# 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 = FePdTi2 # 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 2.715261571e+02 2.715261571e+02 1.30 2.507035941e+02 2.507035941e+02 1.32 2.314840668e+02 2.314840668e+02 1.34 2.137368401e+02 2.137368401e+02 1.36 1.973398999e+02 1.973398999e+02 1.38 1.821801174e+02 1.821801174e+02 1.40 1.681541129e+02 1.681541129e+02 1.42 1.551688494e+02 1.551688494e+02 1.44 1.431415854e+02 1.431415854e+02 1.46 1.319989948e+02 1.319989948e+02 1.48 1.216755249e+02 1.216755249e+02 1.50 1.121115143e+02 1.121115143e+02 1.52 1.032516179e+02 1.032516179e+02 1.54 9.504382984e+01 9.504382984e+01 1.56 8.743909382e+01 8.743909382e+01 1.58 8.039127328e+01 8.039127328e+01 1.60 7.385730615e+01 7.385730615e+01 1.62 6.779747771e+01 6.779747771e+01 1.64 6.217563214e+01 6.217563214e+01 1.66 5.695906433e+01 5.695906433e+01 1.68 5.211807191e+01 5.211807191e+01 1.70 4.762540815e+01 4.762540815e+01 1.72 4.345584406e+01 4.345584406e+01 1.74 3.958587329e+01 3.958587329e+01 1.76 3.599370707e+01 3.599370707e+01 1.78 3.266338238e+01 3.266338238e+01 1.80 2.958744269e+01 2.958744269e+01 1.82 2.674706560e+01 2.674706560e+01 1.84 2.412419419e+01 2.412419419e+01 1.86 2.170228672e+01 2.170228672e+01 1.88 1.946616946e+01 1.946616946e+01 1.90 1.740191823e+01 1.740191823e+01 1.92 1.549675590e+01 1.549675590e+01 1.94 1.373894398e+01 1.373894398e+01 1.96 1.211766538e+01 1.211766538e+01 1.98 1.062290784e+01 1.062290784e+01 2.00 9.245358305e+00 9.245358305e+00 2.02 7.976315838e+00 7.976315838e+00 2.04 6.807634740e+00 6.807634740e+00 2.06 5.731708940e+00 5.731708940e+00 2.08 4.741493536e+00 4.741493536e+00 2.10 3.830536852e+00 3.830536852e+00 2.12 2.992986434e+00 2.992986434e+00 2.14 2.223549994e+00 2.223549994e+00 2.16 1.517419967e+00 1.517419967e+00 2.18 8.701846199e-01 8.701846199e-01 2.20 2.777459764e-01 2.777459764e-01 2.22 -2.637456160e-01 -2.637456160e-01 2.24 -7.579346683e-01 -7.579346683e-01 2.26 -1.208279524e+00 -1.208279524e+00 2.28 -1.618050252e+00 -1.618050252e+00 2.30 -1.990314018e+00 -1.990314018e+00 2.32 -2.327921600e+00 -2.327921600e+00 2.34 -2.633501062e+00 -2.633501062e+00 2.36 -2.909462613e+00 -2.909462613e+00 2.38 -3.158013040e+00 -3.158013040e+00 2.40 -3.381178481e+00 -3.381178481e+00 2.42 -3.580832148e+00 -3.580832148e+00 2.44 -3.758721984e+00 -3.758721984e+00 2.46 -3.916494389e+00 -3.916494389e+00 2.48 -4.055710106e+00 -4.055710106e+00 2.50 -4.177850043e+00 -4.177850043e+00 2.52 -4.284310723e+00 -4.284310723e+00 2.54 -4.376392486e+00 -4.376392486e+00 2.56 -4.455286552e+00 -4.455286552e+00 2.58 -4.522119020e+00 -4.522119020e+00 2.60 -4.577910909e+00 -4.577910909e+00 2.62 -4.623386884e+00 -4.623386884e+00 2.64 -4.659207957e+00 -4.659207957e+00 2.66 -4.685988299e+00 -4.685988299e+00 2.68 -4.704301360e+00 -4.704301360e+00 2.70 -4.714684369e+00 -4.714684369e+00 2.72 -4.717641666e+00 -4.717641666e+00 2.74 -4.713570787e+00 -4.713570787e+00 2.76 -4.702930083e+00 -4.702930083e+00 2.78 -4.686034637e+00 -4.686034637e+00 2.80 -4.662924786e+00 -4.662924786e+00 2.82 -4.633711230e+00 -4.633711230e+00 2.84 -4.598574707e+00 -4.598574707e+00 2.86 -4.557755571e+00 -4.557755571e+00 2.88 -4.511556398e+00 -4.511556398e+00 2.90 -4.460342870e+00 -4.460342870e+00 2.92 -4.404574718e+00 -4.404574718e+00 2.94 -4.344763242e+00 -4.344763242e+00 2.96 -4.281422408e+00 -4.281422408e+00 2.98 -4.215055920e+00 -4.215055920e+00 3.00 -4.146140317e+00 -4.146140317e+00 3.02 -4.075048236e+00 -4.075048236e+00 3.04 -4.002085171e+00 -4.002085171e+00 3.06 -3.927538863e+00 -3.927538863e+00 3.08 -3.851671565e+00 -3.851671565e+00 3.10 -3.774714433e+00 -3.774714433e+00 3.12 -3.696865751e+00 -3.696865751e+00 3.14 -3.618294928e+00 -3.618294928e+00 3.16 -3.539150252e+00 -3.539150252e+00 3.18 -3.459569729e+00 -3.459569729e+00 3.20 -3.379691216e+00 -3.379691216e+00 3.22 -3.299660303e+00 -3.299660303e+00 3.24 -3.219634693e+00 -3.219634693e+00 3.26 -3.139784817e+00 -3.139784817e+00 3.28 -3.060291069e+00 -3.060291069e+00 3.30 -2.981338448e+00 -2.981338448e+00 3.32 -2.903109689e+00 -2.903109689e+00 3.34 -2.825777992e+00 -2.825777992e+00 3.36 -2.749500475e+00 -2.749500475e+00 3.38 -2.674413283e+00 -2.674413283e+00 3.40 -2.600628954e+00 -2.600628954e+00 3.42 -2.528236496e+00 -2.528236496e+00 3.44 -2.457303572e+00 -2.457303572e+00 3.46 -2.387880881e+00 -2.387880881e+00 3.48 -2.320007377e+00 -2.320007377e+00 3.50 -2.253715429e+00 -2.253715429e+00 3.52 -2.189034758e+00 -2.189034758e+00 3.54 -2.125994249e+00 -2.125994249e+00 3.56 -2.064621182e+00 -2.064621182e+00 3.58 -2.004938162e+00 -2.004938162e+00 3.60 -1.946958677e+00 -1.946958677e+00 3.62 -1.890682640e+00 -1.890682640e+00 3.64 -1.836093233e+00 -1.836093233e+00 3.66 -1.783155916e+00 -1.783155916e+00 3.68 -1.731819740e+00 -1.731819740e+00 3.70 -1.682020518e+00 -1.682020518e+00 3.72 -1.633685031e+00 -1.633685031e+00 3.74 -1.586735442e+00 -1.586735442e+00 3.76 -1.541093267e+00 -1.541093267e+00 3.78 -1.496682558e+00 -1.496682558e+00 3.80 -1.453432158e+00 -1.453432158e+00 3.82 -1.411277118e+00 -1.411277118e+00 3.84 -1.370159388e+00 -1.370159388e+00 3.86 -1.330027984e+00 -1.330027984e+00 3.88 -1.290838783e+00 -1.290838783e+00 3.90 -1.252554105e+00 -1.252554105e+00 3.92 -1.215142144e+00 -1.215142144e+00 3.94 -1.178576658e+00 -1.178576658e+00 3.96 -1.142836177e+00 -1.142836177e+00 3.98 -1.107903873e+00 -1.107903873e+00 4.00 -1.073767222e+00 -1.073767222e+00 4.02 -1.040417796e+00 -1.040417796e+00 4.04 -1.007851044e+00 -1.007851044e+00 4.06 -9.760660113e-01 -9.760660113e-01 4.08 -9.450648949e-01 -9.450648949e-01 4.10 -9.148522534e-01 -9.148522534e-01 4.12 -8.854346356e-01 -8.854346356e-01 4.14 -8.568186126e-01 -8.568186126e-01 4.16 -8.290100946e-01 -8.290100946e-01 4.18 -8.020128764e-01 -8.020128764e-01 4.20 -7.758274573e-01 -7.758274573e-01 4.22 -7.504501149e-01 -7.504501149e-01 4.24 -7.258723297e-01 -7.258723297e-01 4.26 -7.020806046e-01 -7.020806046e-01 4.28 -6.790566626e-01 -6.790566626e-01 4.30 -6.567779568e-01 -6.567779568e-01 4.32 -6.352183972e-01 -6.352183972e-01 4.34 -6.143491893e-01 -6.143491893e-01 4.36 -5.941396913e-01 -5.941396913e-01 4.38 -5.745582178e-01 -5.745582178e-01 4.40 -5.555727450e-01 -5.555727450e-01 4.42 -5.371514973e-01 -5.371514973e-01 4.44 -5.192634185e-01 -5.192634185e-01 4.46 -5.018785409e-01 -5.018785409e-01 4.48 -4.849682771e-01 -4.849682771e-01 4.50 -4.685056606e-01 -4.685056606e-01 4.52 -4.524655586e-01 -4.524655586e-01 4.54 -4.368248767e-01 -4.368248767e-01 4.56 -4.215627679e-01 -4.215627679e-01 4.58 -4.066608482e-01 -4.066608482e-01 4.60 -3.921034129e-01 -3.921034129e-01 4.62 -3.778776367e-01 -3.778776367e-01 4.64 -3.639737345e-01 -3.639737345e-01 4.66 -3.503850509e-01 -3.503850509e-01 4.68 -3.371080467e-01 -3.371080467e-01 4.70 -3.241421534e-01 -3.241421534e-01 4.72 -3.114894773e-01 -3.114894773e-01 4.74 -2.991543499e-01 -2.991543499e-01 4.76 -2.871427432e-01 -2.871427432e-01 4.78 -2.754615917e-01 -2.754615917e-01 4.80 -2.641179968e-01 -2.641179968e-01 4.82 -2.531188963e-01 -2.531188963e-01 4.84 -2.424699573e-01 -2.424699573e-01 4.86 -2.321755549e-01 -2.321755549e-01 4.88 -2.222384745e-01 -2.222384745e-01 4.90 -2.126599154e-01 -2.126599154e-01 4.92 -2.034396656e-01 -2.034396656e-01 4.94 -1.945763857e-01 -1.945763857e-01 4.96 -1.860679268e-01 -1.860679268e-01 4.98 -1.779116034e-01 -1.779116034e-01 5.00 -1.701043565e-01 -1.701043565e-01 5.02 -1.626427702e-01 -1.626427702e-01 5.04 -1.555229328e-01 -1.555229328e-01 5.06 -1.487401770e-01 -1.487401770e-01 5.08 -1.422887533e-01 -1.422887533e-01 5.10 -1.361615022e-01 -1.361615022e-01 5.12 -1.303495755e-01 -1.303495755e-01 5.14 -1.248418999e-01 -1.248418999e-01 5.16 -1.196261413e-01 -1.196261413e-01 5.18 -1.146884498e-01 -1.146884498e-01 5.20 -1.100134386e-01 -1.100134386e-01 5.22 -1.055845696e-01 -1.055845696e-01 5.24 -1.013845701e-01 -1.013845701e-01 5.26 -9.739583856e-02 -9.739583856e-02 5.28 -9.360081086e-02 -9.360081086e-02 5.30 -8.998226647e-02 -8.998226647e-02 5.32 -8.652356569e-02 -8.652356569e-02 5.34 -8.320881909e-02 -8.320881909e-02 5.36 -8.002299576e-02 -8.002299576e-02 5.38 -7.695198178e-02 -7.695198178e-02 5.40 -7.398260157e-02 -7.398260157e-02 5.42 -7.110261509e-02 -7.110261509e-02 5.44 -6.830070310e-02 -6.830070310e-02 5.46 -6.556645085e-02 -6.556645085e-02 5.48 -6.289033902e-02 -6.289033902e-02 5.50 -6.026374874e-02 -6.026374874e-02 5.52 -5.767898530e-02 -5.767898530e-02 5.54 -5.512932351e-02 -5.512932351e-02 5.56 -5.260907482e-02 -5.260907482e-02 5.58 -5.011367439e-02 -5.011367439e-02 5.60 -4.763978308e-02 -4.763978308e-02 5.62 -4.518539661e-02 -4.518539661e-02 5.64 -4.274995111e-02 -4.274995111e-02 5.66 -4.033441172e-02 -4.033441172e-02 5.68 -3.794132629e-02 -3.794132629e-02 5.70 -3.557483158e-02 -3.557483158e-02 5.72 -3.324059421e-02 -3.324059421e-02 5.74 -3.094567421e-02 -3.094567421e-02 5.76 -2.869830515e-02 -2.869830515e-02 5.78 -2.650759249e-02 -2.650759249e-02 5.80 -2.438314270e-02 -2.438314270e-02 5.82 -2.233463916e-02 -2.233463916e-02 5.84 -2.037139663e-02 -2.037139663e-02 5.86 -1.850192734e-02 -1.850192734e-02 5.88 -1.673355190e-02 -1.673355190e-02 5.90 -1.507208484e-02 -1.507208484e-02 5.92 -1.352150872e-02 -1.352150872e-02 5.94 -1.208382627e-02 -1.208382627e-02 5.96 -1.075964041e-02 -1.075964041e-02 5.98 -9.547784170e-03 -9.547784170e-03 6.00 -8.445470950e-03 -8.445470950e-03