# 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 = Al2MgMo # 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 1.921397309e+02 1.921397309e+02 1.30 1.783308034e+02 1.783308034e+02 1.32 1.655402853e+02 1.655402853e+02 1.34 1.536843408e+02 1.536843408e+02 1.36 1.426861180e+02 1.426861180e+02 1.38 1.324769095e+02 1.324769095e+02 1.40 1.229956485e+02 1.229956485e+02 1.42 1.141869145e+02 1.141869145e+02 1.44 1.059986773e+02 1.059986773e+02 1.46 9.838107716e+01 9.838107716e+01 1.48 9.128701709e+01 9.128701709e+01 1.50 8.467404303e+01 8.467404303e+01 1.52 7.850577910e+01 7.850577910e+01 1.54 7.275167499e+01 7.275167499e+01 1.56 6.738547904e+01 6.738547904e+01 1.58 6.238355961e+01 6.238355961e+01 1.60 5.772366948e+01 5.772366948e+01 1.62 5.338485896e+01 5.338485896e+01 1.64 4.934757253e+01 4.934757253e+01 1.66 4.559010208e+01 4.559010208e+01 1.68 4.209073519e+01 4.209073519e+01 1.70 3.882929784e+01 3.882929784e+01 1.72 3.579044076e+01 3.579044076e+01 1.74 3.295834105e+01 3.295834105e+01 1.76 3.031833448e+01 3.031833448e+01 1.78 2.785740859e+01 2.785740859e+01 1.80 2.556388903e+01 2.556388903e+01 1.82 2.342722952e+01 2.342722952e+01 1.84 2.143785248e+01 2.143785248e+01 1.86 1.958698902e+01 1.958698902e+01 1.88 1.786649006e+01 1.786649006e+01 1.90 1.626861675e+01 1.626861675e+01 1.92 1.478583128e+01 1.478583128e+01 1.94 1.341062893e+01 1.341062893e+01 1.96 1.213546385e+01 1.213546385e+01 1.98 1.095280593e+01 1.095280593e+01 2.00 9.855319805e+00 9.855319805e+00 2.02 8.836097954e+00 8.836097954e+00 2.04 7.888846053e+00 7.888846053e+00 2.06 7.007941545e+00 7.007941545e+00 2.08 6.188361992e+00 6.188361992e+00 2.10 5.425550360e+00 5.425550360e+00 2.12 4.715295060e+00 4.715295060e+00 2.14 4.053668679e+00 4.053668679e+00 2.16 3.437024443e+00 3.437024443e+00 2.18 2.862022889e+00 2.862022889e+00 2.20 2.325660773e+00 2.325660773e+00 2.22 1.825280099e+00 1.825280099e+00 2.24 1.358553276e+00 1.358553276e+00 2.26 9.234487480e-01 9.234487480e-01 2.28 5.181863014e-01 5.181863014e-01 2.30 1.411941903e-01 1.411941903e-01 2.32 -2.089312788e-01 -2.089312788e-01 2.34 -5.334571705e-01 -5.334571705e-01 2.36 -8.335232408e-01 -8.335232408e-01 2.38 -1.110097841e+00 -1.110097841e+00 2.40 -1.364268505e+00 -1.364268505e+00 2.42 -1.597103064e+00 -1.597103064e+00 2.44 -1.809638700e+00 -1.809638700e+00 2.46 -2.002909167e+00 -2.002909167e+00 2.48 -2.177966973e+00 -2.177966973e+00 2.50 -2.335900966e+00 -2.335900966e+00 2.52 -2.477849850e+00 -2.477849850e+00 2.54 -2.604996586e+00 -2.604996586e+00 2.56 -2.718445383e+00 -2.718445383e+00 2.58 -2.819299425e+00 -2.819299425e+00 2.60 -2.908724445e+00 -2.908724445e+00 2.62 -2.987905053e+00 -2.987905053e+00 2.64 -3.057982556e+00 -3.057982556e+00 2.66 -3.119986977e+00 -3.119986977e+00 2.68 -3.174784190e+00 -3.174784190e+00 2.70 -3.223050739e+00 -3.223050739e+00 2.72 -3.265280534e+00 -3.265280534e+00 2.74 -3.301815794e+00 -3.301815794e+00 2.76 -3.333262650e+00 -3.333262650e+00 2.78 -3.360720076e+00 -3.360720076e+00 2.80 -3.383960165e+00 -3.383960165e+00 2.82 -3.402724472e+00 -3.402724472e+00 2.84 -3.416821461e+00 -3.416821461e+00 2.86 -3.426123525e+00 -3.426123525e+00 2.88 -3.430561639e+00 -3.430561639e+00 2.90 -3.430119448e+00 -3.430119448e+00 2.92 -3.424828204e+00 -3.424828204e+00 2.94 -3.414768895e+00 -3.414768895e+00 2.96 -3.400088975e+00 -3.400088975e+00 2.98 -3.380983325e+00 -3.380983325e+00 3.00 -3.357686378e+00 -3.357686378e+00 3.02 -3.330471882e+00 -3.330471882e+00 3.04 -3.299648746e+00 -3.299648746e+00 3.06 -3.265553014e+00 -3.265553014e+00 3.08 -3.228531883e+00 -3.228531883e+00 3.10 -3.188926503e+00 -3.188926503e+00 3.12 -3.147052425e+00 -3.147052425e+00 3.14 -3.103184122e+00 -3.103184122e+00 3.16 -3.057544031e+00 -3.057544031e+00 3.18 -3.010300846e+00 -3.010300846e+00 3.20 -2.961574041e+00 -2.961574041e+00 3.22 -2.911455158e+00 -2.911455158e+00 3.24 -2.860001449e+00 -2.860001449e+00 3.26 -2.807239631e+00 -2.807239631e+00 3.28 -2.753202873e+00 -2.753202873e+00 3.30 -2.697940825e+00 -2.697940825e+00 3.32 -2.641527765e+00 -2.641527765e+00 3.34 -2.584068541e+00 -2.584068541e+00 3.36 -2.525702146e+00 -2.525702146e+00 3.38 -2.466602805e+00 -2.466602805e+00 3.40 -2.406978293e+00 -2.406978293e+00 3.42 -2.347061239e+00 -2.347061239e+00 3.44 -2.287098146e+00 -2.287098146e+00 3.46 -2.227351623e+00 -2.227351623e+00 3.48 -2.168090301e+00 -2.168090301e+00 3.50 -2.109577033e+00 -2.109577033e+00 3.52 -2.052057607e+00 -2.052057607e+00 3.54 -1.995750967e+00 -1.995750967e+00 3.56 -1.940841744e+00 -1.940841744e+00 3.58 -1.887475548e+00 -1.887475548e+00 3.60 -1.835757151e+00 -1.835757151e+00 3.62 -1.785751289e+00 -1.785751289e+00 3.64 -1.737485623e+00 -1.737485623e+00 3.66 -1.690955219e+00 -1.690955219e+00 3.68 -1.646127925e+00 -1.646127925e+00 3.70 -1.602950038e+00 -1.602950038e+00 3.72 -1.561351824e+00 -1.561351824e+00 3.74 -1.521252553e+00 -1.521252553e+00 3.76 -1.482564846e+00 -1.482564846e+00 3.78 -1.445198258e+00 -1.445198258e+00 3.80 -1.409062084e+00 -1.409062084e+00 3.82 -1.374067422e+00 -1.374067422e+00 3.84 -1.340128590e+00 -1.340128590e+00 3.86 -1.307163967e+00 -1.307163967e+00 3.88 -1.275096378e+00 -1.275096378e+00 3.90 -1.243853125e+00 -1.243853125e+00 3.92 -1.213365664e+00 -1.213365664e+00 3.94 -1.183569781e+00 -1.183569781e+00 3.96 -1.154404405e+00 -1.154404405e+00 3.98 -1.125811866e+00 -1.125811866e+00 4.00 -1.097737517e+00 -1.097737517e+00 4.02 -1.070129660e+00 -1.070129660e+00 4.04 -1.042939639e+00 -1.042939639e+00 4.06 -1.016122129e+00 -1.016122129e+00 4.08 -9.896356475e-01 -9.896356475e-01 4.10 -9.634429713e-01 -9.634429713e-01 4.12 -9.375134175e-01 -9.375134175e-01 4.14 -9.118219314e-01 -9.118219314e-01 4.16 -8.863518678e-01 -8.863518678e-01 4.18 -8.610959503e-01 -8.610959503e-01 4.20 -8.360575065e-01 -8.360575065e-01 4.22 -8.112513891e-01 -8.112513891e-01 4.24 -7.867043619e-01 -7.867043619e-01 4.26 -7.624547375e-01 -7.624547375e-01 4.28 -7.385511054e-01 -7.385511054e-01 4.30 -7.150500892e-01 -7.150500892e-01 4.32 -6.920132052e-01 -6.920132052e-01 4.34 -6.695030460e-01 -6.695030460e-01 4.36 -6.475791391e-01 -6.475791391e-01 4.38 -6.262939108e-01 -6.262939108e-01 4.40 -6.056891834e-01 -6.056891834e-01 4.42 -5.857935567e-01 -5.857935567e-01 4.44 -5.666208853e-01 -5.666208853e-01 4.46 -5.481698990e-01 -5.481698990e-01 4.48 -5.304248590e-01 -5.304248590e-01 4.50 -5.133570302e-01 -5.133570302e-01 4.52 -4.969266934e-01 -4.969266934e-01 4.54 -4.810854210e-01 -4.810854210e-01 4.56 -4.657783800e-01 -4.657783800e-01 4.58 -4.509464876e-01 -4.509464876e-01 4.60 -4.365283209e-01 -4.365283209e-01 4.62 -4.224617412e-01 -4.224617412e-01 4.64 -4.086852452e-01 -4.086852452e-01 4.66 -3.951390909e-01 -3.951390909e-01 4.68 -3.817662628e-01 -3.817662628e-01 4.70 -3.685133465e-01 -3.685133465e-01 4.72 -3.553313785e-01 -3.553313785e-01 4.74 -3.421767239e-01 -3.421767239e-01 4.76 -3.290120156e-01 -3.290120156e-01 4.78 -3.158071660e-01 -3.158071660e-01 4.80 -3.025402502e-01 -3.025402502e-01 4.82 -2.891993480e-01 -2.891993480e-01 4.84 -2.757823443e-01 -2.757823443e-01 4.86 -2.622986029e-01 -2.622986029e-01 4.88 -2.487692796e-01 -2.487692796e-01 4.90 -2.352274302e-01 -2.352274302e-01 4.92 -2.217175724e-01 -2.217175724e-01 4.94 -2.082946139e-01 -2.082946139e-01 4.96 -1.950221147e-01 -1.950221147e-01 4.98 -1.819699185e-01 -1.819699185e-01 5.00 -1.692112683e-01 -1.692112683e-01 5.02 -1.568195970e-01 -1.568195970e-01 5.04 -1.448652328e-01 -1.448652328e-01 5.06 -1.334122844e-01 -1.334122844e-01 5.08 -1.225159576e-01 -1.225159576e-01 5.10 -1.122205052e-01 -1.122205052e-01 5.12 -1.025579368e-01 -1.025579368e-01 5.14 -9.354752836e-02 -9.354752836e-02 5.16 -8.519608509e-02 -8.519608509e-02 5.18 -7.749884616e-02 -7.749884616e-02 5.20 -7.044087285e-02 -7.044087285e-02 5.22 -6.399874603e-02 -6.399874603e-02 5.24 -5.814240318e-02 -5.814240318e-02 5.26 -5.283697824e-02 -5.283697824e-02 5.28 -4.804451891e-02 -4.804451891e-02 5.30 -4.372548704e-02 -4.372548704e-02 5.32 -3.984005433e-02 -3.984005433e-02 5.34 -3.634913944e-02 -3.634913944e-02 5.36 -3.321515740e-02 -3.321515740e-02 5.38 -3.040186428e-02 -3.040186428e-02 5.40 -2.787641625e-02 -2.787641625e-02 5.42 -2.560887617e-02 -2.560887617e-02 5.44 -2.357191587e-02 -2.357191587e-02 5.46 -2.174080106e-02 -2.174080106e-02 5.48 -2.009319639e-02 -2.009319639e-02 5.50 -1.860906801e-02 -1.860906801e-02 5.52 -1.727052912e-02 -1.727052912e-02 5.54 -1.606165488e-02 -1.606165488e-02 5.56 -1.496828631e-02 -1.496828631e-02 5.58 -1.397783716e-02 -1.397783716e-02 5.60 -1.307911264e-02 -1.307911264e-02 5.62 -1.226214537e-02 -1.226214537e-02 5.64 -1.151805036e-02 -1.151805036e-02 5.66 -1.083889926e-02 -1.083889926e-02 5.68 -1.021761186e-02 -1.021761186e-02 5.70 -9.647862855e-03 -9.647862855e-03 5.72 -9.124001219e-03 -9.124001219e-03 5.74 -8.640979727e-03 -8.640979727e-03 5.76 -8.194292740e-03 -8.194292740e-03 5.78 -7.779920578e-03 -7.779920578e-03 5.80 -7.394279361e-03 -7.394279361e-03 5.82 -7.034175526e-03 -7.034175526e-03 5.84 -6.696764513e-03 -6.696764513e-03 5.86 -6.379513305e-03 -6.379513305e-03 5.88 -6.080166634e-03 -6.080166634e-03 5.90 -5.796716732e-03 -5.796716732e-03 5.92 -5.527376520e-03 -5.527376520e-03 5.94 -5.270556152e-03 -5.270556152e-03 5.96 -5.024842804e-03 -5.024842804e-03 5.98 -4.788983565e-03 -4.788983565e-03 6.00 -4.561871304e-03 -4.561871304e-03