# 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 = Co2CuMg # 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 1.867096789e+02 1.867096789e+02 1.30 1.719028805e+02 1.719028805e+02 1.32 1.582637985e+02 1.582637985e+02 1.34 1.456940186e+02 1.456940186e+02 1.36 1.341048664e+02 1.341048664e+02 1.38 1.234167131e+02 1.234167131e+02 1.40 1.135575990e+02 1.135575990e+02 1.42 1.044618089e+02 1.044618089e+02 1.44 9.606850671e+01 9.606850671e+01 1.46 8.832089552e+01 8.832089552e+01 1.48 8.116633515e+01 8.116633515e+01 1.50 7.455691108e+01 7.455691108e+01 1.52 6.844951344e+01 6.844951344e+01 1.54 6.280523144e+01 6.280523144e+01 1.56 5.758859650e+01 5.758859650e+01 1.58 5.276818230e+01 5.276818230e+01 1.60 4.831498958e+01 4.831498958e+01 1.62 4.420112518e+01 4.420112518e+01 1.64 4.040113344e+01 4.040113344e+01 1.66 3.689143657e+01 3.689143657e+01 1.68 3.365014483e+01 3.365014483e+01 1.70 3.065700571e+01 3.065700571e+01 1.72 2.789329702e+01 2.789329702e+01 1.74 2.534161239e+01 2.534161239e+01 1.76 2.298569064e+01 2.298569064e+01 1.78 2.081041911e+01 2.081041911e+01 1.80 1.880194474e+01 1.880194474e+01 1.82 1.694773136e+01 1.694773136e+01 1.84 1.523646724e+01 1.523646724e+01 1.86 1.365786790e+01 1.365786790e+01 1.88 1.220245164e+01 1.220245164e+01 1.90 1.086134869e+01 1.086134869e+01 1.92 9.626168956e+00 9.626168956e+00 1.94 8.488945962e+00 8.488945962e+00 1.96 7.442157021e+00 7.442157021e+00 1.98 6.478794553e+00 6.478794553e+00 2.00 5.592441162e+00 5.592441162e+00 2.02 4.777303640e+00 4.777303640e+00 2.04 4.028181278e+00 4.028181278e+00 2.06 3.340374920e+00 3.340374920e+00 2.08 2.709573218e+00 2.709573218e+00 2.10 2.131757031e+00 2.131757031e+00 2.12 1.603140307e+00 1.603140307e+00 2.14 1.120144678e+00 1.120144678e+00 2.16 6.793960619e-01 6.793960619e-01 2.18 2.777287835e-01 2.777287835e-01 2.20 -8.781138534e-02 -8.781138534e-02 2.22 -4.199731956e-01 -4.199731956e-01 2.24 -7.213131574e-01 -7.213131574e-01 2.26 -9.942134357e-01 -9.942134357e-01 2.28 -1.240901465e+00 -1.240901465e+00 2.30 -1.463464771e+00 -1.463464771e+00 2.32 -1.663861389e+00 -1.663861389e+00 2.34 -1.843985507e+00 -1.843985507e+00 2.36 -2.005530895e+00 -2.005530895e+00 2.38 -2.149905881e+00 -2.149905881e+00 2.40 -2.278396814e+00 -2.278396814e+00 2.42 -2.392174656e+00 -2.392174656e+00 2.44 -2.492311853e+00 -2.492311853e+00 2.46 -2.579805243e+00 -2.579805243e+00 2.48 -2.655589478e+00 -2.655589478e+00 2.50 -2.720545615e+00 -2.720545615e+00 2.52 -2.775536459e+00 -2.775536459e+00 2.54 -2.821004604e+00 -2.821004604e+00 2.56 -2.857430520e+00 -2.857430520e+00 2.58 -2.885352017e+00 -2.885352017e+00 2.60 -2.905345491e+00 -2.905345491e+00 2.62 -2.918002221e+00 -2.918002221e+00 2.64 -2.923905258e+00 -2.923905258e+00 2.66 -2.923632664e+00 -2.923632664e+00 2.68 -2.917742041e+00 -2.917742041e+00 2.70 -2.906746244e+00 -2.906746244e+00 2.72 -2.891121102e+00 -2.891121102e+00 2.74 -2.871312517e+00 -2.871312517e+00 2.76 -2.847738127e+00 -2.847738127e+00 2.78 -2.820784098e+00 -2.820784098e+00 2.80 -2.790801066e+00 -2.790801066e+00 2.82 -2.758100711e+00 -2.758100711e+00 2.84 -2.722957443e+00 -2.722957443e+00 2.86 -2.685612991e+00 -2.685612991e+00 2.88 -2.646283581e+00 -2.646283581e+00 2.90 -2.605168096e+00 -2.605168096e+00 2.92 -2.562456159e+00 -2.562456159e+00 2.94 -2.518335534e+00 -2.518335534e+00 2.96 -2.472998446e+00 -2.472998446e+00 2.98 -2.426646250e+00 -2.426646250e+00 3.00 -2.379491574e+00 -2.379491574e+00 3.02 -2.331756821e+00 -2.331756821e+00 3.04 -2.283671575e+00 -2.283671575e+00 3.06 -2.235474365e+00 -2.235474365e+00 3.08 -2.187351958e+00 -2.187351958e+00 3.10 -2.139461346e+00 -2.139461346e+00 3.12 -2.091928216e+00 -2.091928216e+00 3.14 -2.044845351e+00 -2.044845351e+00 3.16 -1.998273896e+00 -1.998273896e+00 3.18 -1.952250391e+00 -1.952250391e+00 3.20 -1.906792704e+00 -1.906792704e+00 3.22 -1.861887858e+00 -1.861887858e+00 3.24 -1.817504739e+00 -1.817504739e+00 3.26 -1.773619446e+00 -1.773619446e+00 3.28 -1.730217334e+00 -1.730217334e+00 3.30 -1.687293113e+00 -1.687293113e+00 3.32 -1.644849936e+00 -1.644849936e+00 3.34 -1.602897826e+00 -1.602897826e+00 3.36 -1.561451790e+00 -1.561451790e+00 3.38 -1.520529957e+00 -1.520529957e+00 3.40 -1.480151936e+00 -1.480151936e+00 3.42 -1.440337747e+00 -1.440337747e+00 3.44 -1.401106610e+00 -1.401106610e+00 3.46 -1.362476441e+00 -1.362476441e+00 3.48 -1.324463229e+00 -1.324463229e+00 3.50 -1.287080516e+00 -1.287080516e+00 3.52 -1.250338953e+00 -1.250338953e+00 3.54 -1.214245916e+00 -1.214245916e+00 3.56 -1.178805250e+00 -1.178805250e+00 3.58 -1.144017170e+00 -1.144017170e+00 3.60 -1.109878370e+00 -1.109878370e+00 3.62 -1.076382358e+00 -1.076382358e+00 3.64 -1.043520058e+00 -1.043520058e+00 3.66 -1.011280656e+00 -1.011280656e+00 3.68 -9.796527048e-01 -9.796527048e-01 3.70 -9.486254072e-01 -9.486254072e-01 3.72 -9.181900273e-01 -9.181900273e-01 3.74 -8.883412849e-01 -8.883412849e-01 3.76 -8.590785833e-01 -8.590785833e-01 3.78 -8.304068822e-01 -8.304068822e-01 3.80 -8.023370280e-01 -8.023370280e-01 3.82 -7.748853937e-01 -7.748853937e-01 3.84 -7.480727567e-01 -7.480727567e-01 3.86 -7.219224629e-01 -7.219224629e-01 3.88 -6.964580586e-01 -6.964580586e-01 3.90 -6.717006854e-01 -6.717006854e-01 3.92 -6.476665062e-01 -6.476665062e-01 3.94 -6.243650829e-01 -6.243650829e-01 3.96 -6.017974557e-01 -6.017974557e-01 3.98 -5.799561175e-01 -5.799561175e-01 4.00 -5.588252213e-01 -5.588252213e-01 4.02 -5.383815511e-01 -5.383815511e-01 4.04 -5.185959287e-01 -5.185959287e-01 4.06 -4.994348492e-01 -4.994348492e-01 4.08 -4.808621704e-01 -4.808621704e-01 4.10 -4.628404807e-01 -4.628404807e-01 4.12 -4.453337193e-01 -4.453337193e-01 4.14 -4.283067884e-01 -4.283067884e-01 4.16 -4.117280148e-01 -4.117280148e-01 4.18 -3.955698818e-01 -3.955698818e-01 4.20 -3.798099128e-01 -3.798099128e-01 4.22 -3.644313287e-01 -3.644313287e-01 4.24 -3.494234179e-01 -3.494234179e-01 4.26 -3.347815615e-01 -3.347815615e-01 4.28 -3.205068767e-01 -3.205068767e-01 4.30 -3.066054867e-01 -3.066054867e-01 4.32 -2.930874817e-01 -2.930874817e-01 4.34 -2.799656795e-01 -2.799656795e-01 4.36 -2.672543211e-01 -2.672543211e-01 4.38 -2.549678233e-01 -2.549678233e-01 4.40 -2.431196747e-01 -2.431196747e-01 4.42 -2.317215077e-01 -2.317215077e-01 4.44 -2.207823389e-01 -2.207823389e-01 4.46 -2.103079490e-01 -2.103079490e-01 4.48 -2.003003816e-01 -2.003003816e-01 4.50 -1.907575589e-01 -1.907575589e-01 4.52 -1.816730368e-01 -1.816730368e-01 4.54 -1.730359341e-01 -1.730359341e-01 4.56 -1.648310608e-01 -1.648310608e-01 4.58 -1.570392566e-01 -1.570392566e-01 4.60 -1.496379212e-01 -1.496379212e-01 4.62 -1.426016981e-01 -1.426016981e-01 4.64 -1.359032590e-01 -1.359032590e-01 4.66 -1.295141343e-01 -1.295141343e-01 4.68 -1.234055421e-01 -1.234055421e-01 4.70 -1.175491815e-01 -1.175491815e-01 4.72 -1.119179708e-01 -1.119179708e-01 4.74 -1.064867211e-01 -1.064867211e-01 4.76 -1.012327476e-01 -1.012327476e-01 4.78 -9.613641496e-02 -9.613641496e-02 4.80 -9.118141768e-02 -9.118141768e-02 4.82 -8.635600730e-02 -8.635600730e-02 4.84 -8.165197686e-02 -8.165197686e-02 4.86 -7.706572266e-02 -7.706572266e-02 4.88 -7.259796473e-02 -7.259796473e-02 4.90 -6.825348452e-02 -6.825348452e-02 4.92 -6.404061185e-02 -6.404061185e-02 4.94 -5.997045957e-02 -5.997045957e-02 4.96 -5.605594178e-02 -5.605594178e-02 4.98 -5.231062981e-02 -5.231062981e-02 5.00 -4.874756089e-02 -4.874756089e-02 5.02 -4.537812022e-02 -4.537812022e-02 5.04 -4.221109342e-02 -4.221109342e-02 5.06 -3.925198513e-02 -3.925198513e-02 5.08 -3.650215696e-02 -3.650215696e-02 5.10 -3.395945209e-02 -3.395945209e-02 5.12 -3.161922322e-02 -3.161922322e-02 5.14 -2.947361198e-02 -2.947361198e-02 5.16 -2.751221251e-02 -2.751221251e-02 5.18 -2.572272451e-02 -2.572272451e-02 5.20 -2.409180393e-02 -2.409180393e-02 5.22 -2.260569051e-02 -2.260569051e-02 5.24 -2.125065019e-02 -2.125065019e-02 5.26 -2.001339369e-02 -2.001339369e-02 5.28 -1.888138004e-02 -1.888138004e-02 5.30 -1.784301702e-02 -1.784301702e-02 5.32 -1.688777517e-02 -1.688777517e-02 5.34 -1.600623282e-02 -1.600623282e-02 5.36 -1.519004936e-02 -1.519004936e-02 5.38 -1.443194820e-02 -1.443194820e-02 5.40 -1.372565453e-02 -1.372565453e-02 5.42 -1.306578778e-02 -1.306578778e-02 5.44 -1.244776277e-02 -1.244776277e-02 5.46 -1.186768625e-02 -1.186768625e-02 5.48 -1.132225318e-02 -1.132225318e-02 5.50 -1.080864666e-02 -1.080864666e-02 5.52 -1.032444468e-02 -1.032444468e-02 5.54 -9.867536299e-03 -9.867536299e-03 5.56 -9.436049320e-03 -9.436049320e-03 5.58 -9.028290645e-03 -9.028290645e-03 5.60 -8.642699625e-03 -8.642699625e-03 5.62 -8.277813813e-03 -8.277813813e-03 5.64 -7.932245790e-03 -7.932245790e-03 5.66 -7.604669162e-03 -7.604669162e-03 5.68 -7.293811599e-03 -7.293811599e-03 5.70 -6.998452735e-03 -6.998452735e-03 5.72 -6.717425020e-03 -6.717425020e-03 5.74 -6.449615921e-03 -6.449615921e-03 5.76 -6.193970333e-03 -6.193970333e-03 5.78 -5.949492439e-03 -5.949492439e-03 5.80 -5.715246632e-03 -5.715246632e-03 5.82 -5.490357391e-03 -5.490357391e-03 5.84 -5.274008200e-03 -5.274008200e-03 5.86 -5.065439709e-03 -5.065439709e-03 5.88 -4.863947423e-03 -4.863947423e-03 5.90 -4.668879200e-03 -4.668879200e-03 5.92 -4.479632828e-03 -4.479632828e-03 5.94 -4.295653939e-03 -4.295653939e-03 5.96 -4.116434439e-03 -4.116434439e-03 5.98 -3.941511639e-03 -3.941511639e-03 6.00 -3.770468153e-03 -3.770468153e-03