844e-01 -4.543809844e-01 3.86 -4.311461008e-01 -4.311461008e-01 3.88 -4.095876184e-01 -4.095876184e-01 3.90 -3.895153096e-01 -3.895153096e-01 3.92 -3.707596580e-01 -3.707596580e-01 3.94 -3.531709113e-01 -3.531709113e-01 3.96 -3.366180547e-01 -3.366180547e-01 3.98 -3.209877709e-01 -3.209877709e-01 4.00 -3.061834025e-01 -3.061834025e-01 4.02 -2.921238845e-01 -2.921238845e-01 4.04 -2.787426300e-01 -2.787426300e-01 4.06 -2.659862384e-01 -2.659862384e-01 4.08 -2.538130998e-01 -2.538130998e-01 4.10 -2.421918930e-01 -2.421918930e-01 4.12 -2.310994569e-01 -2.310994569e-01 4.14 -2.205186902e-01 -2.205186902e-01 4.16 -2.104363701e-01 -2.104363701e-01 4.18 -2.008410307e-01 -2.008410307e-01 4.20 -1.917210734e-01 -1.917210734e-01 4.22 -1.830632582e-01 -1.830632582e-01 4.24 -1.748516768e-01 -1.748516768e-01 4.26 -1.670672386e-01 -1.670672386e-01 4.28 -1.596876265e-01 -1.596876265e-01 4.30 -1.526876420e-01 -1.526876420e-01 4.32 -1.460398112e-01 -1.460398112e-01 4.34 -1.397150144e-01 -1.397150144e-01 4.36 -1.336831104e-01 -1.336831104e-01 4.38 -1.279146353e-01 -1.279146353e-01 4.40 -1.223805830e-01 -1.223805830e-01 4.42 -1.170528899e-01 -1.170528899e-01 4.44 -1.119049011e-01 -1.119049011e-01 4.46 -1.069117190e-01 -1.069117190e-01 4.48 -1.020504695e-01 -1.020504695e-01 4.50 -9.730052065e-02 -9.730052065e-02 4.52 -9.264368262e-02 -9.264368262e-02 4.54 -8.806440864e-02 -8.806440864e-02 4.56 -8.355000907e-02 -8.355000907e-02 4.58 -7.909087793e-02 -7.909087793e-02 4.60 -7.468072080e-02 -7.468072080e-02 4.62 -7.031676180e-02 -7.031676180e-02 4.64 -6.599989778e-02 -6.599989778e-02 4.66 -6.173476081e-02 -6.173476081e-02 4.68 -5.752964809e-02 -5.752964809e-02 4.70 -5.339628218e-02 -5.339628218e-02 4.72 -4.934937482e-02 -4.934937482e-02 4.74 -4.540599098e-02 -4.540599098e-02 4.76 -4.158472968e-02 -4.158472968e-02 4.78 -3.790475650e-02 -3.790475650e-02 4.80 -3.438476641e-02 -3.438476641e-02 4.82 -3.104195950e-02 -3.104195950e-02 4.84 -2.789110198e-02 -2.789110198e-02 4.86 -2.494378659e-02 -2.494378659e-02 4.88 -2.220792463e-02 -2.220792463e-02 4.90 -1.968750067e-02 -1.968750067e-02 4.92 -1.738259082e-02 -1.738259082e-02 4.94 -1.528927554e-02 -1.528927554e-02 4.96 -1.340075707e-02 -1.340075707e-02 4.98 -1.170786139e-02 -1.170786139e-02 5.00 -1.019925924e-02 -1.019925924e-02 5.02 -8.862125402e-03 -8.862125402e-03 5.04 -7.682751183e-03 -7.682751183e-03 5.06 -6.647079716e-03 -6.647079716e-03 5.08 -5.741148252e-03 -5.741148252e-03 5.10 -4.951433122e-03 -4.951433122e-03 5.12 -4.265101797e-03 -4.265101797e-03 5.14 -3.670182048e-03 -3.670182048e-03 5.16 -3.155661070e-03 -3.155661070e-03 5.18 -2.711528324e-03 -2.711528324e-03 5.20 -2.328775284e-03 -2.328775284e-03 5.22 -1.999363876e-03 -1.999363876e-03 5.24 -1.716173587e-03 -1.716173587e-03 5.26 -1.472935325e-03 -1.472935325e-03 5.28 -1.264158300e-03 -1.264158300e-03 5.30 -1.085054586e-03 -1.085054586e-03 5.32 -9.314647141e-04 -9.314647141e-04 5.34 -7.997865412e-04 -7.997865412e-04 5.36 -6.869088049e-04 -6.869088049e-04 5.38 -5.901501492e-04 -5.901501492e-04 5.40 -5.072039403e-04 -5.072039403e-04 5.42 -4.360888750e-04 -4.360888750e-04 5.44 -3.751051667e-04 -3.751051667e-04 5.46 -3.227959634e-04 -3.227959634e-04 5.48 -2.779135761e-04 -2.779135761e-04 5.50 -2.393900640e-04 -2.393900640e-04 5.52 -2.063117195e-04 -2.063117195e-04 5.54 -1.778970112e-04 -1.778970112e-04 5.56 -1.534775686e-04 -1.534775686e-04 5.58 -1.324818280e-04 -1.324818280e-04 5.60 -1.144209937e-04 -1.144209937e-04 5.62 -9.887700454e-05 -9.887700454e-05 5.64 -8.549223329e-05 -8.549223329e-05 5.66 -7.396067722e-05 -7.396067722e-05 5.68 -6.402043030e-05 -6.402043030e-05 5.70 -5.544725414e-05 -5.544725414e-05 5.72 -4.804908970e-05 -4.804908970e-05 5.74 -4.166137342e-05 -4.166137342e-05 5.76 -3.614304055e-05 -3.614304055e-05 5.78 -3.137311510e-05 -3.137311510e-05 5.80 -2.724780016e-05 -2.724780016e-05 5.82 -2.367799506e-05 -2.367799506e-05 5.84 -2.058717624e-05 -2.058717624e-05 5.86 -1.790958828e-05 -1.790958828e-05 5.88 -1.558869911e-05 -1.558869911e-05 5.90 -1.357588059e-05 -1.357588059e-05 5.92 -1.182928104e-05 -1.182928104e-05 5.94 -1.031286146e-05 -1.031286146e-05 5.96 -8.995571369e-06 -8.995571369e-06 5.98 -7.850643666e-06 -7.850643666e-06 6.00 -6.854991136e-06 -6.854991136e-06