# 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 = AlMgPb2 # 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 3.107551493e+02 3.107551493e+02 1.30 2.901647625e+02 2.901647625e+02 1.32 2.710118287e+02 2.710118287e+02 1.34 2.531828245e+02 2.531828245e+02 1.36 2.365742748e+02 2.365742748e+02 1.38 2.210916563e+02 2.210916563e+02 1.40 2.066485876e+02 2.066485876e+02 1.42 1.931664815e+02 1.931664815e+02 1.44 1.805741461e+02 1.805741461e+02 1.46 1.688071628e+02 1.688071628e+02 1.48 1.578071101e+02 1.578071101e+02 1.50 1.475205629e+02 1.475205629e+02 1.52 1.378980024e+02 1.378980024e+02 1.54 1.288931372e+02 1.288931372e+02 1.56 1.204626688e+02 1.204626688e+02 1.58 1.125662980e+02 1.125662980e+02 1.60 1.051667362e+02 1.051667362e+02 1.62 9.822976196e+01 9.822976196e+01 1.64 9.172425170e+01 9.172425170e+01 1.66 8.562698236e+01 8.562698236e+01 1.68 7.992261747e+01 7.992261747e+01 1.70 7.458765888e+01 7.458765888e+01 1.72 6.959916139e+01 6.959916139e+01 1.74 6.493427614e+01 6.493427614e+01 1.76 6.057112713e+01 6.057112713e+01 1.78 5.648898640e+01 5.648898640e+01 1.80 5.266845211e+01 5.266845211e+01 1.82 4.909157139e+01 4.909157139e+01 1.84 4.574186190e+01 4.574186190e+01 1.86 4.260421540e+01 4.260421540e+01 1.88 3.966471067e+01 3.966471067e+01 1.90 3.691038768e+01 3.691038768e+01 1.92 3.432906782e+01 3.432906782e+01 1.94 3.190931787e+01 3.190931787e+01 1.96 2.964050522e+01 2.964050522e+01 1.98 2.751288369e+01 2.751288369e+01 2.00 2.551759536e+01 2.551759536e+01 2.02 2.364656065e+01 2.364656065e+01 2.04 2.189230937e+01 2.189230937e+01 2.06 2.024783794e+01 2.024783794e+01 2.08 1.870653660e+01 1.870653660e+01 2.10 1.726216362e+01 1.726216362e+01 2.12 1.590884700e+01 1.590884700e+01 2.14 1.464107159e+01 1.464107159e+01 2.16 1.345365945e+01 1.345365945e+01 2.18 1.234174674e+01 1.234174674e+01 2.20 1.130076146e+01 1.130076146e+01 2.22 1.032640936e+01 1.032640936e+01 2.24 9.414662710e+00 9.414662710e+00 2.26 8.561750451e+00 8.561750451e+00 2.28 7.764147874e+00 7.764147874e+00 2.30 7.018560841e+00 7.018560841e+00 2.32 6.321902940e+00 6.321902940e+00 2.34 5.671281513e+00 5.671281513e+00 2.36 5.063967910e+00 5.063967910e+00 2.38 4.497376344e+00 4.497376344e+00 2.40 3.969044143e+00 3.969044143e+00 2.42 3.476617792e+00 3.476617792e+00 2.44 3.017846997e+00 3.017846997e+00 2.46 2.590586724e+00 2.590586724e+00 2.48 2.192805480e+00 2.192805480e+00 2.50 1.822596187e+00 1.822596187e+00 2.52 1.478185378e+00 1.478185378e+00 2.54 1.157936656e+00 1.157936656e+00 2.56 8.603456546e-01 8.603456546e-01 2.58 5.840262398e-01 5.840262398e-01 2.60 3.276908987e-01 3.276908987e-01 2.62 9.013154143e-02 9.013154143e-02 2.64 -1.298000676e-01 -1.298000676e-01 2.66 -3.331936222e-01 -3.331936222e-01 2.68 -5.210861227e-01 -5.210861227e-01 2.70 -6.944577959e-01 -6.944577959e-01 2.72 -8.542289315e-01 -8.542289315e-01 2.74 -1.001382288e+00 -1.001382288e+00 2.76 -1.137243646e+00 -1.137243646e+00 2.78 -1.262410397e+00 -1.262410397e+00 2.80 -1.377368965e+00 -1.377368965e+00 2.82 -1.482589105e+00 -1.482589105e+00 2.84 -1.578524482e+00 -1.578524482e+00 2.86 -1.665611271e+00 -1.665611271e+00 2.88 -1.744268024e+00 -1.744268024e+00 2.90 -1.814896480e+00 -1.814896480e+00 2.92 -1.877885373e+00 -1.877885373e+00 2.94 -1.933622939e+00 -1.933622939e+00 2.96 -1.982493777e+00 -1.982493777e+00 2.98 -2.024879150e+00 -2.024879150e+00 3.00 -2.061163135e+00 -2.061163135e+00 3.02 -2.091737594e+00 -2.091737594e+00 3.04 -2.117003938e+00 -2.117003938e+00 3.06 -2.137375286e+00 -2.137375286e+00 3.08 -2.153266611e+00 -2.153266611e+00 3.10 -2.165090421e+00 -2.165090421e+00 3.12 -2.173245415e+00 -2.173245415e+00 3.14 -2.178112333e+00 -2.178112333e+00 3.16 -2.180039872e+00 -2.180039872e+00 3.18 -2.179345770e+00 -2.179345770e+00 3.20 -2.176352414e+00 -2.176352414e+00 3.22 -2.171321256e+00 -2.171321256e+00 3.24 -2.164422007e+00 -2.164422007e+00 3.26 -2.155804121e+00 -2.155804121e+00 3.28 -2.145598228e+00 -2.145598228e+00 3.30 -2.133918272e+00 -2.133918272e+00 3.32 -2.120864192e+00 -2.120864192e+00 3.34 -2.106524830e+00 -2.106524830e+00 3.36 -2.090980704e+00 -2.090980704e+00 3.38 -2.074306014e+00 -2.074306014e+00 3.40 -2.056563642e+00 -2.056563642e+00 3.42 -2.037807323e+00 -2.037807323e+00 3.44 -2.018102190e+00 -2.018102190e+00 3.46 -1.997503021e+00 -1.997503021e+00 3.48 -1.976056226e+00 -1.976056226e+00 3.50 -1.953811195e+00 -1.953811195e+00 3.52 -1.930819544e+00 -1.930819544e+00 3.54 -1.907134431e+00 -1.907134431e+00 3.56 -1.882810020e+00 -1.882810020e+00 3.58 -1.857901132e+00 -1.857901132e+00 3.60 -1.832463114e+00 -1.832463114e+00 3.62 -1.806551863e+00 -1.806551863e+00 3.64 -1.780220370e+00 -1.780220370e+00 3.66 -1.753509863e+00 -1.753509863e+00 3.68 -1.726462318e+00 -1.726462318e+00 3.70 -1.699123698e+00 -1.699123698e+00 3.72 -1.671543029e+00 -1.671543029e+00 3.74 -1.643771211e+00 -1.643771211e+00 3.76 -1.615859533e+00 -1.615859533e+00 3.78 -1.587858037e+00 -1.587858037e+00 3.80 -1.559813917e+00 -1.559813917e+00 3.82 -1.531770149e+00 -1.531770149e+00 3.84 -1.503764529e+00 -1.503764529e+00 3.86 -1.475829173e+00 -1.475829173e+00 3.88 -1.447990495e+00 -1.447990495e+00 3.90 -1.420269549e+00 -1.420269549e+00 3.92 -1.392681856e+00 -1.392681856e+00 3.94 -1.365241327e+00 -1.365241327e+00 3.96 -1.337955944e+00 -1.337955944e+00 3.98 -1.310831974e+00 -1.310831974e+00 4.00 -1.283873609e+00 -1.283873609e+00 4.02 -1.257083432e+00 -1.257083432e+00 4.04 -1.230462809e+00 -1.230462809e+00 4.06 -1.204012220e+00 -1.204012220e+00 4.08 -1.177731585e+00 -1.177731585e+00 4.10 -1.151618491e+00 -1.151618491e+00 4.12 -1.125677551e+00 -1.125677551e+00 4.14 -1.099906923e+00 -1.099906923e+00 4.16 -1.074308801e+00 -1.074308801e+00 4.18 -1.048887556e+00 -1.048887556e+00 4.20 -1.023650517e+00 -1.023650517e+00 4.22 -9.986087130e-01 -9.986087130e-01 4.24 -9.737774642e-01 -9.737774642e-01 4.26 -9.491767093e-01 -9.491767093e-01 4.28 -9.248309561e-01 -9.248309561e-01 4.30 -9.007687797e-01 -9.007687797e-01 4.32 -8.770218435e-01 -8.770218435e-01 4.34 -8.536234923e-01 -8.536234923e-01 4.36 -8.306070358e-01 -8.306070358e-01 4.38 -8.080039026e-01 -8.080039026e-01 4.40 -7.858418667e-01 -7.858418667e-01 4.42 -7.641435420e-01 -7.641435420e-01 4.44 -7.429252897e-01 -7.429252897e-01 4.46 -7.221966153e-01 -7.221966153e-01 4.48 -7.019600590e-01 -7.019600590e-01 4.50 -6.822115145e-01 -6.822115145e-01 4.52 -6.629408760e-01 -6.629408760e-01 4.54 -6.441328926e-01 -6.441328926e-01 4.56 -6.257681177e-01 -6.257681177e-01 4.58 -6.078238641e-01 -6.078238641e-01 4.60 -5.902751025e-01 -5.902751025e-01 4.62 -5.730952715e-01 -5.730952715e-01 4.64 -5.562569923e-01 -5.562569923e-01 4.66 -5.397326981e-01 -5.397326981e-01 4.68 -5.234952021e-01 -5.234952021e-01 4.70 -5.075182289e-01 -5.075182289e-01 4.72 -4.917769385e-01 -4.917769385e-01 4.74 -4.762484620e-01 -4.762484620e-01 4.76 -4.609124650e-01 -4.609124650e-01 4.78 -4.457517393e-01 -4.457517393e-01 4.80 -4.307511993e-01 -4.307511993e-01 4.82 -4.159051992e-01 -4.159051992e-01 4.84 -4.012075994e-01 -4.012075994e-01 4.86 -3.866595418e-01 -3.866595418e-01 4.88 -3.722678345e-01 -3.722678345e-01 4.90 -3.580450364e-01 -3.580450364e-01 4.92 -3.440092631e-01 -3.440092631e-01 4.94 -3.301836771e-01 -3.301836771e-01 4.96 -3.165956513e-01 -3.165956513e-01 4.98 -3.032756271e-01 -3.032756271e-01 5.00 -2.902557326e-01 -2.902557326e-01 5.02 -2.775682555e-01 -2.775682555e-01 5.04 -2.652440933e-01 -2.652440933e-01 5.06 -2.533113098e-01 -2.533113098e-01 5.08 -2.417939182e-01 -2.417939182e-01 5.10 -2.307109818e-01 -2.307109818e-01 5.12 -2.200760864e-01 -2.200760864e-01 5.14 -2.098971914e-01 -2.098971914e-01 5.16 -2.001768262e-01 -2.001768262e-01 5.18 -1.909125661e-01 -1.909125661e-01 5.20 -1.820977020e-01 -1.820977020e-01 5.22 -1.737220125e-01 -1.737220125e-01 5.24 -1.657725558e-01 -1.657725558e-01 5.26 -1.582344107e-01 -1.582344107e-01 5.28 -1.510913249e-01 -1.510913249e-01 5.30 -1.443262385e-01 -1.443262385e-01 5.32 -1.379216801e-01 -1.379216801e-01 5.34 -1.318600548e-01 -1.318600548e-01 5.36 -1.261238312e-01 -1.261238312e-01 5.38 -1.206956581e-01 -1.206956581e-01 5.40 -1.155584354e-01 -1.155584354e-01 5.42 -1.106953524e-01 -1.106953524e-01 5.44 -1.060899204e-01 -1.060899204e-01 5.46 -1.017260032e-01 -1.017260032e-01 5.48 -9.758785059e-02 -9.758785059e-02 5.50 -9.366013635e-02 -9.366013635e-02 5.52 -8.992799856e-02 -8.992799856e-02 5.54 -8.637708085e-02 -8.637708085e-02 5.56 -8.299356441e-02 -8.299356441e-02 5.58 -7.976390332e-02 -7.976390332e-02 5.60 -7.667546274e-02 -7.667546274e-02 5.62 -7.371641682e-02 -7.371641682e-02 5.64 -7.087554505e-02 -7.087554505e-02 5.66 -6.814226250e-02 -6.814226250e-02 5.68 -6.550664143e-02 -6.550664143e-02 5.70 -6.295942598e-02 -6.295942598e-02 5.72 -6.049204212e-02 -6.049204212e-02 5.74 -5.809660449e-02 -5.809660449e-02 5.76 -5.576592192e-02 -5.576592192e-02 5.78 -5.349350270e-02 -5.349350270e-02 5.80 -5.127356211e-02 -5.127356211e-02 5.82 -4.910103072e-02 -4.910103072e-02 5.84 -4.697156463e-02 -4.697156463e-02 5.86 -4.488155717e-02 -4.488155717e-02 5.88 -4.282815046e-02 -4.282815046e-02 5.90 -4.080924501e-02 -4.080924501e-02 5.92 -3.882350465e-02 -3.882350465e-02 5.94 -3.687035432e-02 -3.687035432e-02 5.96 -3.494996782e-02 -3.494996782e-02 5.98 -3.306323470e-02 -3.306323470e-02 6.00 -3.121171875e-02 -3.121171875e-02