# 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 = AlAuMg2 # 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 2.882402224e+02 2.882402224e+02 1.30 2.673197285e+02 2.673197285e+02 1.32 2.479495531e+02 2.479495531e+02 1.34 2.300061086e+02 2.300061086e+02 1.36 2.133762920e+02 2.133762920e+02 1.38 1.979573796e+02 1.979573796e+02 1.40 1.836562761e+02 1.836562761e+02 1.42 1.703879906e+02 1.703879906e+02 1.44 1.580739746e+02 1.580739746e+02 1.46 1.466407922e+02 1.466407922e+02 1.48 1.360196302e+02 1.360196302e+02 1.50 1.261469318e+02 1.261469318e+02 1.52 1.169653574e+02 1.169653574e+02 1.54 1.084238303e+02 1.084238303e+02 1.56 1.004765258e+02 1.004765258e+02 1.58 9.308153781e+01 9.308153781e+01 1.60 8.620127765e+01 8.620127765e+01 1.62 7.980961211e+01 7.980961211e+01 1.64 7.387248071e+01 7.387248071e+01 1.66 6.835588624e+01 6.835588624e+01 1.68 6.322882912e+01 6.322882912e+01 1.70 5.846147198e+01 5.846147198e+01 1.72 5.402687782e+01 5.402687782e+01 1.74 4.990098618e+01 4.990098618e+01 1.76 4.606220078e+01 4.606220078e+01 1.78 4.249085575e+01 4.249085575e+01 1.80 3.916878430e+01 3.916878430e+01 1.82 3.607906942e+01 3.607906942e+01 1.84 3.320594837e+01 3.320594837e+01 1.86 3.053479461e+01 3.053479461e+01 1.88 2.805208555e+01 2.805208555e+01 1.90 2.574530982e+01 2.574530982e+01 1.92 2.360280396e+01 2.360280396e+01 1.94 2.161353931e+01 2.161353931e+01 1.96 1.976693149e+01 1.976693149e+01 1.98 1.805275036e+01 1.805275036e+01 2.00 1.646118190e+01 1.646118190e+01 2.02 1.498300370e+01 1.498300370e+01 2.04 1.360976589e+01 1.360976589e+01 2.06 1.233387106e+01 1.233387106e+01 2.08 1.114852206e+01 1.114852206e+01 2.10 1.004758704e+01 1.004758704e+01 2.12 9.025446997e+00 9.025446997e+00 2.14 8.076876532e+00 8.076876532e+00 2.16 7.196970446e+00 7.196970446e+00 2.18 6.381107626e+00 6.381107626e+00 2.20 5.624941258e+00 5.624941258e+00 2.22 4.924397874e+00 4.924397874e+00 2.24 4.275680610e+00 4.275680610e+00 2.26 3.675270679e+00 3.675270679e+00 2.28 3.119922533e+00 3.119922533e+00 2.30 2.606656925e+00 2.606656925e+00 2.32 2.132742285e+00 2.132742285e+00 2.34 1.695674546e+00 1.695674546e+00 2.36 1.293151557e+00 1.293151557e+00 2.38 9.230469388e-01 9.230469388e-01 2.40 5.833834264e-01 5.833834264e-01 2.42 2.723056989e-01 2.723056989e-01 2.44 -1.194426885e-02 -1.194426885e-02 2.46 -2.710514022e-01 -2.710514022e-01 2.48 -5.066479260e-01 -5.066479260e-01 2.50 -7.203306607e-01 -7.203306607e-01 2.52 -9.136747769e-01 -9.136747769e-01 2.54 -1.088243130e+00 -1.088243130e+00 2.56 -1.245589018e+00 -1.245589018e+00 2.58 -1.387276744e+00 -1.387276744e+00 2.60 -1.514883970e+00 -1.514883970e+00 2.62 -1.630421715e+00 -1.630421715e+00 2.64 -1.735145789e+00 -1.735145789e+00 2.66 -1.829881505e+00 -1.829881505e+00 2.68 -1.915355093e+00 -1.915355093e+00 2.70 -1.992176935e+00 -1.992176935e+00 2.72 -2.060848063e+00 -2.060848063e+00 2.74 -2.121781732e+00 -2.121781732e+00 2.76 -2.175327660e+00 -2.175327660e+00 2.78 -2.221802464e+00 -2.221802464e+00 2.80 -2.261515934e+00 -2.261515934e+00 2.82 -2.294767322e+00 -2.294767322e+00 2.84 -2.321851247e+00 -2.321851247e+00 2.86 -2.343059678e+00 -2.343059678e+00 2.88 -2.358682711e+00 -2.358682711e+00 2.90 -2.369009374e+00 -2.369009374e+00 2.92 -2.374329555e+00 -2.374329555e+00 2.94 -2.374937627e+00 -2.374937627e+00 2.96 -2.371137735e+00 -2.371137735e+00 2.98 -2.363250028e+00 -2.363250028e+00 3.00 -2.351616388e+00 -2.351616388e+00 3.02 -2.336603645e+00 -2.336603645e+00 3.04 -2.318601956e+00 -2.318601956e+00 3.06 -2.298018581e+00 -2.298018581e+00 3.08 -2.275262969e+00 -2.275262969e+00 3.10 -2.250731036e+00 -2.250731036e+00 3.12 -2.224786993e+00 -2.224786993e+00 3.14 -2.197750644e+00 -2.197750644e+00 3.16 -2.169886715e+00 -2.169886715e+00 3.18 -2.141405215e+00 -2.141405215e+00 3.20 -2.112465617e+00 -2.112465617e+00 3.22 -2.083185512e+00 -2.083185512e+00 3.24 -2.053650920e+00 -2.053650920e+00 3.26 -2.023937036e+00 -2.023937036e+00 3.28 -1.994115338e+00 -1.994115338e+00 3.30 -1.964205964e+00 -1.964205964e+00 3.32 -1.934227242e+00 -1.934227242e+00 3.34 -1.904199263e+00 -1.904199263e+00 3.36 -1.874143492e+00 -1.874143492e+00 3.38 -1.844082029e+00 -1.844082029e+00 3.40 -1.814037009e+00 -1.814037009e+00 3.42 -1.784030788e+00 -1.784030788e+00 3.44 -1.754085579e+00 -1.754085579e+00 3.46 -1.724213348e+00 -1.724213348e+00 3.48 -1.694398955e+00 -1.694398955e+00 3.50 -1.664631170e+00 -1.664631170e+00 3.52 -1.634907191e+00 -1.634907191e+00 3.54 -1.605231178e+00 -1.605231178e+00 3.56 -1.575612795e+00 -1.575612795e+00 3.58 -1.546065795e+00 -1.546065795e+00 3.60 -1.516606729e+00 -1.516606729e+00 3.62 -1.487253812e+00 -1.487253812e+00 3.64 -1.458025971e+00 -1.458025971e+00 3.66 -1.428942086e+00 -1.428942086e+00 3.68 -1.400020415e+00 -1.400020415e+00 3.70 -1.371278186e+00 -1.371278186e+00 3.72 -1.342731356e+00 -1.342731356e+00 3.74 -1.314394493e+00 -1.314394493e+00 3.76 -1.286280785e+00 -1.286280785e+00 3.78 -1.258402122e+00 -1.258402122e+00 3.80 -1.230769221e+00 -1.230769221e+00 3.82 -1.203391744e+00 -1.203391744e+00 3.84 -1.176278358e+00 -1.176278358e+00 3.86 -1.149436697e+00 -1.149436697e+00 3.88 -1.122873224e+00 -1.122873224e+00 3.90 -1.096592986e+00 -1.096592986e+00 3.92 -1.070599172e+00 -1.070599172e+00 3.94 -1.044893503e+00 -1.044893503e+00 3.96 -1.019475034e+00 -1.019475034e+00 3.98 -9.943408550e-01 -9.943408550e-01 4.00 -9.694860466e-01 -9.694860466e-01 4.02 -9.449040056e-01 -9.449040056e-01 4.04 -9.205869186e-01 -9.205869186e-01 4.06 -8.965263685e-01 -8.965263685e-01 4.08 -8.727140531e-01 -8.727140531e-01 4.10 -8.491420250e-01 -8.491420250e-01 4.12 -8.258060231e-01 -8.258060231e-01 4.14 -8.027026127e-01 -8.027026127e-01 4.16 -7.798329035e-01 -7.798329035e-01 4.18 -7.572028062e-01 -7.572028062e-01 4.20 -7.348238890e-01 -7.348238890e-01 4.22 -7.127139949e-01 -7.127139949e-01 4.24 -6.908974864e-01 -6.908974864e-01 4.26 -6.694049917e-01 -6.694049917e-01 4.28 -6.482725637e-01 -6.482725637e-01 4.30 -6.275402230e-01 -6.275402230e-01 4.32 -6.072499441e-01 -6.072499441e-01 4.34 -5.874432370e-01 -5.874432370e-01 4.36 -5.681585532e-01 -5.681585532e-01 4.38 -5.494287911e-01 -5.494287911e-01 4.40 -5.312791704e-01 -5.312791704e-01 4.42 -5.137256917e-01 -5.137256917e-01 4.44 -4.967743065e-01 -4.967743065e-01 4.46 -4.804208175e-01 -4.804208175e-01 4.48 -4.646514309e-01 -4.646514309e-01 4.50 -4.494438151e-01 -4.494438151e-01 4.52 -4.347684852e-01 -4.347684852e-01 4.54 -4.205903361e-01 -4.205903361e-01 4.56 -4.068701744e-01 -4.068701744e-01 4.58 -3.935661432e-01 -3.935661432e-01 4.60 -3.806349770e-01 -3.806349770e-01 4.62 -3.680330688e-01 -3.680330688e-01 4.64 -3.557173596e-01 -3.557173596e-01 4.66 -3.436460845e-01 -3.436460845e-01 4.68 -3.317794166e-01 -3.317794166e-01 4.70 -3.200800571e-01 -3.200800571e-01 4.72 -3.085138109e-01 -3.085138109e-01 4.74 -2.970501821e-01 -2.970501821e-01 4.76 -2.856630076e-01 -2.856630076e-01 4.78 -2.743311339e-01 -2.743311339e-01 4.80 -2.630387560e-01 -2.630387560e-01 4.82 -2.517776487e-01 -2.517776487e-01 4.84 -2.405454116e-01 -2.405454116e-01 4.86 -2.293476687e-01 -2.293476687e-01 4.88 -2.181979374e-01 -2.181979374e-01 4.90 -2.071176497e-01 -2.071176497e-01 4.92 -1.961358052e-01 -1.961358052e-01 4.94 -1.852882000e-01 -1.852882000e-01 4.96 -1.746162152e-01 -1.746162152e-01 4.98 -1.641651908e-01 -1.641651908e-01 5.00 -1.539824665e-01 -1.539824665e-01 5.02 -1.441152173e-01 -1.441152173e-01 5.04 -1.346082477e-01 -1.346082477e-01 5.06 -1.255019209e-01 -1.255019209e-01 5.08 -1.168303921e-01 -1.168303921e-01 5.10 -1.086202781e-01 -1.086202781e-01 5.12 -1.008898459e-01 -1.008898459e-01 5.14 -9.364874339e-02 -9.364874339e-02 5.16 -8.689823857e-02 -8.689823857e-02 5.18 -8.063188756e-02 -8.063188756e-02 5.20 -7.483652378e-02 -7.483652378e-02 5.22 -6.949344916e-02 -6.949344916e-02 5.24 -6.457971687e-02 -6.457971687e-02 5.26 -6.006939788e-02 -6.006939788e-02 5.28 -5.593473610e-02 -5.593473610e-02 5.30 -5.214721677e-02 -5.214721677e-02 5.32 -4.867844045e-02 -4.867844045e-02 5.34 -4.550081757e-02 -4.550081757e-02 5.36 -4.258760445e-02 -4.258760445e-02 5.38 -3.991320769e-02 -3.991320769e-02 5.40 -3.745587570e-02 -3.745587570e-02 5.42 -3.519558540e-02 -3.519558540e-02 5.44 -3.311402726e-02 -3.311402726e-02 5.46 -3.119463824e-02 -3.119463824e-02 5.48 -2.942254159e-02 -2.942254159e-02 5.50 -2.778442479e-02 -2.778442479e-02 5.52 -2.626838173e-02 -2.626838173e-02 5.54 -2.486374033e-02 -2.486374033e-02 5.56 -2.356089197e-02 -2.356089197e-02 5.58 -2.235113456e-02 -2.235113456e-02 5.60 -2.122653659e-02 -2.122653659e-02 5.62 -2.017982544e-02 -2.017982544e-02 5.64 -1.920429994e-02 -1.920429994e-02 5.66 -1.829376458e-02 -1.829376458e-02 5.68 -1.744248160e-02 -1.744248160e-02 5.70 -1.664513627e-02 -1.664513627e-02 5.72 -1.589681103e-02 -1.589681103e-02 5.74 -1.519296438e-02 -1.519296438e-02 5.76 -1.452937831e-02 -1.452937831e-02 5.78 -1.390219616e-02 -1.390219616e-02 5.80 -1.330790712e-02 -1.330790712e-02 5.82 -1.274330182e-02 -1.274330182e-02 5.84 -1.220545249e-02 -1.220545249e-02 5.86 -1.169169277e-02 -1.169169277e-02 5.88 -1.119959785e-02 -1.119959785e-02 5.90 -1.072696537e-02 -1.072696537e-02 5.92 -1.027179782e-02 -1.027179782e-02 5.94 -9.832286820e-03 -9.832286820e-03 5.96 -9.406799768e-03 -9.406799768e-03 5.98 -8.993869020e-03 -8.993869020e-03 6.00 -8.592183856e-03 -8.592183856e-03