# 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 = AlTiZr2 # 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 2.755740863e+02 2.755740863e+02 1.30 2.565732925e+02 2.565732925e+02 1.32 2.389264212e+02 2.389264212e+02 1.34 2.225270170e+02 2.225270170e+02 1.36 2.072778325e+02 2.072778325e+02 1.38 1.930913059e+02 1.930913059e+02 1.40 1.798884833e+02 1.798884833e+02 1.42 1.675966364e+02 1.675966364e+02 1.44 1.561472504e+02 1.561472504e+02 1.46 1.454756344e+02 1.454756344e+02 1.48 1.355219078e+02 1.355219078e+02 1.50 1.262320500e+02 1.262320500e+02 1.52 1.175580203e+02 1.175580203e+02 1.54 1.094568488e+02 1.094568488e+02 1.56 1.018895233e+02 1.018895233e+02 1.58 9.482021844e+01 9.482021844e+01 1.60 8.821576247e+01 8.821576247e+01 1.62 8.204510310e+01 8.204510310e+01 1.64 7.627888152e+01 7.627888152e+01 1.66 7.088919599e+01 7.088919599e+01 1.68 6.584962394e+01 6.584962394e+01 1.70 6.113550714e+01 6.113550714e+01 1.72 5.672417667e+01 5.672417667e+01 1.74 5.259500226e+01 5.259500226e+01 1.76 4.872920144e+01 4.872920144e+01 1.78 4.510956506e+01 4.510956506e+01 1.80 4.172016931e+01 4.172016931e+01 1.82 3.854616852e+01 3.854616852e+01 1.84 3.557358358e+01 3.557358358e+01 1.86 3.278926028e+01 3.278926028e+01 1.88 3.018086319e+01 3.018086319e+01 1.90 2.773688870e+01 2.773688870e+01 1.92 2.544660958e+01 2.544660958e+01 1.94 2.330025207e+01 2.330025207e+01 1.96 2.128921500e+01 2.128921500e+01 1.98 1.940479300e+01 1.940479300e+01 2.00 1.763907145e+01 1.763907145e+01 2.02 1.598509345e+01 1.598509345e+01 2.04 1.443735075e+01 1.443735075e+01 2.06 1.298973793e+01 1.298973793e+01 2.08 1.163640226e+01 1.163640226e+01 2.10 1.037175097e+01 1.037175097e+01 2.12 9.190403665e+00 9.190403665e+00 2.14 8.087198118e+00 8.087198118e+00 2.16 7.057235181e+00 7.057235181e+00 2.18 6.095904784e+00 6.095904784e+00 2.20 5.198900333e+00 5.198900333e+00 2.22 4.362185560e+00 4.362185560e+00 2.24 3.581969453e+00 3.581969453e+00 2.26 2.854698576e+00 2.854698576e+00 2.28 2.177052835e+00 2.177052835e+00 2.30 1.545985017e+00 1.545985017e+00 2.32 9.586934703e-01 9.586934703e-01 2.34 4.126348493e-01 4.126348493e-01 2.36 -9.452555528e-02 -9.452555528e-02 2.38 -5.649512116e-01 -5.649512116e-01 2.40 -1.000680299e+00 -1.000680299e+00 2.42 -1.403676796e+00 -1.403676796e+00 2.44 -1.775858584e+00 -1.775858584e+00 2.46 -2.119123647e+00 -2.119123647e+00 2.48 -2.435348006e+00 -2.435348006e+00 2.50 -2.726368308e+00 -2.726368308e+00 2.52 -2.993955843e+00 -2.993955843e+00 2.54 -3.239791541e+00 -3.239791541e+00 2.56 -3.465448689e+00 -3.465448689e+00 2.58 -3.672385783e+00 -3.672385783e+00 2.60 -3.861947764e+00 -3.861947764e+00 2.62 -4.035368464e+00 -4.035368464e+00 2.64 -4.193786294e+00 -4.193786294e+00 2.66 -4.338228891e+00 -4.338228891e+00 2.68 -4.469629283e+00 -4.469629283e+00 2.70 -4.588828439e+00 -4.588828439e+00 2.72 -4.696585399e+00 -4.696585399e+00 2.74 -4.793589429e+00 -4.793589429e+00 2.76 -4.880471901e+00 -4.880471901e+00 2.78 -4.957908395e+00 -4.957908395e+00 2.80 -5.026419594e+00 -5.026419594e+00 2.82 -5.086398256e+00 -5.086398256e+00 2.84 -5.138231058e+00 -5.138231058e+00 2.86 -5.182294878e+00 -5.182294878e+00 2.88 -5.218958328e+00 -5.218958328e+00 2.90 -5.248584329e+00 -5.248584329e+00 2.92 -5.271533155e+00 -5.271533155e+00 2.94 -5.288164822e+00 -5.288164822e+00 2.96 -5.298750115e+00 -5.298750115e+00 2.98 -5.303422362e+00 -5.303422362e+00 3.00 -5.302353228e+00 -5.302353228e+00 3.02 -5.295767063e+00 -5.295767063e+00 3.04 -5.283961420e+00 -5.283961420e+00 3.06 -5.267232624e+00 -5.267232624e+00 3.08 -5.245862504e+00 -5.245862504e+00 3.10 -5.220149611e+00 -5.220149611e+00 3.12 -5.190390556e+00 -5.190390556e+00 3.14 -5.156884208e+00 -5.156884208e+00 3.16 -5.119909043e+00 -5.119909043e+00 3.18 -5.080014823e+00 -5.080014823e+00 3.20 -5.037821399e+00 -5.037821399e+00 3.22 -4.993365060e+00 -4.993365060e+00 3.24 -4.946671785e+00 -4.946671785e+00 3.26 -4.897760464e+00 -4.897760464e+00 3.28 -4.846685157e+00 -4.846685157e+00 3.30 -4.793533500e+00 -4.793533500e+00 3.32 -4.738420617e+00 -4.738420617e+00 3.34 -4.681481263e+00 -4.681481263e+00 3.36 -4.622861678e+00 -4.622861678e+00 3.38 -4.562717063e+00 -4.562717063e+00 3.40 -4.501197848e+00 -4.501197848e+00 3.42 -4.438446950e+00 -4.438446950e+00 3.44 -4.374589430e+00 -4.374589430e+00 3.46 -4.309741695e+00 -4.309741695e+00 3.48 -4.244013014e+00 -4.244013014e+00 3.50 -4.177509011e+00 -4.177509011e+00 3.52 -4.110334303e+00 -4.110334303e+00 3.54 -4.042593763e+00 -4.042593763e+00 3.56 -3.974392281e+00 -3.974392281e+00 3.58 -3.905833252e+00 -3.905833252e+00 3.60 -3.837016259e+00 -3.837016259e+00 3.62 -3.768034580e+00 -3.768034580e+00 3.64 -3.698973109e+00 -3.698973109e+00 3.66 -3.629907161e+00 -3.629907161e+00 3.68 -3.560902400e+00 -3.560902400e+00 3.70 -3.492015905e+00 -3.492015905e+00 3.72 -3.423298208e+00 -3.423298208e+00 3.74 -3.354796067e+00 -3.354796067e+00 3.76 -3.286555649e+00 -3.286555649e+00 3.78 -3.218625784e+00 -3.218625784e+00 3.80 -3.151060839e+00 -3.151060839e+00 3.82 -3.083922767e+00 -3.083922767e+00 3.84 -3.017281818e+00 -3.017281818e+00 3.86 -2.951215556e+00 -2.951215556e+00 3.88 -2.885806070e+00 -2.885806070e+00 3.90 -2.821135655e+00 -2.821135655e+00 3.92 -2.757278438e+00 -2.757278438e+00 3.94 -2.694308659e+00 -2.694308659e+00 3.96 -2.632275447e+00 -2.632275447e+00 3.98 -2.571215389e+00 -2.571215389e+00 4.00 -2.511148191e+00 -2.511148191e+00 4.02 -2.452078127e+00 -2.452078127e+00 4.04 -2.393996787e+00 -2.393996787e+00 4.06 -2.336886492e+00 -2.336886492e+00 4.08 -2.280723827e+00 -2.280723827e+00 4.10 -2.225475545e+00 -2.225475545e+00 4.12 -2.171131916e+00 -2.171131916e+00 4.14 -2.117660602e+00 -2.117660602e+00 4.16 -2.065042212e+00 -2.065042212e+00 4.18 -2.013262453e+00 -2.013262453e+00 4.20 -1.962312896e+00 -1.962312896e+00 4.22 -1.912191402e+00 -1.912191402e+00 4.24 -1.862902196e+00 -1.862902196e+00 4.26 -1.814455574e+00 -1.814455574e+00 4.28 -1.766867197e+00 -1.766867197e+00 4.30 -1.720156985e+00 -1.720156985e+00 4.32 -1.674347620e+00 -1.674347620e+00 4.34 -1.629462765e+00 -1.629462765e+00 4.36 -1.585525119e+00 -1.585525119e+00 4.38 -1.542554513e+00 -1.542554513e+00 4.40 -1.500566211e+00 -1.500566211e+00 4.42 -1.459569580e+00 -1.459569580e+00 4.44 -1.419567230e+00 -1.419567230e+00 4.46 -1.380554661e+00 -1.380554661e+00 4.48 -1.342520376e+00 -1.342520376e+00 4.50 -1.305446380e+00 -1.305446380e+00 4.52 -1.269308949e+00 -1.269308949e+00 4.54 -1.234079551e+00 -1.234079551e+00 4.56 -1.199725823e+00 -1.199725823e+00 4.58 -1.166212512e+00 -1.166212512e+00 4.60 -1.133502357e+00 -1.133502357e+00 4.62 -1.101556863e+00 -1.101556863e+00 4.64 -1.070336999e+00 -1.070336999e+00 4.66 -1.039803811e+00 -1.039803811e+00 4.68 -1.009918997e+00 -1.009918997e+00 4.70 -9.806454586e-01 -9.806454586e-01 4.72 -9.519478573e-01 -9.519478573e-01 4.74 -9.237932016e-01 -9.237932016e-01 4.76 -8.961514671e-01 -8.961514671e-01 4.78 -8.689962524e-01 -8.689962524e-01 4.80 -8.422994669e-01 -8.422994669e-01 4.82 -8.160569656e-01 -8.160569656e-01 4.84 -7.902500283e-01 -7.902500283e-01 4.86 -7.648732248e-01 -7.648732248e-01 4.88 -7.399275355e-01 -7.399275355e-01 4.90 -7.154204314e-01 -7.154204314e-01 4.92 -6.913656429e-01 -6.913656429e-01 4.94 -6.677825691e-01 -6.677825691e-01 4.96 -6.446953100e-01 -6.446953100e-01 4.98 -6.221313406e-01 -6.221313406e-01 5.00 -6.001198907e-01 -6.001198907e-01 5.02 -5.786901331e-01 -5.786901331e-01 5.04 -5.578693187e-01 -5.578693187e-01 5.06 -5.376810082e-01 -5.376810082e-01 5.08 -5.181435506e-01 -5.181435506e-01 5.10 -4.992689279e-01 -4.992689279e-01 5.12 -4.810620506e-01 -4.810620506e-01 5.14 -4.635205324e-01 -4.635205324e-01 5.16 -4.466349249e-01 -4.466349249e-01 5.18 -4.303893534e-01 -4.303893534e-01 5.20 -4.147624617e-01 -4.147624617e-01 5.22 -3.997285652e-01 -3.997285652e-01 5.24 -3.852589116e-01 -3.852589116e-01 5.26 -3.713229592e-01 -3.713229592e-01 5.28 -3.578896007e-01 -3.578896007e-01 5.30 -3.449282776e-01 -3.449282776e-01 5.32 -3.324099483e-01 -3.324099483e-01 5.34 -3.203078813e-01 -3.203078813e-01 5.36 -3.085982579e-01 -3.085982579e-01 5.38 -2.972605711e-01 -2.972605711e-01 5.40 -2.862778136e-01 -2.862778136e-01 5.42 -2.756364539e-01 -2.756364539e-01 5.44 -2.653262070e-01 -2.653262070e-01 5.46 -2.553396202e-01 -2.553396202e-01 5.48 -2.456715047e-01 -2.456715047e-01 5.50 -2.363182627e-01 -2.363182627e-01 5.52 -2.272771680e-01 -2.272771680e-01 5.54 -2.185456646e-01 -2.185456646e-01 5.56 -2.101207484e-01 -2.101207484e-01 5.58 -2.019984834e-01 -2.019984834e-01 5.60 -1.941736873e-01 -1.941736873e-01 5.62 -1.866398004e-01 -1.866398004e-01 5.64 -1.793889263e-01 -1.793889263e-01 5.66 -1.724120160e-01 -1.724120160e-01 5.68 -1.656991508e-01 -1.656991508e-01 5.70 -1.592398743e-01 -1.592398743e-01 5.72 -1.530235234e-01 -1.530235234e-01 5.74 -1.470395193e-01 -1.470395193e-01 5.76 -1.412775834e-01 -1.412775834e-01 5.78 -1.357278643e-01 -1.357278643e-01 5.80 -1.303809710e-01 -1.303809710e-01 5.82 -1.252279200e-01 -1.252279200e-01 5.84 -1.202597864e-01 -1.202597864e-01 5.86 -1.154679923e-01 -1.154679923e-01 5.88 -1.108441313e-01 -1.108441313e-01 5.90 -1.063795770e-01 -1.063795770e-01 5.92 -1.020653865e-01 -1.020653865e-01 5.94 -9.789225622e-02 -9.789225622e-02 5.96 -9.385053774e-02 -9.385053774e-02 5.98 -8.993031379e-02 -8.993031379e-02 6.00 -8.612152903e-02 -8.612152903e-02