# 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 = Mg2MoPd # 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 3.769859652e+02 3.769859652e+02 1.30 3.492682313e+02 3.492682313e+02 1.32 3.236171317e+02 3.236171317e+02 1.34 2.998767224e+02 2.998767224e+02 1.36 2.779021874e+02 2.779021874e+02 1.38 2.575561675e+02 2.575561675e+02 1.40 2.387078727e+02 2.387078727e+02 1.42 2.212345921e+02 2.212345921e+02 1.44 2.050238860e+02 2.050238860e+02 1.46 1.899746366e+02 1.899746366e+02 1.48 1.759964319e+02 1.759964319e+02 1.50 1.630080342e+02 1.630080342e+02 1.52 1.509358349e+02 1.509358349e+02 1.54 1.397126251e+02 1.397126251e+02 1.56 1.292766674e+02 1.292766674e+02 1.58 1.195709693e+02 1.195709693e+02 1.60 1.105427858e+02 1.105427858e+02 1.62 1.021433877e+02 1.021433877e+02 1.64 9.432839354e+01 9.432839354e+01 1.66 8.705925670e+01 8.705925670e+01 1.68 8.031057631e+01 8.031057631e+01 1.70 7.405540399e+01 7.405540399e+01 1.72 6.825936301e+01 6.825936301e+01 1.74 6.289029511e+01 6.289029511e+01 1.76 5.791757528e+01 5.791757528e+01 1.78 5.331194339e+01 5.331194339e+01 1.80 4.904558945e+01 4.904558945e+01 1.82 4.509233973e+01 4.509233973e+01 1.84 4.142785797e+01 4.142785797e+01 1.86 3.802980179e+01 3.802980179e+01 1.88 3.487787417e+01 3.487787417e+01 1.90 3.195376170e+01 3.195376170e+01 1.92 2.924098046e+01 2.924098046e+01 1.94 2.672466340e+01 2.672466340e+01 1.96 2.439132390e+01 2.439132390e+01 1.98 2.222861362e+01 2.222861362e+01 2.00 2.022509326e+01 2.022509326e+01 2.02 1.837003417e+01 1.837003417e+01 2.04 1.665326845e+01 1.665326845e+01 2.06 1.506509373e+01 1.506509373e+01 2.08 1.359623008e+01 1.359623008e+01 2.10 1.223782614e+01 1.223782614e+01 2.12 1.098150084e+01 1.098150084e+01 2.14 9.819405977e+00 9.819405977e+00 2.16 8.744287294e+00 8.744287294e+00 2.18 7.749520331e+00 7.749520331e+00 2.20 6.829112041e+00 6.829112041e+00 2.22 5.977664687e+00 5.977664687e+00 2.24 5.190317350e+00 5.190317350e+00 2.26 4.462677646e+00 4.462677646e+00 2.28 3.790751567e+00 3.790751567e+00 2.30 3.170881854e+00 3.170881854e+00 2.32 2.599730384e+00 2.599730384e+00 2.34 2.074258296e+00 2.074258296e+00 2.36 1.591326457e+00 1.591326457e+00 2.38 1.147961141e+00 1.147961141e+00 2.40 7.413574993e-01 7.413574993e-01 2.42 3.688591439e-01 3.688591439e-01 2.44 2.794865172e-02 2.794865172e-02 2.46 -2.837567396e-01 -2.837567396e-01 2.48 -5.684250792e-01 -5.684250792e-01 2.50 -8.279203912e-01 -8.279203912e-01 2.52 -1.063987074e+00 -1.063987074e+00 2.54 -1.278254997e+00 -1.278254997e+00 2.56 -1.472219069e+00 -1.472219069e+00 2.58 -1.647232210e+00 -1.647232210e+00 2.60 -1.804516983e+00 -1.804516983e+00 2.62 -1.945486163e+00 -1.945486163e+00 2.64 -2.071177104e+00 -2.071177104e+00 2.66 -2.182327629e+00 -2.182327629e+00 2.68 -2.279651501e+00 -2.279651501e+00 2.70 -2.363843314e+00 -2.363843314e+00 2.72 -2.435580271e+00 -2.435580271e+00 2.74 -2.495521724e+00 -2.495521724e+00 2.76 -2.544320024e+00 -2.544320024e+00 2.78 -2.582672363e+00 -2.582672363e+00 2.80 -2.611274519e+00 -2.611274519e+00 2.82 -2.630799959e+00 -2.630799959e+00 2.84 -2.641909461e+00 -2.641909461e+00 2.86 -2.645260243e+00 -2.645260243e+00 2.88 -2.641514727e+00 -2.641514727e+00 2.90 -2.631346443e+00 -2.631346443e+00 2.92 -2.615441043e+00 -2.615441043e+00 2.94 -2.594491133e+00 -2.594491133e+00 2.96 -2.569185087e+00 -2.569185087e+00 2.98 -2.540191414e+00 -2.540191414e+00 3.00 -2.508141397e+00 -2.508141397e+00 3.02 -2.473612931e+00 -2.473612931e+00 3.04 -2.437117710e+00 -2.437117710e+00 3.06 -2.399094708e+00 -2.399094708e+00 3.08 -2.359906137e+00 -2.359906137e+00 3.10 -2.319841166e+00 -2.319841166e+00 3.12 -2.279121376e+00 -2.279121376e+00 3.14 -2.237911709e+00 -2.237911709e+00 3.16 -2.196327577e+00 -2.196327577e+00 3.18 -2.154448080e+00 -2.154448080e+00 3.20 -2.112325963e+00 -2.112325963e+00 3.22 -2.069997408e+00 -2.069997408e+00 3.24 -2.027490650e+00 -2.027490650e+00 3.26 -1.984853362e+00 -1.984853362e+00 3.28 -1.942148772e+00 -1.942148772e+00 3.30 -1.899347891e+00 -1.899347891e+00 3.32 -1.856435164e+00 -1.856435164e+00 3.34 -1.813416232e+00 -1.813416232e+00 3.36 -1.770317909e+00 -1.770317909e+00 3.38 -1.727174438e+00 -1.727174438e+00 3.40 -1.683895609e+00 -1.683895609e+00 3.42 -1.640349447e+00 -1.640349447e+00 3.44 -1.596470250e+00 -1.596470250e+00 3.46 -1.552259130e+00 -1.552259130e+00 3.48 -1.507778871e+00 -1.507778871e+00 3.50 -1.463145026e+00 -1.463145026e+00 3.52 -1.418513752e+00 -1.418513752e+00 3.54 -1.374067581e+00 -1.374067581e+00 3.56 -1.330000637e+00 -1.330000637e+00 3.58 -1.286504791e+00 -1.286504791e+00 3.60 -1.243757967e+00 -1.243757967e+00 3.62 -1.201915390e+00 -1.201915390e+00 3.64 -1.161104039e+00 -1.161104039e+00 3.66 -1.121420181e+00 -1.121420181e+00 3.68 -1.082929528e+00 -1.082929528e+00 3.70 -1.045669405e+00 -1.045669405e+00 3.72 -1.009652261e+00 -1.009652261e+00 3.74 -9.748699424e-01 -9.748699424e-01 3.76 -9.412981892e-01 -9.412981892e-01 3.78 -9.089009925e-01 -9.089009925e-01 3.80 -8.776345207e-01 -8.776345207e-01 3.82 -8.474504434e-01 -8.474504434e-01 3.84 -8.182985632e-01 -8.182985632e-01 3.86 -7.901287422e-01 -7.901287422e-01 3.88 -7.628921890e-01 -7.628921890e-01 3.90 -7.365422319e-01 -7.365422319e-01 3.92 -7.110345431e-01 -7.110345431e-01 3.94 -6.863282964e-01 -6.863282964e-01 3.96 -6.623850558e-01 -6.623850558e-01 3.98 -6.391701337e-01 -6.391701337e-01 4.00 -6.166528090e-01 -6.166528090e-01 4.02 -5.948068515e-01 -5.948068515e-01 4.04 -5.736109730e-01 -5.736109730e-01 4.06 -5.530490694e-01 -5.530490694e-01 4.08 -5.331101321e-01 -5.331101321e-01 4.10 -5.137871203e-01 -5.137871203e-01 4.12 -4.950786927e-01 -4.950786927e-01 4.14 -4.769837263e-01 -4.769837263e-01 4.16 -4.595027567e-01 -4.595027567e-01 4.18 -4.426355937e-01 -4.426355937e-01 4.20 -4.263798492e-01 -4.263798492e-01 4.22 -4.107297590e-01 -4.107297590e-01 4.24 -3.956754114e-01 -3.956754114e-01 4.26 -3.812024344e-01 -3.812024344e-01 4.28 -3.672921149e-01 -3.672921149e-01 4.30 -3.539218710e-01 -3.539218710e-01 4.32 -3.410659647e-01 -3.410659647e-01 4.34 -3.286963359e-01 -3.286963359e-01 4.36 -3.167834546e-01 -3.167834546e-01 4.38 -3.052971129e-01 -3.052971129e-01 4.40 -2.942071128e-01 -2.942071128e-01 4.42 -2.834838314e-01 -2.834838314e-01 4.44 -2.730986694e-01 -2.730986694e-01 4.46 -2.630244016e-01 -2.630244016e-01 4.48 -2.532354572e-01 -2.532354572e-01 4.50 -2.437081582e-01 -2.437081582e-01 4.52 -2.344209410e-01 -2.344209410e-01 4.54 -2.253545817e-01 -2.253545817e-01 4.56 -2.164924354e-01 -2.164924354e-01 4.58 -2.078206922e-01 -2.078206922e-01 4.60 -1.993286396e-01 -1.993286396e-01 4.62 -1.910089117e-01 -1.910089117e-01 4.64 -1.828576946e-01 -1.828576946e-01 4.66 -1.748748506e-01 -1.748748506e-01 4.68 -1.670639176e-01 -1.670639176e-01 4.70 -1.594319463e-01 -1.594319463e-01 4.72 -1.519891434e-01 -1.519891434e-01 4.74 -1.447483095e-01 -1.447483095e-01 4.76 -1.377240809e-01 -1.377240809e-01 4.78 -1.309320147e-01 -1.309320147e-01 4.80 -1.243871785e-01 -1.243871785e-01 4.82 -1.181047972e-01 -1.181047972e-01 4.84 -1.120966811e-01 -1.120966811e-01 4.86 -1.063722741e-01 -1.063722741e-01 4.88 -1.009375998e-01 -1.009375998e-01 4.90 -9.579495132e-02 -9.579495132e-02 4.92 -9.094285191e-02 -9.094285191e-02 4.94 -8.637623116e-02 -8.637623116e-02 4.96 -8.208681218e-02 -8.208681218e-02 4.98 -7.806363790e-02 -7.806363790e-02 5.00 -7.429366021e-02 -7.429366021e-02 5.02 -7.076234499e-02 -7.076234499e-02 5.04 -6.745424776e-02 -6.745424776e-02 5.06 -6.435352778e-02 -6.435352778e-02 5.08 -6.144383383e-02 -6.144383383e-02 5.10 -5.870957871e-02 -5.870957871e-02 5.12 -5.613637394e-02 -5.613637394e-02 5.14 -5.371052326e-02 -5.371052326e-02 5.16 -5.141918663e-02 -5.141918663e-02 5.18 -4.925047782e-02 -4.925047782e-02 5.20 -4.719351147e-02 -4.719351147e-02 5.22 -4.523841350e-02 -4.523841350e-02 5.24 -4.337630658e-02 -4.337630658e-02 5.26 -4.159927969e-02 -4.159927969e-02 5.28 -3.990034809e-02 -3.990034809e-02 5.30 -3.827340797e-02 -3.827340797e-02 5.32 -3.671318796e-02 -3.671318796e-02 5.34 -3.521519773e-02 -3.521519773e-02 5.36 -3.377567305e-02 -3.377567305e-02 5.38 -3.239151534e-02 -3.239151534e-02 5.40 -3.106022428e-02 -3.106022428e-02 5.42 -2.977982183e-02 -2.977982183e-02 5.44 -2.854876730e-02 -2.854876730e-02 5.46 -2.736586442e-02 -2.736586442e-02 5.48 -2.623016321e-02 -2.623016321e-02 5.50 -2.514086073e-02 -2.514086073e-02 5.52 -2.409720620e-02 -2.409720620e-02 5.54 -2.309841610e-02 -2.309841610e-02 5.56 -2.214360435e-02 -2.214360435e-02 5.58 -2.123173145e-02 -2.123173145e-02 5.60 -2.036157430e-02 -2.036157430e-02 5.62 -1.953171656e-02 -1.953171656e-02 5.64 -1.874055710e-02 -1.874055710e-02 5.66 -1.798633290e-02 -1.798633290e-02 5.68 -1.726715188e-02 -1.726715188e-02 5.70 -1.658103101e-02 -1.658103101e-02 5.72 -1.592593559e-02 -1.592593559e-02 5.74 -1.529981602e-02 -1.529981602e-02 5.76 -1.470061528e-02 -1.470061528e-02 5.78 -1.412633724e-02 -1.412633724e-02 5.80 -1.357506940e-02 -1.357506940e-02 5.82 -1.304497957e-02 -1.304497957e-02 5.84 -1.253432588e-02 -1.253432588e-02 5.86 -1.204146261e-02 -1.204146261e-02 5.88 -1.156484285e-02 -1.156484285e-02 5.90 -1.110301907e-02 -1.110301907e-02 5.92 -1.065464249e-02 -1.065464249e-02 5.94 -1.021846228e-02 -1.021846228e-02 5.96 -9.793324989e-03 -9.793324989e-03 5.98 -9.378175076e-03 -9.378175076e-03 6.00 -8.972056681e-03 -8.972056681e-03