# 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 = AlTi2Zr # 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 2.425142508e+02 2.425142508e+02 1.30 2.254435217e+02 2.254435217e+02 1.32 2.096074613e+02 2.096074613e+02 1.34 1.949078830e+02 1.949078830e+02 1.36 1.812547700e+02 1.812547700e+02 1.38 1.685668925e+02 1.685668925e+02 1.40 1.567709967e+02 1.567709967e+02 1.42 1.457999313e+02 1.457999313e+02 1.44 1.355910667e+02 1.355910667e+02 1.46 1.260859292e+02 1.260859292e+02 1.48 1.172307667e+02 1.172307667e+02 1.50 1.089771097e+02 1.089771097e+02 1.52 1.012816008e+02 1.012816008e+02 1.54 9.410512347e+01 9.410512347e+01 1.56 8.741183451e+01 8.741183451e+01 1.58 8.116856333e+01 8.116856333e+01 1.60 7.534444444e+01 7.534444444e+01 1.62 6.991061219e+01 6.991061219e+01 1.64 6.483992821e+01 6.483992821e+01 1.66 6.010676057e+01 6.010676057e+01 1.68 5.568689689e+01 5.568689689e+01 1.70 5.155771283e+01 5.155771283e+01 1.72 4.769844848e+01 4.769844848e+01 1.74 4.409034940e+01 4.409034940e+01 1.76 4.071650118e+01 4.071650118e+01 1.78 3.756149238e+01 3.756149238e+01 1.80 3.461108824e+01 3.461108824e+01 1.82 3.185205080e+01 3.185205080e+01 1.84 2.927199215e+01 2.927199215e+01 1.86 2.685930990e+01 2.685930990e+01 1.88 2.460340010e+01 2.460340010e+01 1.90 2.249456418e+01 2.249456418e+01 1.92 2.052341426e+01 2.052341426e+01 1.94 1.868136080e+01 1.868136080e+01 1.96 1.696101471e+01 1.696101471e+01 1.98 1.535427980e+01 1.535427980e+01 2.00 1.385359359e+01 1.385359359e+01 2.02 1.245201696e+01 1.245201696e+01 2.04 1.114319451e+01 1.114319451e+01 2.06 9.921271450e+00 9.921271450e+00 2.08 8.780806408e+00 8.780806408e+00 2.10 7.716707400e+00 7.716707400e+00 2.12 6.724206016e+00 6.724206016e+00 2.14 5.798840437e+00 5.798840437e+00 2.16 4.936450685e+00 4.936450685e+00 2.18 4.133156776e+00 4.133156776e+00 2.20 3.385329732e+00 3.385329732e+00 2.22 2.689542421e+00 2.689542421e+00 2.24 2.042535819e+00 2.042535819e+00 2.26 1.441209690e+00 1.441209690e+00 2.28 8.826348466e-01 8.826348466e-01 2.30 3.640882997e-01 3.640882997e-01 2.32 -1.169427347e-01 -1.169427347e-01 2.34 -5.627413198e-01 -5.627413198e-01 2.36 -9.753906423e-01 -9.753906423e-01 2.38 -1.356799616e+00 -1.356799616e+00 2.40 -1.708739121e+00 -1.708739121e+00 2.42 -2.032884442e+00 -2.032884442e+00 2.44 -2.330847358e+00 -2.330847358e+00 2.46 -2.604207298e+00 -2.604207298e+00 2.48 -2.854525281e+00 -2.854525281e+00 2.50 -3.083344540e+00 -3.083344540e+00 2.52 -3.292178847e+00 -3.292178847e+00 2.54 -3.482493417e+00 -3.482493417e+00 2.56 -3.655684822e+00 -3.655684822e+00 2.58 -3.813065382e+00 -3.813065382e+00 2.60 -3.955853953e+00 -3.955853953e+00 2.62 -4.085169453e+00 -4.085169453e+00 2.64 -4.202035283e+00 -4.202035283e+00 2.66 -4.307364938e+00 -4.307364938e+00 2.68 -4.401974252e+00 -4.401974252e+00 2.70 -4.486634532e+00 -4.486634532e+00 2.72 -4.561953873e+00 -4.561953873e+00 2.74 -4.628446412e+00 -4.628446412e+00 2.76 -4.686584947e+00 -4.686584947e+00 2.78 -4.736809220e+00 -4.736809220e+00 2.80 -4.779538538e+00 -4.779538538e+00 2.82 -4.815166656e+00 -4.815166656e+00 2.84 -4.844072130e+00 -4.844072130e+00 2.86 -4.866629979e+00 -4.866629979e+00 2.88 -4.883185871e+00 -4.883185871e+00 2.90 -4.893902511e+00 -4.893902511e+00 2.92 -4.898954136e+00 -4.898954136e+00 2.94 -4.898549847e+00 -4.898549847e+00 2.96 -4.892931566e+00 -4.892931566e+00 2.98 -4.882373789e+00 -4.882373789e+00 3.00 -4.867183824e+00 -4.867183824e+00 3.02 -4.847708902e+00 -4.847708902e+00 3.04 -4.824893264e+00 -4.824893264e+00 3.06 -4.799204682e+00 -4.799204682e+00 3.08 -4.770594857e+00 -4.770594857e+00 3.10 -4.739050626e+00 -4.739050626e+00 3.12 -4.704599303e+00 -4.704599303e+00 3.14 -4.667301382e+00 -4.667301382e+00 3.16 -4.627228782e+00 -4.627228782e+00 3.18 -4.584468279e+00 -4.584468279e+00 3.20 -4.539120843e+00 -4.539120843e+00 3.22 -4.491308688e+00 -4.491308688e+00 3.24 -4.441163703e+00 -4.441163703e+00 3.26 -4.388826661e+00 -4.388826661e+00 3.28 -4.334448252e+00 -4.334448252e+00 3.30 -4.278188384e+00 -4.278188384e+00 3.32 -4.220213343e+00 -4.220213343e+00 3.34 -4.160691085e+00 -4.160691085e+00 3.36 -4.099785659e+00 -4.099785659e+00 3.38 -4.037652250e+00 -4.037652250e+00 3.40 -3.974433348e+00 -3.974433348e+00 3.42 -3.910262069e+00 -3.910262069e+00 3.44 -3.845258824e+00 -3.845258824e+00 3.46 -3.779539443e+00 -3.779539443e+00 3.48 -3.713218745e+00 -3.713218745e+00 3.50 -3.646414535e+00 -3.646414535e+00 3.52 -3.579249984e+00 -3.579249984e+00 3.54 -3.511853807e+00 -3.511853807e+00 3.56 -3.444358108e+00 -3.444358108e+00 3.58 -3.376894295e+00 -3.376894295e+00 3.60 -3.309587889e+00 -3.309587889e+00 3.62 -3.242553355e+00 -3.242553355e+00 3.64 -3.175890039e+00 -3.175890039e+00 3.66 -3.109679959e+00 -3.109679959e+00 3.68 -3.043987701e+00 -3.043987701e+00 3.70 -2.978862176e+00 -2.978862176e+00 3.72 -2.914339707e+00 -2.914339707e+00 3.74 -2.850447802e+00 -2.850447802e+00 3.76 -2.787209044e+00 -2.787209044e+00 3.78 -2.724644649e+00 -2.724644649e+00 3.80 -2.662777370e+00 -2.662777370e+00 3.82 -2.601633477e+00 -2.601633477e+00 3.84 -2.541243644e+00 -2.541243644e+00 3.86 -2.481642625e+00 -2.481642625e+00 3.88 -2.422867764e+00 -2.422867764e+00 3.90 -2.364956581e+00 -2.364956581e+00 3.92 -2.307942535e+00 -2.307942535e+00 3.94 -2.251857597e+00 -2.251857597e+00 3.96 -2.196721304e+00 -2.196721304e+00 3.98 -2.142545464e+00 -2.142545464e+00 4.00 -2.089332282e+00 -2.089332282e+00 4.02 -2.037075104e+00 -2.037075104e+00 4.04 -1.985759915e+00 -1.985759915e+00 4.06 -1.935367268e+00 -1.935367268e+00 4.08 -1.885874343e+00 -1.885874343e+00 4.10 -1.837252650e+00 -1.837252650e+00 4.12 -1.789487818e+00 -1.789487818e+00 4.14 -1.742552819e+00 -1.742552819e+00 4.16 -1.696429304e+00 -1.696429304e+00 4.18 -1.651103440e+00 -1.651103440e+00 4.20 -1.606566841e+00 -1.606566841e+00 4.22 -1.562817209e+00 -1.562817209e+00 4.24 -1.519858643e+00 -1.519858643e+00 4.26 -1.477701511e+00 -1.477701511e+00 4.28 -1.436361840e+00 -1.436361840e+00 4.30 -1.395860169e+00 -1.395860169e+00 4.32 -1.356219935e+00 -1.356219935e+00 4.34 -1.317465479e+00 -1.317465479e+00 4.36 -1.279619868e+00 -1.279619868e+00 4.38 -1.242702753e+00 -1.242702753e+00 4.40 -1.206728487e+00 -1.206728487e+00 4.42 -1.171704695e+00 -1.171704695e+00 4.44 -1.137631408e+00 -1.137631408e+00 4.46 -1.104500787e+00 -1.104500787e+00 4.48 -1.072297390e+00 -1.072297390e+00 4.50 -1.040998874e+00 -1.040998874e+00 4.52 -1.010576973e+00 -1.010576973e+00 4.54 -9.809986297e-01 -9.809986297e-01 4.56 -9.522271475e-01 -9.522271475e-01 4.58 -9.242232764e-01 -9.242232764e-01 4.60 -8.969461813e-01 -8.969461813e-01 4.62 -8.703542731e-01 -8.703542731e-01 4.64 -8.444059106e-01 -8.444059106e-01 4.66 -8.190599965e-01 -8.190599965e-01 4.68 -7.942765015e-01 -7.942765015e-01 4.70 -7.700169528e-01 -7.700169528e-01 4.72 -7.462449228e-01 -7.462449228e-01 4.74 -7.229265434e-01 -7.229265434e-01 4.76 -7.000310667e-01 -7.000310667e-01 4.78 -6.775314787e-01 -6.775314787e-01 4.80 -6.554020185e-01 -6.554020185e-01 4.82 -6.336319414e-01 -6.336319414e-01 4.84 -6.122056655e-01 -6.122056655e-01 4.86 -5.911177007e-01 -5.911177007e-01 4.88 -5.703693055e-01 -5.703693055e-01 4.90 -5.499686996e-01 -5.499686996e-01 4.92 -5.299309722e-01 -5.299309722e-01 4.94 -5.102776212e-01 -5.102776212e-01 4.96 -4.910356845e-01 -4.910356845e-01 4.98 -4.722364597e-01 -4.722364597e-01 5.00 -4.539138595e-01 -4.539138595e-01 5.02 -4.361024980e-01 -4.361024980e-01 5.04 -4.188356449e-01 -4.188356449e-01 5.06 -4.021432171e-01 -4.021432171e-01 5.08 -3.860499787e-01 -3.860499787e-01 5.10 -3.705741031e-01 -3.705741031e-01 5.12 -3.557262105e-01 -3.557262105e-01 5.14 -3.415089341e-01 -3.415089341e-01 5.16 -3.279170094e-01 -3.279170094e-01 5.18 -3.149378274e-01 -3.149378274e-01 5.20 -3.025523499e-01 -3.025523499e-01 5.22 -2.907362702e-01 -2.907362702e-01 5.24 -2.794612950e-01 -2.794612950e-01 5.26 -2.686964431e-01 -2.686964431e-01 5.28 -2.584092730e-01 -2.584092730e-01 5.30 -2.485669814e-01 -2.485669814e-01 5.32 -2.391373348e-01 -2.391373348e-01 5.34 -2.300894192e-01 -2.300894192e-01 5.36 -2.213942048e-01 -2.213942048e-01 5.38 -2.130249326e-01 -2.130249326e-01 5.40 -2.049573369e-01 -2.049573369e-01 5.42 -1.971697192e-01 -1.971697192e-01 5.44 -1.896428943e-01 -1.896428943e-01 5.46 -1.823600306e-01 -1.823600306e-01 5.48 -1.753064126e-01 -1.753064126e-01 5.50 -1.684691555e-01 -1.684691555e-01 5.52 -1.618369049e-01 -1.618369049e-01 5.54 -1.553995554e-01 -1.553995554e-01 5.56 -1.491480166e-01 -1.491480166e-01 5.58 -1.430740507e-01 -1.430740507e-01 5.60 -1.371701927e-01 -1.371701927e-01 5.62 -1.314297553e-01 -1.314297553e-01 5.64 -1.258469034e-01 -1.258469034e-01 5.66 -1.204167776e-01 -1.204167776e-01 5.68 -1.151356342e-01 -1.151356342e-01 5.70 -1.100009676e-01 -1.100009676e-01 5.72 -1.050115806e-01 -1.050115806e-01 5.74 -1.001675788e-01 -1.001675788e-01 5.76 -9.547026341e-02 -9.547026341e-02 5.78 -9.092192117e-02 -9.092192117e-02 5.80 -8.652551856e-02 -8.652551856e-02 5.82 -8.228432043e-02 -8.228432043e-02 5.84 -7.820146148e-02 -7.820146148e-02 5.86 -7.427952019e-02 -7.427952019e-02 5.88 -7.052012296e-02 -7.052012296e-02 5.90 -6.692361796e-02 -6.692361796e-02 5.92 -6.348879369e-02 -6.348879369e-02 5.94 -6.021265845e-02 -6.021265845e-02 5.96 -5.709078965e-02 -5.709078965e-02 5.98 -5.411747923e-02 -5.411747923e-02 6.00 -5.128564823e-02 -5.128564823e-02