# 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 = FeMg2Ni # 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 2.773239751e+02 2.773239751e+02 1.30 2.554678971e+02 2.554678971e+02 1.32 2.353462900e+02 2.353462900e+02 1.34 2.168093324e+02 2.168093324e+02 1.36 1.997228424e+02 1.997228424e+02 1.38 1.839675076e+02 1.839675076e+02 1.40 1.694366888e+02 1.694366888e+02 1.42 1.560339780e+02 1.560339780e+02 1.44 1.436713142e+02 1.436713142e+02 1.46 1.322677173e+02 1.322677173e+02 1.48 1.217484259e+02 1.217484259e+02 1.50 1.120442814e+02 1.120442814e+02 1.52 1.030913517e+02 1.030913517e+02 1.54 9.483071897e+01 9.483071897e+01 1.56 8.720822109e+01 8.720822109e+01 1.58 8.017399380e+01 8.017399380e+01 1.60 7.368218261e+01 7.368218261e+01 1.62 6.769023665e+01 6.769023665e+01 1.64 6.215942465e+01 6.215942465e+01 1.66 5.705422963e+01 5.705422963e+01 1.68 5.234191697e+01 5.234191697e+01 1.70 4.799218087e+01 4.799218087e+01 1.72 4.397684071e+01 4.397684071e+01 1.74 4.026965093e+01 4.026965093e+01 1.76 3.684624569e+01 3.684624569e+01 1.78 3.368418532e+01 3.368418532e+01 1.80 3.076300241e+01 3.076300241e+01 1.82 2.806416780e+01 2.806416780e+01 1.84 2.557093837e+01 2.557093837e+01 1.86 2.326813348e+01 2.326813348e+01 1.88 2.114187748e+01 2.114187748e+01 1.90 1.917936239e+01 1.917936239e+01 1.92 1.736865570e+01 1.736865570e+01 1.94 1.569856656e+01 1.569856656e+01 1.96 1.415856912e+01 1.415856912e+01 1.98 1.273877820e+01 1.273877820e+01 2.00 1.142995342e+01 1.142995342e+01 2.02 1.022350838e+01 1.022350838e+01 2.04 9.111513632e+00 9.111513632e+00 2.06 8.086688270e+00 8.086688270e+00 2.08 7.142376902e+00 7.142376902e+00 2.10 6.272513687e+00 6.272513687e+00 2.12 5.471574288e+00 5.471574288e+00 2.14 4.734519737e+00 4.734519737e+00 2.16 4.056737123e+00 4.056737123e+00 2.18 3.433976768e+00 3.433976768e+00 2.20 2.862293466e+00 2.862293466e+00 2.22 2.337994122e+00 2.337994122e+00 2.24 1.857602080e+00 1.857602080e+00 2.26 1.417838162e+00 1.417838162e+00 2.28 1.015611177e+00 1.015611177e+00 2.30 6.480160455e-01 6.480160455e-01 2.32 3.123244484e-01 3.123244484e-01 2.34 5.985312376e-03 5.985312376e-03 2.36 -2.733724041e-01 -2.733724041e-01 2.38 -5.279314936e-01 -5.279314936e-01 2.40 -7.596756698e-01 -7.596756698e-01 2.42 -9.703901171e-01 -9.703901171e-01 2.44 -1.161675602e+00 -1.161675602e+00 2.46 -1.334974355e+00 -1.334974355e+00 2.48 -1.491521418e+00 -1.491521418e+00 2.50 -1.632333269e+00 -1.632333269e+00 2.52 -1.758370819e+00 -1.758370819e+00 2.54 -1.870558152e+00 -1.870558152e+00 2.56 -1.969781755e+00 -1.969781755e+00 2.58 -2.056888545e+00 -2.056888545e+00 2.60 -2.132684489e+00 -2.132684489e+00 2.62 -2.197933876e+00 -2.197933876e+00 2.64 -2.253306663e+00 -2.253306663e+00 2.66 -2.299365456e+00 -2.299365456e+00 2.68 -2.336670955e+00 -2.336670955e+00 2.70 -2.365793187e+00 -2.365793187e+00 2.72 -2.387313424e+00 -2.387313424e+00 2.74 -2.401823561e+00 -2.401823561e+00 2.76 -2.409921318e+00 -2.409921318e+00 2.78 -2.412201021e+00 -2.412201021e+00 2.80 -2.409243130e+00 -2.409243130e+00 2.82 -2.401601471e+00 -2.401601471e+00 2.84 -2.389795901e+00 -2.389795901e+00 2.86 -2.374307100e+00 -2.374307100e+00 2.88 -2.355574775e+00 -2.355574775e+00 2.90 -2.333997727e+00 -2.333997727e+00 2.92 -2.309934713e+00 -2.309934713e+00 2.94 -2.283705624e+00 -2.283705624e+00 2.96 -2.255592969e+00 -2.255592969e+00 2.98 -2.225843913e+00 -2.225843913e+00 3.00 -2.194680898e+00 -2.194680898e+00 3.02 -2.162331020e+00 -2.162331020e+00 3.04 -2.128909598e+00 -2.128909598e+00 3.06 -2.094505723e+00 -2.094505723e+00 3.08 -2.059200863e+00 -2.059200863e+00 3.10 -2.023072673e+00 -2.023072673e+00 3.12 -1.986196840e+00 -1.986196840e+00 3.14 -1.948643360e+00 -1.948643360e+00 3.16 -1.910394919e+00 -1.910394919e+00 3.18 -1.871400735e+00 -1.871400735e+00 3.20 -1.831644360e+00 -1.831644360e+00 3.22 -1.791145154e+00 -1.791145154e+00 3.24 -1.749958369e+00 -1.749958369e+00 3.26 -1.708174055e+00 -1.708174055e+00 3.28 -1.665914108e+00 -1.665914108e+00 3.30 -1.623326974e+00 -1.623326974e+00 3.32 -1.580580058e+00 -1.580580058e+00 3.34 -1.537850394e+00 -1.537850394e+00 3.36 -1.495314660e+00 -1.495314660e+00 3.38 -1.453139823e+00 -1.453139823e+00 3.40 -1.411475392e+00 -1.411475392e+00 3.42 -1.370448619e+00 -1.370448619e+00 3.44 -1.330161142e+00 -1.330161142e+00 3.46 -1.290689089e+00 -1.290689089e+00 3.48 -1.252084358e+00 -1.252084358e+00 3.50 -1.214377222e+00 -1.214377222e+00 3.52 -1.177579602e+00 -1.177579602e+00 3.54 -1.141688571e+00 -1.141688571e+00 3.56 -1.106689775e+00 -1.106689775e+00 3.58 -1.072560557e+00 -1.072560557e+00 3.60 -1.039272684e+00 -1.039272684e+00 3.62 -1.006794646e+00 -1.006794646e+00 3.64 -9.750935472e-01 -9.750935472e-01 3.66 -9.441366756e-01 -9.441366756e-01 3.68 -9.138928384e-01 -9.138928384e-01 3.70 -8.843335582e-01 -8.843335582e-01 3.72 -8.554342081e-01 -8.554342081e-01 3.74 -8.271751165e-01 -8.271751165e-01 3.76 -7.995426167e-01 -7.995426167e-01 3.78 -7.725299460e-01 -7.725299460e-01 3.80 -7.461378377e-01 -7.461378377e-01 3.82 -7.203746088e-01 -7.203746088e-01 3.84 -6.952555540e-01 -6.952555540e-01 3.86 -6.708015276e-01 -6.708015276e-01 3.88 -6.470367276e-01 -6.470367276e-01 3.90 -6.239858684e-01 -6.239858684e-01 3.92 -6.016708615e-01 -6.016708615e-01 3.94 -5.801088385e-01 -5.801088385e-01 3.96 -5.593083329e-01 -5.593083329e-01 3.98 -5.392689236e-01 -5.392689236e-01 4.00 -5.199805641e-01 -5.199805641e-01 4.02 -5.014241431e-01 -5.014241431e-01 4.04 -4.835727695e-01 -4.835727695e-01 4.06 -4.663934829e-01 -4.663934829e-01 4.08 -4.498490991e-01 -4.498490991e-01 4.10 -4.338993218e-01 -4.338993218e-01 4.12 -4.185049362e-01 -4.185049362e-01 4.14 -4.036247645e-01 -4.036247645e-01 4.16 -3.892195700e-01 -3.892195700e-01 4.18 -3.752518988e-01 -3.752518988e-01 4.20 -3.616865329e-01 -3.616865329e-01 4.22 -3.484908253e-01 -3.484908253e-01 4.24 -3.356349823e-01 -3.356349823e-01 4.26 -3.230923488e-01 -3.230923488e-01 4.28 -3.108397306e-01 -3.108397306e-01 4.30 -2.988577689e-01 -2.988577689e-01 4.32 -2.871313607e-01 -2.871313607e-01 4.34 -2.756500912e-01 -2.756500912e-01 4.36 -2.644086239e-01 -2.644086239e-01 4.38 -2.534069729e-01 -2.534069729e-01 4.40 -2.426505708e-01 -2.426505708e-01 4.42 -2.321500485e-01 -2.321500485e-01 4.44 -2.219206612e-01 -2.219206612e-01 4.46 -2.119813350e-01 -2.119813350e-01 4.48 -2.023533599e-01 -2.023533599e-01 4.50 -1.930588171e-01 -1.930588171e-01 4.52 -1.841188802e-01 -1.841188802e-01 4.54 -1.755521645e-01 -1.755521645e-01 4.56 -1.673733000e-01 -1.673733000e-01 4.58 -1.595918750e-01 -1.595918750e-01 4.60 -1.522118402e-01 -1.522118402e-01 4.62 -1.452313950e-01 -1.452313950e-01 4.64 -1.386433122e-01 -1.386433122e-01 4.66 -1.324356068e-01 -1.324356068e-01 4.68 -1.265924294e-01 -1.265924294e-01 4.70 -1.210950679e-01 -1.210950679e-01 4.72 -1.159229295e-01 -1.159229295e-01 4.74 -1.110544469e-01 -1.110544469e-01 4.76 -1.064678585e-01 -1.064678585e-01 4.78 -1.021418223e-01 -1.021418223e-01 4.80 -9.805546289e-02 -9.805546289e-02 4.82 -9.419038282e-02 -9.419038282e-02 4.84 -9.052817103e-02 -9.052817103e-02 4.86 -8.705236269e-02 -8.705236269e-02 4.88 -8.374795181e-02 -8.374795181e-02 4.90 -8.060128337e-02 -8.060128337e-02 4.92 -7.759975940e-02 -7.759975940e-02 4.94 -7.473243885e-02 -7.473243885e-02 4.96 -7.198953184e-02 -7.198953184e-02 4.98 -6.936221342e-02 -6.936221342e-02 5.00 -6.684252321e-02 -6.684252321e-02 5.02 -6.442326842e-02 -6.442326842e-02 5.04 -6.209793367e-02 -6.209793367e-02 5.06 -5.986059917e-02 -5.986059917e-02 5.08 -5.770586820e-02 -5.770586820e-02 5.10 -5.562880442e-02 -5.562880442e-02 5.12 -5.362487862e-02 -5.362487862e-02 5.14 -5.168992507e-02 -5.168992507e-02 5.16 -4.982010673e-02 -4.982010673e-02 5.18 -4.801188916e-02 -4.801188916e-02 5.20 -4.626202238e-02 -4.626202238e-02 5.22 -4.456753016e-02 -4.456753016e-02 5.24 -4.292570585e-02 -4.292570585e-02 5.26 -4.133411371e-02 -4.133411371e-02 5.28 -3.979059425e-02 -3.979059425e-02 5.30 -3.829327183e-02 -3.829327183e-02 5.32 -3.684056221e-02 -3.684056221e-02 5.34 -3.543117738e-02 -3.543117738e-02 5.36 -3.406412490e-02 -3.406412490e-02 5.38 -3.273869823e-02 -3.273869823e-02 5.40 -3.145445625e-02 -3.145445625e-02 5.42 -3.021118992e-02 -3.021118992e-02 5.44 -2.900887548e-02 -2.900887548e-02 5.46 -2.784761540e-02 -2.784761540e-02 5.48 -2.672757010e-02 -2.672757010e-02 5.50 -2.564888483e-02 -2.564888483e-02 5.52 -2.461161760e-02 -2.461161760e-02 5.54 -2.361567395e-02 -2.361567395e-02 5.56 -2.266075429e-02 -2.266075429e-02 5.58 -2.174631769e-02 -2.174631769e-02 5.60 -2.087156444e-02 -2.087156444e-02 5.62 -2.003543719e-02 -2.003543719e-02 5.64 -1.923663881e-02 -1.923663881e-02 5.66 -1.847366319e-02 -1.847366319e-02 5.68 -1.774483495e-02 -1.774483495e-02 5.70 -1.704835336e-02 -1.704835336e-02 5.72 -1.638233663e-02 -1.638233663e-02 5.74 -1.574486267e-02 -1.574486267e-02 5.76 -1.513396371e-02 -1.513396371e-02 5.78 -1.454772475e-02 -1.454772475e-02 5.80 -1.398431013e-02 -1.398431013e-02 5.82 -1.344195042e-02 -1.344195042e-02 5.84 -1.291895454e-02 -1.291895454e-02 5.86 -1.241371732e-02 -1.241371732e-02 5.88 -1.192472371e-02 -1.192472371e-02 5.90 -1.145055074e-02 -1.145055074e-02 5.92 -1.098986809e-02 -1.098986809e-02 5.94 -1.054143832e-02 -1.054143832e-02 5.96 -1.010411740e-02 -1.010411740e-02 5.98 -9.676856085e-03 -9.676856085e-03 6.00 -9.258702583e-03 -9.258702583e-03