# 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 = AlMg2Ti # 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 2.709211831e+02 2.709211831e+02 1.30 2.514268090e+02 2.514268090e+02 1.32 2.333789459e+02 2.333789459e+02 1.34 2.166598845e+02 2.166598845e+02 1.36 2.011630602e+02 2.011630602e+02 1.38 1.867933690e+02 1.867933690e+02 1.40 1.734652544e+02 1.734652544e+02 1.42 1.610998685e+02 1.610998685e+02 1.44 1.496230497e+02 1.496230497e+02 1.46 1.389648317e+02 1.389648317e+02 1.48 1.290601952e+02 1.290601952e+02 1.50 1.198502069e+02 1.198502069e+02 1.52 1.112824834e+02 1.112824834e+02 1.54 1.033105052e+02 1.033105052e+02 1.56 9.589235096e+01 9.589235096e+01 1.58 8.898958410e+01 8.898958410e+01 1.60 8.256649202e+01 8.256649202e+01 1.62 7.658955136e+01 7.658955136e+01 1.64 7.102718548e+01 7.102718548e+01 1.66 6.584940498e+01 6.584940498e+01 1.68 6.102767469e+01 6.102767469e+01 1.70 5.653684559e+01 5.653684559e+01 1.72 5.235288295e+01 5.235288295e+01 1.74 4.845370545e+01 4.845370545e+01 1.76 4.481948502e+01 4.481948502e+01 1.78 4.143229197e+01 4.143229197e+01 1.80 3.827571951e+01 3.827571951e+01 1.82 3.533461946e+01 3.533461946e+01 1.84 3.259493421e+01 3.259493421e+01 1.86 3.004357293e+01 3.004357293e+01 1.88 2.766826539e+01 2.766826539e+01 1.90 2.545739132e+01 2.545739132e+01 1.92 2.339981733e+01 2.339981733e+01 1.94 2.148480458e+01 2.148480458e+01 1.96 1.970203644e+01 1.970203644e+01 1.98 1.804175509e+01 1.804175509e+01 2.00 1.649492734e+01 1.649492734e+01 2.02 1.505335212e+01 1.505335212e+01 2.04 1.370967154e+01 1.370967154e+01 2.06 1.245729526e+01 1.245729526e+01 2.08 1.129027704e+01 1.129027704e+01 2.10 1.020318776e+01 1.020318776e+01 2.12 9.191008276e+00 9.191008276e+00 2.14 8.249050176e+00 8.249050176e+00 2.16 7.372902941e+00 7.372902941e+00 2.18 6.558399255e+00 6.558399255e+00 2.20 5.801595418e+00 5.801595418e+00 2.22 5.098756303e+00 5.098756303e+00 2.24 4.446346551e+00 4.446346551e+00 2.26 3.841027044e+00 3.841027044e+00 2.28 3.279655559e+00 3.279655559e+00 2.30 2.759297232e+00 2.759297232e+00 2.32 2.277230902e+00 2.277230902e+00 2.34 1.830959264e+00 1.830959264e+00 2.36 1.418205799e+00 1.418205799e+00 2.38 1.036900084e+00 1.036900084e+00 2.40 6.851481365e-01 6.851481365e-01 2.42 3.611927934e-01 3.611927934e-01 2.44 6.337514017e-02 6.337514017e-02 2.46 -2.098990170e-01 -2.098990170e-01 2.48 -4.602051581e-01 -4.602051581e-01 2.50 -6.890950596e-01 -6.890950596e-01 2.52 -8.980056920e-01 -8.980056920e-01 2.54 -1.088357033e+00 -1.088357033e+00 2.56 -1.261550510e+00 -1.261550510e+00 2.58 -1.418958857e+00 -1.418958857e+00 2.60 -1.561910600e+00 -1.561910600e+00 2.62 -1.691667652e+00 -1.691667652e+00 2.64 -1.809388818e+00 -1.809388818e+00 2.66 -1.916043422e+00 -1.916043422e+00 2.68 -2.012991667e+00 -2.012991667e+00 2.70 -2.101101495e+00 -2.101101495e+00 2.72 -2.180704472e+00 -2.180704472e+00 2.74 -2.252100053e+00 -2.252100053e+00 2.76 -2.315568308e+00 -2.315568308e+00 2.78 -2.371381621e+00 -2.371381621e+00 2.80 -2.419814260e+00 -2.419814260e+00 2.82 -2.461145275e+00 -2.461145275e+00 2.84 -2.495665622e+00 -2.495665622e+00 2.86 -2.523687411e+00 -2.523687411e+00 2.88 -2.545530285e+00 -2.545530285e+00 2.90 -2.561517962e+00 -2.561517962e+00 2.92 -2.571979196e+00 -2.571979196e+00 2.94 -2.577249559e+00 -2.577249559e+00 2.96 -2.577674288e+00 -2.577674288e+00 2.98 -2.573611895e+00 -2.573611895e+00 3.00 -2.565437416e+00 -2.565437416e+00 3.02 -2.553543408e+00 -2.553543408e+00 3.04 -2.538336416e+00 -2.538336416e+00 3.06 -2.520229669e+00 -2.520229669e+00 3.08 -2.499627999e+00 -2.499627999e+00 3.10 -2.476914092e+00 -2.476914092e+00 3.12 -2.452433867e+00 -2.452433867e+00 3.14 -2.426488512e+00 -2.426488512e+00 3.16 -2.399328036e+00 -2.399328036e+00 3.18 -2.371154933e+00 -2.371154933e+00 3.20 -2.342129661e+00 -2.342129661e+00 3.22 -2.312378935e+00 -2.312378935e+00 3.24 -2.282004476e+00 -2.282004476e+00 3.26 -2.251090849e+00 -2.251090849e+00 3.28 -2.219711517e+00 -2.219711517e+00 3.30 -2.187932805e+00 -2.187932805e+00 3.32 -2.155815915e+00 -2.155815915e+00 3.34 -2.123417504e+00 -2.123417504e+00 3.36 -2.090806903e+00 -2.090806903e+00 3.38 -2.058040469e+00 -2.058040469e+00 3.40 -2.025139258e+00 -2.025139258e+00 3.42 -1.992126126e+00 -1.992126126e+00 3.44 -1.959026645e+00 -1.959026645e+00 3.46 -1.925871222e+00 -1.925871222e+00 3.48 -1.892696599e+00 -1.892696599e+00 3.50 -1.859546853e+00 -1.859546853e+00 3.52 -1.826473414e+00 -1.826473414e+00 3.54 -1.793533809e+00 -1.793533809e+00 3.56 -1.760782470e+00 -1.760782470e+00 3.58 -1.728247925e+00 -1.728247925e+00 3.60 -1.695953857e+00 -1.695953857e+00 3.62 -1.663923693e+00 -1.663923693e+00 3.64 -1.632177066e+00 -1.632177066e+00 3.66 -1.600727819e+00 -1.600727819e+00 3.68 -1.569583445e+00 -1.569583445e+00 3.70 -1.538745706e+00 -1.538745706e+00 3.72 -1.508211967e+00 -1.508211967e+00 3.74 -1.477976838e+00 -1.477976838e+00 3.76 -1.448033747e+00 -1.448033747e+00 3.78 -1.418376243e+00 -1.418376243e+00 3.80 -1.388998934e+00 -1.388998934e+00 3.82 -1.359898036e+00 -1.359898036e+00 3.84 -1.331071558e+00 -1.331071558e+00 3.86 -1.302519186e+00 -1.302519186e+00 3.88 -1.274241912e+00 -1.274241912e+00 3.90 -1.246241499e+00 -1.246241499e+00 3.92 -1.218519710e+00 -1.218519710e+00 3.94 -1.191078397e+00 -1.191078397e+00 3.96 -1.163917942e+00 -1.163917942e+00 3.98 -1.137037702e+00 -1.137037702e+00 4.00 -1.110435685e+00 -1.110435685e+00 4.02 -1.084108623e+00 -1.084108623e+00 4.04 -1.058052227e+00 -1.058052227e+00 4.06 -1.032261574e+00 -1.032261574e+00 4.08 -1.006731637e+00 -1.006731637e+00 4.10 -9.814572514e-01 -9.814572514e-01 4.12 -9.564366003e-01 -9.564366003e-01 4.14 -9.316676504e-01 -9.316676504e-01 4.16 -9.071520802e-01 -9.071520802e-01 4.18 -8.828952997e-01 -8.828952997e-01 4.20 -8.589072111e-01 -8.589072111e-01 4.22 -8.352027897e-01 -8.352027897e-01 4.24 -8.118023725e-01 -8.118023725e-01 4.26 -7.887315444e-01 -7.887315444e-01 4.28 -7.660205400e-01 -7.660205400e-01 4.30 -7.437031275e-01 -7.437031275e-01 4.32 -7.218150142e-01 -7.218150142e-01 4.34 -7.003918882e-01 -7.003918882e-01 4.36 -6.794672835e-01 -6.794672835e-01 4.38 -6.590704902e-01 -6.590704902e-01 4.40 -6.392247392e-01 -6.392247392e-01 4.42 -6.199458443e-01 -6.199458443e-01 4.44 -6.012414155e-01 -6.012414155e-01 4.46 -5.831106686e-01 -5.831106686e-01 4.48 -5.655447777e-01 -5.655447777e-01 4.50 -5.485276551e-01 -5.485276551e-01 4.52 -5.320370160e-01 -5.320370160e-01 4.54 -5.160455828e-01 -5.160455828e-01 4.56 -5.005223064e-01 -5.005223064e-01 4.58 -4.854335137e-01 -4.854335137e-01 4.60 -4.707439290e-01 -4.707439290e-01 4.62 -4.564175502e-01 -4.564175502e-01 4.64 -4.424183854e-01 -4.424183854e-01 4.66 -4.287110752e-01 -4.287110752e-01 4.68 -4.152614346e-01 -4.152614346e-01 4.70 -4.020369505e-01 -4.020369505e-01 4.72 -3.890072695e-01 -3.890072695e-01 4.74 -3.761447036e-01 -3.761447036e-01 4.76 -3.634247719e-01 -3.634247719e-01 4.78 -3.508267848e-01 -3.508267848e-01 4.80 -3.383340698e-01 -3.383340698e-01 4.82 -3.259362409e-01 -3.259362409e-01 4.84 -3.136272306e-01 -3.136272306e-01 4.86 -3.014076098e-01 -3.014076098e-01 4.88 -2.892844868e-01 -2.892844868e-01 4.90 -2.772716585e-01 -2.772716585e-01 4.92 -2.653894715e-01 -2.653894715e-01 4.94 -2.536643336e-01 -2.536643336e-01 4.96 -2.421278482e-01 -2.421278482e-01 4.98 -2.308155743e-01 -2.308155743e-01 5.00 -2.197654649e-01 -2.197654649e-01 5.02 -2.090160767e-01 -2.090160767e-01 5.04 -1.986046825e-01 -1.986046825e-01 5.06 -1.885654373e-01 -1.885654373e-01 5.08 -1.789277526e-01 -1.789277526e-01 5.10 -1.697150068e-01 -1.697150068e-01 5.12 -1.609436851e-01 -1.609436851e-01 5.14 -1.526229879e-01 -1.526229879e-01 5.16 -1.447548954e-01 -1.447548954e-01 5.18 -1.373346303e-01 -1.373346303e-01 5.20 -1.303514307e-01 -1.303514307e-01 5.22 -1.237895269e-01 -1.237895269e-01 5.24 -1.176292219e-01 -1.176292219e-01 5.26 -1.118479786e-01 -1.118479786e-01 5.28 -1.064214465e-01 -1.064214465e-01 5.30 -1.013243751e-01 -1.013243751e-01 5.32 -9.653138756e-02 -9.653138756e-02 5.34 -9.201760087e-02 -9.201760087e-02 5.36 -8.775909787e-02 -8.775909787e-02 5.38 -8.373325986e-02 -8.373325986e-02 5.40 -7.991897820e-02 -7.991897820e-02 5.42 -7.629676297e-02 -7.629676297e-02 5.44 -7.284877150e-02 -7.284877150e-02 5.46 -6.955877532e-02 -6.955877532e-02 5.48 -6.641208566e-02 -6.641208566e-02 5.50 -6.339545592e-02 -6.339545592e-02 5.52 -6.049697792e-02 -6.049697792e-02 5.54 -5.770598598e-02 -5.770598598e-02 5.56 -5.501297972e-02 -5.501297972e-02 5.58 -5.240957369e-02 -5.240957369e-02 5.60 -4.988847384e-02 -4.988847384e-02 5.62 -4.744347106e-02 -4.744347106e-02 5.64 -4.506946563e-02 -4.506946563e-02 5.66 -4.276249405e-02 -4.276249405e-02 5.68 -4.051974959e-02 -4.051974959e-02 5.70 -3.833958320e-02 -3.833958320e-02 5.72 -3.622147129e-02 -3.622147129e-02 5.74 -3.416593965e-02 -3.416593965e-02 5.76 -3.217440404e-02 -3.217440404e-02 5.78 -3.024892669e-02 -3.024892669e-02 5.80 -2.839146603e-02 -2.839146603e-02 5.82 -2.660521120e-02 -2.660521120e-02 5.84 -2.489350884e-02 -2.489350884e-02 5.86 -2.325936589e-02 -2.325936589e-02 5.88 -2.170520931e-02 -2.170520931e-02 5.90 -2.023269155e-02 -2.023269155e-02 5.92 -1.884255598e-02 -1.884255598e-02 5.94 -1.753456922e-02 -1.753456922e-02 5.96 -1.630752038e-02 -1.630752038e-02 5.98 -1.515928075e-02 -1.515928075e-02 6.00 -1.408691263e-02 -1.408691263e-02