# 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 = Al2NiTa # 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 1.430319585e+02 1.430319585e+02 1.30 1.326110247e+02 1.326110247e+02 1.32 1.229535655e+02 1.229535655e+02 1.34 1.139983880e+02 1.139983880e+02 1.36 1.056898304e+02 1.056898304e+02 1.38 9.797849317e+01 9.797849317e+01 1.40 9.082036104e+01 9.082036104e+01 1.42 8.417490767e+01 8.417490767e+01 1.44 7.800319913e+01 7.800319913e+01 1.46 7.226692354e+01 7.226692354e+01 1.48 6.692892185e+01 6.692892185e+01 1.50 6.195481917e+01 6.195481917e+01 1.52 5.731444594e+01 5.731444594e+01 1.54 5.298202879e+01 5.298202879e+01 1.56 4.893529847e+01 4.893529847e+01 1.58 4.515435276e+01 4.515435276e+01 1.60 4.162088959e+01 4.162088959e+01 1.62 3.831788249e+01 3.831788249e+01 1.64 3.522946231e+01 3.522946231e+01 1.66 3.234083084e+01 3.234083084e+01 1.68 2.964112115e+01 2.964112115e+01 1.70 2.712045646e+01 2.712045646e+01 1.72 2.476681097e+01 2.476681097e+01 1.74 2.256929414e+01 2.256929414e+01 1.76 2.051795304e+01 2.051795304e+01 1.78 1.860363180e+01 1.860363180e+01 1.80 1.682031351e+01 1.682031351e+01 1.82 1.516091646e+01 1.516091646e+01 1.84 1.361762221e+01 1.361762221e+01 1.86 1.218313233e+01 1.218313233e+01 1.88 1.085059019e+01 1.085059019e+01 1.90 9.613481054e+00 9.613481054e+00 1.92 8.465546527e+00 8.465546527e+00 1.94 7.400737685e+00 7.400737685e+00 1.96 6.413214907e+00 6.413214907e+00 1.98 5.497389643e+00 5.497389643e+00 2.00 4.647993453e+00 4.647993453e+00 2.02 3.860151952e+00 3.860151952e+00 2.04 3.129436130e+00 3.129436130e+00 2.06 2.451869634e+00 2.451869634e+00 2.08 1.823891435e+00 1.823891435e+00 2.10 1.242293505e+00 1.242293505e+00 2.12 7.041565336e-01 7.041565336e-01 2.14 2.067965397e-01 2.067965397e-01 2.16 -2.522750505e-01 -2.522750505e-01 2.18 -6.753804164e-01 -6.753804164e-01 2.20 -1.064697667e+00 -1.064697667e+00 2.22 -1.422281248e+00 -1.422281248e+00 2.24 -1.750083714e+00 -1.750083714e+00 2.26 -2.049978993e+00 -2.049978993e+00 2.28 -2.323784182e+00 -2.323784182e+00 2.30 -2.573275352e+00 -2.573275352e+00 2.32 -2.800192670e+00 -2.800192670e+00 2.34 -3.006230305e+00 -3.006230305e+00 2.36 -3.192918056e+00 -3.192918056e+00 2.38 -3.361768625e+00 -3.361768625e+00 2.40 -3.514318354e+00 -3.514318354e+00 2.42 -3.651893357e+00 -3.651893357e+00 2.44 -3.775612063e+00 -3.775612063e+00 2.46 -3.886415125e+00 -3.886415125e+00 2.48 -3.985112176e+00 -3.985112176e+00 2.50 -4.072313401e+00 -4.072313401e+00 2.52 -4.148420292e+00 -4.148420292e+00 2.54 -4.213924912e+00 -4.213924912e+00 2.56 -4.269446758e+00 -4.269446758e+00 2.58 -4.315730762e+00 -4.315730762e+00 2.60 -4.353630585e+00 -4.353630585e+00 2.62 -4.384069732e+00 -4.384069732e+00 2.64 -4.407982323e+00 -4.407982323e+00 2.66 -4.426241920e+00 -4.426241920e+00 2.68 -4.439604921e+00 -4.439604921e+00 2.70 -4.448677443e+00 -4.448677443e+00 2.72 -4.453910876e+00 -4.453910876e+00 2.74 -4.455621061e+00 -4.455621061e+00 2.76 -4.454019042e+00 -4.454019042e+00 2.78 -4.449242295e+00 -4.449242295e+00 2.80 -4.441366007e+00 -4.441366007e+00 2.82 -4.430358808e+00 -4.430358808e+00 2.84 -4.416168898e+00 -4.416168898e+00 2.86 -4.398970043e+00 -4.398970043e+00 2.88 -4.379793079e+00 -4.379793079e+00 2.90 -4.358418790e+00 -4.358418790e+00 2.92 -4.334489630e+00 -4.334489630e+00 2.94 -4.307725598e+00 -4.307725598e+00 2.96 -4.277918819e+00 -4.277918819e+00 2.98 -4.244930506e+00 -4.244930506e+00 3.00 -4.208689581e+00 -4.208689581e+00 3.02 -4.169191579e+00 -4.169191579e+00 3.04 -4.126499541e+00 -4.126499541e+00 3.06 -4.080756548e+00 -4.080756548e+00 3.08 -4.032158449e+00 -4.032158449e+00 3.10 -3.980927700e+00 -3.980927700e+00 3.12 -3.927298114e+00 -3.927298114e+00 3.14 -3.871501103e+00 -3.871501103e+00 3.16 -3.813755919e+00 -3.813755919e+00 3.18 -3.754265511e+00 -3.754265511e+00 3.20 -3.693217503e+00 -3.693217503e+00 3.22 -3.630788878e+00 -3.630788878e+00 3.24 -3.567152207e+00 -3.567152207e+00 3.26 -3.502481368e+00 -3.502481368e+00 3.28 -3.436955208e+00 -3.436955208e+00 3.30 -3.370758265e+00 -3.370758265e+00 3.32 -3.304078424e+00 -3.304078424e+00 3.34 -3.237101941e+00 -3.237101941e+00 3.36 -3.170006746e+00 -3.170006746e+00 3.38 -3.102955143e+00 -3.102955143e+00 3.40 -3.036087054e+00 -3.036087054e+00 3.42 -2.969514760e+00 -2.969514760e+00 3.44 -2.903319728e+00 -2.903319728e+00 3.46 -2.837551797e+00 -2.837551797e+00 3.48 -2.772230577e+00 -2.772230577e+00 3.50 -2.707348695e+00 -2.707348695e+00 3.52 -2.642876412e+00 -2.642876412e+00 3.54 -2.578767090e+00 -2.578767090e+00 3.56 -2.514963075e+00 -2.514963075e+00 3.58 -2.451401667e+00 -2.451401667e+00 3.60 -2.388020941e+00 -2.388020941e+00 3.62 -2.324765290e+00 -2.324765290e+00 3.64 -2.261590626e+00 -2.261590626e+00 3.66 -2.198469150e+00 -2.198469150e+00 3.68 -2.135393655e+00 -2.135393655e+00 3.70 -2.072381204e+00 -2.072381204e+00 3.72 -2.009476028e+00 -2.009476028e+00 3.74 -1.946751364e+00 -1.946751364e+00 3.76 -1.884309973e+00 -1.884309973e+00 3.78 -1.822283023e+00 -1.822283023e+00 3.80 -1.760827113e+00 -1.760827113e+00 3.82 -1.700119332e+00 -1.700119332e+00 3.84 -1.640350430e+00 -1.640350430e+00 3.86 -1.581716424e+00 -1.581716424e+00 3.88 -1.524409191e+00 -1.524409191e+00 3.90 -1.468606819e+00 -1.468606819e+00 3.92 -1.414464577e+00 -1.414464577e+00 3.94 -1.362107403e+00 -1.362107403e+00 3.96 -1.311624492e+00 -1.311624492e+00 3.98 -1.263066551e+00 -1.263066551e+00 4.00 -1.216445673e+00 -1.216445673e+00 4.02 -1.171737658e+00 -1.171737658e+00 4.04 -1.128886294e+00 -1.128886294e+00 4.06 -1.087809013e+00 -1.087809013e+00 4.08 -1.048403323e+00 -1.048403323e+00 4.10 -1.010553483e+00 -1.010553483e+00 4.12 -9.741371149e-01 -9.741371149e-01 4.14 -9.390311791e-01 -9.390311791e-01 4.16 -9.051175343e-01 -9.051175343e-01 4.18 -8.722876346e-01 -8.722876346e-01 4.20 -8.404463906e-01 -8.404463906e-01 4.22 -8.095150758e-01 -8.095150758e-01 4.24 -7.794331714e-01 -7.794331714e-01 4.26 -7.501590537e-01 -7.501590537e-01 4.28 -7.216694691e-01 -7.216694691e-01 4.30 -6.939578140e-01 -6.939578140e-01 4.32 -6.670313473e-01 -6.670313473e-01 4.34 -6.409075804e-01 -6.409075804e-01 4.36 -6.156101910e-01 -6.156101910e-01 4.38 -5.911648560e-01 -5.911648560e-01 4.40 -5.675953887e-01 -5.675953887e-01 4.42 -5.449204800e-01 -5.449204800e-01 4.44 -5.231512253e-01 -5.231512253e-01 4.46 -5.022894793e-01 -5.022894793e-01 4.48 -4.823269760e-01 -4.823269760e-01 4.50 -4.632450852e-01 -4.632450852e-01 4.52 -4.450150621e-01 -4.450150621e-01 4.54 -4.275986670e-01 -4.275986670e-01 4.56 -4.109490686e-01 -4.109490686e-01 4.58 -3.950119729e-01 -3.950119729e-01 4.60 -3.797269510e-01 -3.797269510e-01 4.62 -3.650289215e-01 -3.650289215e-01 4.64 -3.508497311e-01 -3.508497311e-01 4.66 -3.371197977e-01 -3.371197977e-01 4.68 -3.237698084e-01 -3.237698084e-01 4.70 -3.107323958e-01 -3.107323958e-01 4.72 -2.979436743e-01 -2.979436743e-01 4.74 -2.853443553e-01 -2.853443553e-01 4.76 -2.728826611e-01 -2.728826611e-01 4.78 -2.605147217e-01 -2.605147217e-01 4.80 -2.482056743e-01 -2.482056743e-01 4.82 -2.359309611e-01 -2.359309611e-01 4.84 -2.236772769e-01 -2.236772769e-01 4.86 -2.114433477e-01 -2.114433477e-01 4.88 -1.992402711e-01 -1.992402711e-01 4.90 -1.870914024e-01 -1.870914024e-01 4.92 -1.750316900e-01 -1.750316900e-01 4.94 -1.631064079e-01 -1.631064079e-01 4.96 -1.513692777e-01 -1.513692777e-01 4.98 -1.398800393e-01 -1.398800393e-01 5.00 -1.287015981e-01 -1.287015981e-01 5.02 -1.178969337e-01 -1.178969337e-01 5.04 -1.075260032e-01 -1.075260032e-01 5.06 -9.764287805e-02 -9.764287805e-02 5.08 -8.829333630e-02 -8.829333630e-02 5.10 -7.951307906e-02 -7.951307906e-02 5.12 -7.132666759e-02 -7.132666759e-02 5.14 -6.374719701e-02 -6.374719701e-02 5.16 -5.677664859e-02 -5.677664859e-02 5.18 -5.040680466e-02 -5.040680466e-02 5.20 -4.462057635e-02 -4.462057635e-02 5.22 -3.939358165e-02 -3.939358165e-02 5.24 -3.469581747e-02 -3.469581747e-02 5.26 -3.049331436e-02 -3.049331436e-02 5.28 -2.674966135e-02 -2.674966135e-02 5.30 -2.342734413e-02 -2.342734413e-02 5.32 -2.048885052e-02 -2.048885052e-02 5.34 -1.789755428e-02 -1.789755428e-02 5.36 -1.561837615e-02 -1.561837615e-02 5.38 -1.361789927e-02 -1.361789927e-02 5.40 -1.186544482e-02 -1.186544482e-02 5.42 -1.033300672e-02 -1.033300672e-02 5.44 -8.994961916e-03 -8.994961916e-03 5.46 -7.828090078e-03 -7.828090078e-03 5.48 -6.811513503e-03 -6.811513503e-03 5.50 -5.926583335e-03 -5.926583335e-03 5.52 -5.156732411e-03 -5.156732411e-03 5.54 -4.487309995e-03 -4.487309995e-03 5.56 -3.905409557e-03 -3.905409557e-03 5.58 -3.399697440e-03 -3.399697440e-03 5.60 -2.960247745e-03 -2.960247745e-03 5.62 -2.578386793e-03 -2.578386793e-03 5.64 -2.246549115e-03 -2.246549115e-03 5.66 -1.958145864e-03 -1.958145864e-03 5.68 -1.707445847e-03 -1.707445847e-03 5.70 -1.489468858e-03 -1.489468858e-03 5.72 -1.299890689e-03 -1.299890689e-03 5.74 -1.134959014e-03 -1.134959014e-03 5.76 -9.914192447e-04 -9.914192447e-04 5.78 -8.664494127e-04 -8.664494127e-04 5.80 -7.576031673e-04 -7.576031673e-04 5.82 -6.627600018e-04 -6.627600018e-04 5.84 -5.800818841e-04 -5.800818841e-04 5.86 -5.079755354e-04 -5.079755354e-04 5.88 -4.450596670e-04 -4.450596670e-04 5.90 -3.901365579e-04 -3.901365579e-04 5.92 -3.421674196e-04 -3.421674196e-04 5.94 -3.002510601e-04 -3.002510601e-04 5.96 -2.636054154e-04 -2.636054154e-04 5.98 -2.315515696e-04 -2.315515696e-04 6.00 -2.034999328e-04 -2.034999328e-04