# 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 = AuFeMo2 # 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 3.005606888e+02 3.005606888e+02 1.30 2.773731052e+02 2.773731052e+02 1.32 2.559755314e+02 2.559755314e+02 1.34 2.362124088e+02 2.362124088e+02 1.36 2.179438138e+02 2.179438138e+02 1.38 2.010454529e+02 2.010454529e+02 1.40 1.854071040e+02 1.854071040e+02 1.42 1.709299403e+02 1.709299403e+02 1.44 1.575240801e+02 1.575240801e+02 1.46 1.451071658e+02 1.451071658e+02 1.48 1.336038550e+02 1.336038550e+02 1.50 1.229456168e+02 1.229456168e+02 1.52 1.130702952e+02 1.130702952e+02 1.54 1.039212909e+02 1.039212909e+02 1.56 9.544656957e+01 9.544656957e+01 1.58 8.759777185e+01 8.759777185e+01 1.60 8.032956139e+01 8.032956139e+01 1.62 7.359918020e+01 7.359918020e+01 1.64 6.736613105e+01 6.736613105e+01 1.66 6.159197248e+01 6.159197248e+01 1.68 5.624028730e+01 5.624028730e+01 1.70 5.127687695e+01 5.127687695e+01 1.72 4.667014166e+01 4.667014166e+01 1.74 4.239150273e+01 4.239150273e+01 1.76 3.841568014e+01 3.841568014e+01 1.78 3.472731371e+01 3.472731371e+01 1.80 3.132237924e+01 3.132237924e+01 1.82 2.818272927e+01 2.818272927e+01 1.84 2.529031815e+01 2.529031815e+01 1.86 2.262824137e+01 2.262824137e+01 1.88 2.018051418e+01 2.018051418e+01 1.90 1.793195194e+01 1.793195194e+01 1.92 1.586809906e+01 1.586809906e+01 1.94 1.397518787e+01 1.397518787e+01 1.96 1.224012629e+01 1.224012629e+01 1.98 1.065050898e+01 1.065050898e+01 2.00 9.194636218e+00 9.194636218e+00 2.02 7.861522717e+00 7.861522717e+00 2.04 6.640886694e+00 6.640886694e+00 2.06 5.523121561e+00 5.523121561e+00 2.08 4.499263657e+00 4.499263657e+00 2.10 3.560974078e+00 3.560974078e+00 2.12 2.700546443e+00 2.700546443e+00 2.14 1.910937504e+00 1.910937504e+00 2.16 1.185802668e+00 1.185802668e+00 2.18 5.195131314e-01 5.195131314e-01 2.20 -9.286207237e-02 -9.286207237e-02 2.22 -6.556120341e-01 -6.556120341e-01 2.24 -1.172468218e+00 -1.172468218e+00 2.26 -1.646701092e+00 -1.646701092e+00 2.28 -2.081213945e+00 -2.081213945e+00 2.30 -2.478623533e+00 -2.478623533e+00 2.32 -2.841322959e+00 -2.841322959e+00 2.34 -3.171526842e+00 -3.171526842e+00 2.36 -3.471301636e+00 -3.471301636e+00 2.38 -3.742585011e+00 -3.742585011e+00 2.40 -3.987198024e+00 -3.987198024e+00 2.42 -4.206853088e+00 -4.206853088e+00 2.44 -4.403159717e+00 -4.403159717e+00 2.46 -4.577629178e+00 -4.577629178e+00 2.48 -4.731678309e+00 -4.731678309e+00 2.50 -4.866408461e+00 -4.866408461e+00 2.52 -4.983074337e+00 -4.983074337e+00 2.54 -5.083142193e+00 -5.083142193e+00 2.56 -5.167947086e+00 -5.167947086e+00 2.58 -5.238704709e+00 -5.238704709e+00 2.60 -5.296519720e+00 -5.296519720e+00 2.62 -5.342390593e+00 -5.342390593e+00 2.64 -5.377190523e+00 -5.377190523e+00 2.66 -5.401326711e+00 -5.401326711e+00 2.68 -5.414887787e+00 -5.414887787e+00 2.70 -5.417989118e+00 -5.417989118e+00 2.72 -5.410776954e+00 -5.410776954e+00 2.74 -5.393425631e+00 -5.393425631e+00 2.76 -5.366137956e+00 -5.366137956e+00 2.78 -5.329155857e+00 -5.329155857e+00 2.80 -5.282829182e+00 -5.282829182e+00 2.82 -5.227411551e+00 -5.227411551e+00 2.84 -5.163185133e+00 -5.163185133e+00 2.86 -5.090516549e+00 -5.090516549e+00 2.88 -5.009856742e+00 -5.009856742e+00 2.90 -4.921753420e+00 -4.921753420e+00 2.92 -4.826852828e+00 -4.826852828e+00 2.94 -4.725891878e+00 -4.725891878e+00 2.96 -4.619677099e+00 -4.619677099e+00 2.98 -4.509069828e+00 -4.509069828e+00 3.00 -4.394958400e+00 -4.394958400e+00 3.02 -4.278186293e+00 -4.278186293e+00 3.04 -4.159452804e+00 -4.159452804e+00 3.06 -4.039377062e+00 -4.039377062e+00 3.08 -3.918489703e+00 -3.918489703e+00 3.10 -3.797213944e+00 -3.797213944e+00 3.12 -3.675858857e+00 -3.675858857e+00 3.14 -3.554624409e+00 -3.554624409e+00 3.16 -3.433616322e+00 -3.433616322e+00 3.18 -3.312867772e+00 -3.312867772e+00 3.20 -3.192364572e+00 -3.192364572e+00 3.22 -3.072070778e+00 -3.072070778e+00 3.24 -2.951952362e+00 -2.951952362e+00 3.26 -2.831997485e+00 -2.831997485e+00 3.28 -2.712232816e+00 -2.712232816e+00 3.30 -2.592735913e+00 -2.592735913e+00 3.32 -2.473644061e+00 -2.473644061e+00 3.34 -2.355159901e+00 -2.355159901e+00 3.36 -2.237553954e+00 -2.237553954e+00 3.38 -2.121163734e+00 -2.121163734e+00 3.40 -2.006388874e+00 -2.006388874e+00 3.42 -1.893681615e+00 -1.893681615e+00 3.44 -1.783532295e+00 -1.783532295e+00 3.46 -1.676450132e+00 -1.676450132e+00 3.48 -1.572940390e+00 -1.572940390e+00 3.50 -1.473479823e+00 -1.473479823e+00 3.52 -1.378492787e+00 -1.378492787e+00 3.54 -1.288330525e+00 -1.288330525e+00 3.56 -1.203255692e+00 -1.203255692e+00 3.58 -1.123433463e+00 -1.123433463e+00 3.60 -1.048929617e+00 -1.048929617e+00 3.62 -9.797150651e-01 -9.797150651e-01 3.64 -9.156756202e-01 -9.156756202e-01 3.66 -8.566253837e-01 -8.566253837e-01 3.68 -8.023220580e-01 -8.023220580e-01 3.70 -7.524826360e-01 -7.524826360e-01 3.72 -7.067982446e-01 -7.067982446e-01 3.74 -6.649473002e-01 -6.649473002e-01 3.76 -6.266065044e-01 -6.266065044e-01 3.78 -5.914595204e-01 -5.914595204e-01 3.80 -5.592034040e-01 -5.592034040e-01 3.82 -5.295530138e-01 -5.295530138e-01 3.84 -5.022437067e-01 -5.022437067e-01 3.86 -4.770326495e-01 -4.770326495e-01 3.88 -4.536990688e-01 -4.536990688e-01 3.90 -4.320437284e-01 -4.320437284e-01 3.92 -4.118878776e-01 -4.118878776e-01 3.94 -3.930718740e-01 -3.930718740e-01 3.96 -3.754536297e-01 -3.754536297e-01 3.98 -3.589070074e-01 -3.589070074e-01 4.00 -3.433202426e-01 -3.433202426e-01 4.02 -3.285944595e-01 -3.285944595e-01 4.04 -3.146423155e-01 -3.146423155e-01 4.06 -3.013866892e-01 -3.013866892e-01 4.08 -2.887597262e-01 -2.887597262e-01 4.10 -2.767023127e-01 -2.767023127e-01 4.12 -2.651629364e-01 -2.651629364e-01 4.14 -2.540971315e-01 -2.540971315e-01 4.16 -2.434670438e-01 -2.434670438e-01 4.18 -2.332410519e-01 -2.332410519e-01 4.20 -2.233934107e-01 -2.233934107e-01 4.22 -2.139038732e-01 -2.139038732e-01 4.24 -2.047572394e-01 -2.047572394e-01 4.26 -1.959427934e-01 -1.959427934e-01 4.28 -1.874535989e-01 -1.874535989e-01 4.30 -1.792856515e-01 -1.792856515e-01 4.32 -1.714369111e-01 -1.714369111e-01 4.34 -1.639062685e-01 -1.639062685e-01 4.36 -1.566925233e-01 -1.566925233e-01 4.38 -1.497934590e-01 -1.497934590e-01 4.40 -1.432050935e-01 -1.432050935e-01 4.42 -1.369211658e-01 -1.369211658e-01 4.44 -1.309328873e-01 -1.309328873e-01 4.46 -1.252289459e-01 -1.252289459e-01 4.48 -1.197955632e-01 -1.197955632e-01 4.50 -1.146169505e-01 -1.146169505e-01 4.52 -1.096764271e-01 -1.096764271e-01 4.54 -1.049562414e-01 -1.049562414e-01 4.56 -1.004380788e-01 -1.004380788e-01 4.58 -9.610354573e-02 -9.610354573e-02 4.60 -9.193457229e-02 -9.193457229e-02 4.62 -8.791373319e-02 -8.791373319e-02 4.64 -8.402449670e-02 -8.402449670e-02 4.66 -8.025141574e-02 -8.025141574e-02 4.68 -7.658027829e-02 -7.658027829e-02 4.70 -7.299823343e-02 -7.299823343e-02 4.72 -6.949390668e-02 -6.949390668e-02 4.74 -6.605751453e-02 -6.605751453e-02 4.76 -6.268098323e-02 -6.268098323e-02 4.78 -5.935807187e-02 -5.935807187e-02 4.80 -5.608449371e-02 -5.608449371e-02 4.82 -5.285802797e-02 -5.285802797e-02 4.84 -4.967859793e-02 -4.967859793e-02 4.86 -4.654831044e-02 -4.654831044e-02 4.88 -4.347142560e-02 -4.347142560e-02 4.90 -4.045423789e-02 -4.045423789e-02 4.92 -3.750485880e-02 -3.750485880e-02 4.94 -3.463289247e-02 -3.463289247e-02 4.96 -3.184901022e-02 -3.184901022e-02 4.98 -2.916443114e-02 -2.916443114e-02 5.00 -2.659035720e-02 -2.659035720e-02 5.02 -2.413739086e-02 -2.413739086e-02 5.04 -2.181497807e-02 -2.181497807e-02 5.06 -1.963092357e-02 -1.963092357e-02 5.08 -1.759101606e-02 -1.759101606e-02 5.10 -1.569855620e-02 -1.569855620e-02 5.12 -1.395462159e-02 -1.395462159e-02 5.14 -1.235831671e-02 -1.235831671e-02 5.16 -1.090654197e-02 -1.090654197e-02 5.18 -9.594275958e-03 -9.594275958e-03 5.20 -8.414920620e-03 -8.414920620e-03 5.22 -7.360674869e-03 -7.360674869e-03 5.24 -6.422906720e-03 -6.422906720e-03 5.26 -5.592500614e-03 -5.592500614e-03 5.28 -4.860163789e-03 -4.860163789e-03 5.30 -4.216682586e-03 -4.216682586e-03 5.32 -3.653125592e-03 -3.653125592e-03 5.34 -3.160995150e-03 -3.160995150e-03 5.36 -2.732331871e-03 -2.732331871e-03 5.38 -2.359778626e-03 -2.359778626e-03 5.40 -2.036611210e-03 -2.036611210e-03 5.42 -1.756742814e-03 -1.756742814e-03 5.44 -1.514708902e-03 -1.514708902e-03 5.46 -1.305638199e-03 -1.305638199e-03 5.48 -1.125214593e-03 -1.125214593e-03 5.50 -9.696337440e-04 -9.696337440e-04 5.52 -8.355573368e-04 -8.355573368e-04 5.54 -7.200671621e-04 -7.200671621e-04 5.56 -6.206205422e-04 -6.206205422e-04 5.58 -5.350081311e-04 -5.350081311e-04 5.60 -4.613147106e-04 -4.613147106e-04 5.62 -3.978833064e-04 -3.978833064e-04 5.64 -3.432827313e-04 -3.432827313e-04 5.66 -2.962785091e-04 -2.962785091e-04 5.68 -2.558070322e-04 -2.558070322e-04 5.70 -2.209527430e-04 -2.209527430e-04 5.72 -1.909280933e-04 -1.909280933e-04 5.74 -1.650560240e-04 -1.650560240e-04 5.76 -1.427547048e-04 -1.427547048e-04 5.78 -1.235242849e-04 -1.235242849e-04 5.80 -1.069354194e-04 -1.069354194e-04 5.82 -9.261935564e-05 -9.261935564e-05 5.84 -8.025938290e-05 -8.025938290e-05 5.86 -6.958346878e-05 -6.958346878e-05 5.88 -6.035792542e-05 -6.035792542e-05 5.90 -5.238196708e-05 -5.238196708e-05 5.92 -4.548303720e-05 -4.548303720e-05 5.94 -3.951279859e-05 -3.951279859e-05 5.96 -3.434369437e-05 -3.434369437e-05 5.98 -2.986599932e-05 -2.986599932e-05 6.00 -2.598529227e-05 -2.598529227e-05