# 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 = CoMg2Pd # 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 3.029294107e+02 3.029294107e+02 1.30 2.800657769e+02 2.800657769e+02 1.32 2.589437651e+02 2.589437651e+02 1.34 2.394231781e+02 2.394231781e+02 1.36 2.213753528e+02 2.213753528e+02 1.38 2.046816293e+02 2.046816293e+02 1.40 1.892326979e+02 1.892326979e+02 1.42 1.749285751e+02 1.749285751e+02 1.44 1.616786027e+02 1.616786027e+02 1.46 1.494008180e+02 1.494008180e+02 1.48 1.380207898e+02 1.380207898e+02 1.50 1.274705230e+02 1.274705230e+02 1.52 1.176876178e+02 1.176876178e+02 1.54 1.086145333e+02 1.086145333e+02 1.56 1.001979857e+02 1.001979857e+02 1.58 9.238851591e+01 9.238851591e+01 1.60 8.514792438e+01 8.514792438e+01 1.62 7.844668895e+01 7.844668895e+01 1.64 7.224336382e+01 7.224336382e+01 1.66 6.650012728e+01 6.650012728e+01 1.68 6.118251277e+01 6.118251277e+01 1.70 5.625904868e+01 5.625904868e+01 1.72 5.170085510e+01 5.170085510e+01 1.74 4.748123850e+01 4.748123850e+01 1.76 4.357539771e+01 4.357539771e+01 1.78 3.996028451e+01 3.996028451e+01 1.80 3.661453715e+01 3.661453715e+01 1.82 3.351838716e+01 3.351838716e+01 1.84 3.065351239e+01 3.065351239e+01 1.86 2.800289335e+01 2.800289335e+01 1.88 2.555070737e+01 2.555070737e+01 1.90 2.328226916e+01 2.328226916e+01 1.92 2.118398948e+01 2.118398948e+01 1.94 1.924332280e+01 1.924332280e+01 1.96 1.744869963e+01 1.744869963e+01 1.98 1.578945411e+01 1.578945411e+01 2.00 1.425575962e+01 1.425575962e+01 2.02 1.283856808e+01 1.283856808e+01 2.04 1.152954118e+01 1.152954118e+01 2.06 1.032096830e+01 1.032096830e+01 2.08 9.205682946e+00 9.205682946e+00 2.10 8.176998040e+00 8.176998040e+00 2.12 7.228664737e+00 7.228664737e+00 2.14 6.354851809e+00 6.354851809e+00 2.16 5.550135800e+00 5.550135800e+00 2.18 4.809490154e+00 4.809490154e+00 2.20 4.128270694e+00 4.128270694e+00 2.22 3.502191963e+00 3.502191963e+00 2.24 2.927301263e+00 2.927301263e+00 2.26 2.399952738e+00 2.399952738e+00 2.28 1.916780698e+00 1.916780698e+00 2.30 1.474676671e+00 1.474676671e+00 2.32 1.070758189e+00 1.070758189e+00 2.34 7.023421564e-01 7.023421564e-01 2.36 3.669147837e-01 3.669147837e-01 2.38 6.209596135e-02 6.209596135e-02 2.40 -2.143977485e-01 -2.143977485e-01 2.42 -4.646538660e-01 -4.646538660e-01 2.44 -6.906636402e-01 -6.906636402e-01 2.46 -8.943413783e-01 -8.943413783e-01 2.48 -1.077573334e+00 -1.077573334e+00 2.50 -1.242455267e+00 -1.242455267e+00 2.52 -1.390508294e+00 -1.390508294e+00 2.54 -1.523053676e+00 -1.523053676e+00 2.56 -1.641264287e+00 -1.641264287e+00 2.58 -1.746206941e+00 -1.746206941e+00 2.60 -1.838862946e+00 -1.838862946e+00 2.62 -1.920127348e+00 -1.920127348e+00 2.64 -1.990820858e+00 -1.990820858e+00 2.66 -2.051726768e+00 -2.051726768e+00 2.68 -2.103565220e+00 -2.103565220e+00 2.70 -2.146987904e+00 -2.146987904e+00 2.72 -2.182592795e+00 -2.182592795e+00 2.74 -2.210936442e+00 -2.210936442e+00 2.76 -2.232542905e+00 -2.232542905e+00 2.78 -2.247909505e+00 -2.247909505e+00 2.80 -2.257512050e+00 -2.257512050e+00 2.82 -2.261806916e+00 -2.261806916e+00 2.84 -2.261235945e+00 -2.261235945e+00 2.86 -2.256229790e+00 -2.256229790e+00 2.88 -2.247210760e+00 -2.247210760e+00 2.90 -2.234593869e+00 -2.234593869e+00 2.92 -2.218785384e+00 -2.218785384e+00 2.94 -2.200178840e+00 -2.200178840e+00 2.96 -2.179149375e+00 -2.179149375e+00 2.98 -2.156047820e+00 -2.156047820e+00 3.00 -2.131195947e+00 -2.131195947e+00 3.02 -2.104883573e+00 -2.104883573e+00 3.04 -2.077367138e+00 -2.077367138e+00 3.06 -2.048870754e+00 -2.048870754e+00 3.08 -2.019585059e+00 -2.019585059e+00 3.10 -1.989670110e+00 -1.989670110e+00 3.12 -1.959289655e+00 -1.959289655e+00 3.14 -1.928541266e+00 -1.928541266e+00 3.16 -1.897475202e+00 -1.897475202e+00 3.18 -1.866135632e+00 -1.866135632e+00 3.20 -1.834564053e+00 -1.834564053e+00 3.22 -1.802802655e+00 -1.802802655e+00 3.24 -1.770896769e+00 -1.770896769e+00 3.26 -1.738896226e+00 -1.738896226e+00 3.28 -1.706845747e+00 -1.706845747e+00 3.30 -1.674748112e+00 -1.674748112e+00 3.32 -1.642604626e+00 -1.642604626e+00 3.34 -1.610429800e+00 -1.610429800e+00 3.36 -1.578246557e+00 -1.578246557e+00 3.38 -1.546082375e+00 -1.546082375e+00 3.40 -1.513966428e+00 -1.513966428e+00 3.42 -1.481928244e+00 -1.481928244e+00 3.44 -1.449996420e+00 -1.449996420e+00 3.46 -1.418198778e+00 -1.418198778e+00 3.48 -1.386562302e+00 -1.386562302e+00 3.50 -1.355113171e+00 -1.355113171e+00 3.52 -1.323876698e+00 -1.323876698e+00 3.54 -1.292877146e+00 -1.292877146e+00 3.56 -1.262137447e+00 -1.262137447e+00 3.58 -1.231678898e+00 -1.231678898e+00 3.60 -1.201520874e+00 -1.201520874e+00 3.62 -1.171680607e+00 -1.171680607e+00 3.64 -1.142173071e+00 -1.142173071e+00 3.66 -1.113010981e+00 -1.113010981e+00 3.68 -1.084204918e+00 -1.084204918e+00 3.70 -1.055763580e+00 -1.055763580e+00 3.72 -1.027694131e+00 -1.027694131e+00 3.74 -1.000002635e+00 -1.000002635e+00 3.76 -9.726945207e-01 -9.726945207e-01 3.78 -9.457750378e-01 -9.457750378e-01 3.80 -9.192496462e-01 -9.192496462e-01 3.82 -8.931242755e-01 -8.931242755e-01 3.84 -8.674054147e-01 -8.674054147e-01 3.86 -8.421000095e-01 -8.421000095e-01 3.88 -8.172151831e-01 -8.172151831e-01 3.90 -7.927578442e-01 -7.927578442e-01 3.92 -7.687340902e-01 -7.687340902e-01 3.94 -7.451496866e-01 -7.451496866e-01 3.96 -7.220086969e-01 -7.220086969e-01 3.98 -6.993144888e-01 -6.993144888e-01 4.00 -6.770698502e-01 -6.770698502e-01 4.02 -6.552775009e-01 -6.552775009e-01 4.04 -6.339406549e-01 -6.339406549e-01 4.06 -6.130635104e-01 -6.130635104e-01 4.08 -5.926515612e-01 -5.926515612e-01 4.10 -5.727111318e-01 -5.727111318e-01 4.12 -5.532513649e-01 -5.532513649e-01 4.14 -5.342802687e-01 -5.342802687e-01 4.16 -5.158065406e-01 -5.158065406e-01 4.18 -4.978381882e-01 -4.978381882e-01 4.20 -4.803818312e-01 -4.803818312e-01 4.22 -4.634421065e-01 -4.634421065e-01 4.24 -4.470212183e-01 -4.470212183e-01 4.26 -4.311186337e-01 -4.311186337e-01 4.28 -4.157308948e-01 -4.157308948e-01 4.30 -4.008515065e-01 -4.008515065e-01 4.32 -3.864708755e-01 -3.864708755e-01 4.34 -3.725762956e-01 -3.725762956e-01 4.36 -3.591520027e-01 -3.591520027e-01 4.38 -3.461793308e-01 -3.461793308e-01 4.40 -3.336369965e-01 -3.336369965e-01 4.42 -3.215015190e-01 -3.215015190e-01 4.44 -3.097477574e-01 -3.097477574e-01 4.46 -2.983495307e-01 -2.983495307e-01 4.48 -2.872802766e-01 -2.872802766e-01 4.50 -2.765137092e-01 -2.765137092e-01 4.52 -2.660244472e-01 -2.660244472e-01 4.54 -2.557885956e-01 -2.557885956e-01 4.56 -2.457842779e-01 -2.457842779e-01 4.58 -2.359921171e-01 -2.359921171e-01 4.60 -2.263956674e-01 -2.263956674e-01 4.62 -2.169817896e-01 -2.169817896e-01 4.64 -2.077409588e-01 -2.077409588e-01 4.66 -1.986674814e-01 -1.986674814e-01 4.68 -1.897595960e-01 -1.897595960e-01 4.70 -1.810194285e-01 -1.810194285e-01 4.72 -1.724527822e-01 -1.724527822e-01 4.74 -1.640687516e-01 -1.640687516e-01 4.76 -1.558791713e-01 -1.558791713e-01 4.78 -1.478979297e-01 -1.478979297e-01 4.80 -1.401398052e-01 -1.401398052e-01 4.82 -1.326213073e-01 -1.326213073e-01 4.84 -1.253573470e-01 -1.253573470e-01 4.86 -1.183623685e-01 -1.183623685e-01 4.88 -1.116493255e-01 -1.116493255e-01 4.90 -1.052292617e-01 -1.052292617e-01 4.92 -9.911100727e-02 -9.911100727e-02 4.94 -9.330096291e-02 -9.330096291e-02 4.96 -8.780294618e-02 -8.780294618e-02 4.98 -8.261807999e-02 -8.261807999e-02 5.00 -7.774472086e-02 -7.774472086e-02 5.02 -7.317844535e-02 -7.317844535e-02 5.04 -6.891209113e-02 -6.891209113e-02 5.06 -6.493589613e-02 -6.493589613e-02 5.08 -6.123776168e-02 -6.123776168e-02 5.10 -5.780359944e-02 -5.780359944e-02 5.12 -5.461775854e-02 -5.461775854e-02 5.14 -5.166350152e-02 -5.166350152e-02 5.16 -4.892299040e-02 -4.892299040e-02 5.18 -4.637823045e-02 -4.637823045e-02 5.20 -4.401263447e-02 -4.401263447e-02 5.22 -4.181004784e-02 -4.181004784e-02 5.24 -3.975507514e-02 -3.975507514e-02 5.26 -3.783333842e-02 -3.783333842e-02 5.28 -3.603164716e-02 -3.603164716e-02 5.30 -3.433809408e-02 -3.433809408e-02 5.32 -3.274209096e-02 -3.274209096e-02 5.34 -3.123435735e-02 -3.123435735e-02 5.36 -2.980687263e-02 -2.980687263e-02 5.38 -2.845280021e-02 -2.845280021e-02 5.40 -2.716638924e-02 -2.716638924e-02 5.42 -2.594285884e-02 -2.594285884e-02 5.44 -2.477826948e-02 -2.477826948e-02 5.46 -2.366938545e-02 -2.366938545e-02 5.48 -2.261353334e-02 -2.261353334e-02 5.50 -2.160846223e-02 -2.160846223e-02 5.52 -2.065221151e-02 -2.065221151e-02 5.54 -1.974299256e-02 -1.974299256e-02 5.56 -1.887908927e-02 -1.887908927e-02 5.58 -1.805878119e-02 -1.805878119e-02 5.60 -1.728029088e-02 -1.728029088e-02 5.62 -1.654175479e-02 -1.654175479e-02 5.64 -1.584121505e-02 -1.584121505e-02 5.66 -1.517662828e-02 -1.517662828e-02 5.68 -1.454588624e-02 -1.454588624e-02 5.70 -1.394684385e-02 -1.394684385e-02 5.72 -1.337734979e-02 -1.337734979e-02 5.74 -1.283527612e-02 -1.283527612e-02 5.76 -1.231852563e-02 -1.231852563e-02 5.78 -1.182508506e-02 -1.182508506e-02 5.80 -1.135304305e-02 -1.135304305e-02 5.82 -1.090058748e-02 -1.090058748e-02 5.84 -1.046601219e-02 -1.046601219e-02 5.86 -1.004771999e-02 -1.004771999e-02 5.88 -9.644222728e-03 -9.644222728e-03 5.90 -9.254139561e-03 -9.254139561e-03 5.92 -8.876194148e-03 -8.876194148e-03 5.94 -8.509211664e-03 -8.509211664e-03 5.96 -8.152116215e-03 -8.152116215e-03 5.98 -7.803929147e-03 -7.803929147e-03 6.00 -7.463768628e-03 -7.463768628e-03