# 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 = MgPt2Ta # 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 4.546321954e+02 4.546321954e+02 1.30 4.239269723e+02 4.239269723e+02 1.32 3.953514961e+02 3.953514961e+02 1.34 3.687523384e+02 3.687523384e+02 1.36 3.439793834e+02 3.439793834e+02 1.38 3.208881198e+02 3.208881198e+02 1.40 2.993433514e+02 2.993433514e+02 1.42 2.792221054e+02 2.792221054e+02 1.44 2.604127673e+02 2.604127673e+02 1.46 2.428132739e+02 2.428132739e+02 1.48 2.263323600e+02 2.263323600e+02 1.50 2.108917928e+02 2.108917928e+02 1.52 1.964252856e+02 1.964252856e+02 1.54 1.828738444e+02 1.828738444e+02 1.56 1.701807000e+02 1.701807000e+02 1.58 1.582883114e+02 1.582883114e+02 1.60 1.471378918e+02 1.471378918e+02 1.62 1.366707632e+02 1.366707632e+02 1.64 1.268307360e+02 1.268307360e+02 1.66 1.175667145e+02 1.175667145e+02 1.68 1.088347339e+02 1.088347339e+02 1.70 1.005986924e+02 1.005986924e+02 1.72 9.282935732e+01 9.282935732e+01 1.74 8.550175688e+01 8.550175688e+01 1.76 7.859193271e+01 7.859193271e+01 1.78 7.207655068e+01 7.207655068e+01 1.80 6.593139015e+01 6.593139015e+01 1.82 6.012927253e+01 6.012927253e+01 1.84 5.466126020e+01 5.466126020e+01 1.86 4.959605578e+01 4.959605578e+01 1.88 4.492053430e+01 4.492053430e+01 1.90 4.060938705e+01 4.060938705e+01 1.92 3.663919571e+01 3.663919571e+01 1.94 3.298718178e+01 3.298718178e+01 1.96 2.963099887e+01 2.963099887e+01 1.98 2.654918381e+01 2.654918381e+01 2.00 2.372160258e+01 2.372160258e+01 2.02 2.112950853e+01 2.112950853e+01 2.04 1.875528927e+01 1.875528927e+01 2.06 1.658218131e+01 1.658218131e+01 2.08 1.459414229e+01 1.459414229e+01 2.10 1.277589143e+01 1.277589143e+01 2.12 1.111302412e+01 1.111302412e+01 2.14 9.592123082e+00 9.592123082e+00 2.16 8.200833503e+00 8.200833503e+00 2.18 6.927904214e+00 6.927904214e+00 2.20 5.763196250e+00 5.763196250e+00 2.22 4.697649746e+00 4.697649746e+00 2.24 3.723209255e+00 3.723209255e+00 2.26 2.832716318e+00 2.832716318e+00 2.28 2.019785088e+00 2.019785088e+00 2.30 1.278678266e+00 1.278678266e+00 2.32 6.041933407e-01 6.041933407e-01 2.34 -8.433153259e-03 -8.433153259e-03 2.36 -5.636002471e-01 -5.636002471e-01 2.38 -1.065400636e+00 -1.065400636e+00 2.40 -1.517668627e+00 -1.517668627e+00 2.42 -1.924025769e+00 -1.924025769e+00 2.44 -2.287926670e+00 -2.287926670e+00 2.46 -2.612704808e+00 -2.612704808e+00 2.48 -2.901585412e+00 -2.901585412e+00 2.50 -3.157662016e+00 -3.157662016e+00 2.52 -3.384178302e+00 -3.384178302e+00 2.54 -3.584280903e+00 -3.584280903e+00 2.56 -3.760915760e+00 -3.760915760e+00 2.58 -3.916742826e+00 -3.916742826e+00 2.60 -4.054062221e+00 -4.054062221e+00 2.62 -4.175164722e+00 -4.175164722e+00 2.64 -4.283421902e+00 -4.283421902e+00 2.66 -4.379579773e+00 -4.379579773e+00 2.68 -4.463918920e+00 -4.463918920e+00 2.70 -4.536691674e+00 -4.536691674e+00 2.72 -4.598149479e+00 -4.598149479e+00 2.74 -4.648560446e+00 -4.648560446e+00 2.76 -4.688216950e+00 -4.688216950e+00 2.78 -4.717436136e+00 -4.717436136e+00 2.80 -4.736557954e+00 -4.736557954e+00 2.82 -4.745942394e+00 -4.745942394e+00 2.84 -4.745971244e+00 -4.745971244e+00 2.86 -4.737053701e+00 -4.737053701e+00 2.88 -4.719636783e+00 -4.719636783e+00 2.90 -4.694218781e+00 -4.694218781e+00 2.92 -4.661362328e+00 -4.661362328e+00 2.94 -4.621702222e+00 -4.621702222e+00 2.96 -4.575942766e+00 -4.575942766e+00 2.98 -4.524841003e+00 -4.524841003e+00 3.00 -4.469175865e+00 -4.469175865e+00 3.02 -4.409707915e+00 -4.409707915e+00 3.04 -4.347137785e+00 -4.347137785e+00 3.06 -4.282073570e+00 -4.282073570e+00 3.08 -4.215010374e+00 -4.215010374e+00 3.10 -4.146328353e+00 -4.146328353e+00 3.12 -4.076302978e+00 -4.076302978e+00 3.14 -4.005125199e+00 -4.005125199e+00 3.16 -3.932922658e+00 -3.932922658e+00 3.18 -3.859782247e+00 -3.859782247e+00 3.20 -3.785768142e+00 -3.785768142e+00 3.22 -3.710935877e+00 -3.710935877e+00 3.24 -3.635342316e+00 -3.635342316e+00 3.26 -3.559051961e+00 -3.559051961e+00 3.28 -3.482140133e+00 -3.482140133e+00 3.30 -3.404693461e+00 -3.404693461e+00 3.32 -3.326808145e+00 -3.326808145e+00 3.34 -3.248586511e+00 -3.248586511e+00 3.36 -3.170132527e+00 -3.170132527e+00 3.38 -3.091547002e+00 -3.091547002e+00 3.40 -3.012923079e+00 -3.012923079e+00 3.42 -2.934342745e+00 -2.934342745e+00 3.44 -2.855874073e+00 -2.855874073e+00 3.46 -2.777570034e+00 -2.777570034e+00 3.48 -2.699475880e+00 -2.699475880e+00 3.50 -2.621672816e+00 -2.621672816e+00 3.52 -2.544299948e+00 -2.544299948e+00 3.54 -2.467491829e+00 -2.467491829e+00 3.56 -2.391366819e+00 -2.391366819e+00 3.58 -2.316031442e+00 -2.316031442e+00 3.60 -2.241584800e+00 -2.241584800e+00 3.62 -2.168122860e+00 -2.168122860e+00 3.64 -2.095741987e+00 -2.095741987e+00 3.66 -2.024531921e+00 -2.024531921e+00 3.68 -1.954578279e+00 -1.954578279e+00 3.70 -1.885979876e+00 -1.885979876e+00 3.72 -1.818847989e+00 -1.818847989e+00 3.74 -1.753303473e+00 -1.753303473e+00 3.76 -1.689472669e+00 -1.689472669e+00 3.78 -1.627482204e+00 -1.627482204e+00 3.80 -1.567452960e+00 -1.567452960e+00 3.82 -1.509493672e+00 -1.509493672e+00 3.84 -1.453694755e+00 -1.453694755e+00 3.86 -1.400122963e+00 -1.400122963e+00 3.88 -1.348817474e+00 -1.348817474e+00 3.90 -1.299787771e+00 -1.299787771e+00 3.92 -1.253013429e+00 -1.253013429e+00 3.94 -1.208446457e+00 -1.208446457e+00 3.96 -1.166014068e+00 -1.166014068e+00 3.98 -1.125624040e+00 -1.125624040e+00 4.00 -1.087170137e+00 -1.087170137e+00 4.02 -1.050537887e+00 -1.050537887e+00 4.04 -1.015610102e+00 -1.015610102e+00 4.06 -9.822717420e-01 -9.822717420e-01 4.08 -9.504138254e-01 -9.504138254e-01 4.10 -9.199360642e-01 -9.199360642e-01 4.12 -8.907490256e-01 -8.907490256e-01 4.14 -8.627735289e-01 -8.627735289e-01 4.16 -8.359406039e-01 -8.359406039e-01 4.18 -8.101897002e-01 -8.101897002e-01 4.20 -7.854664921e-01 -7.854664921e-01 4.22 -7.617204284e-01 -7.617204284e-01 4.24 -7.389023671e-01 -7.389023671e-01 4.26 -7.169625860e-01 -7.169625860e-01 4.28 -6.958493656e-01 -6.958493656e-01 4.30 -6.755082220e-01 -6.755082220e-01 4.32 -6.558817503e-01 -6.558817503e-01 4.34 -6.369099535e-01 -6.369099535e-01 4.36 -6.185308812e-01 -6.185308812e-01 4.38 -6.006814079e-01 -6.006814079e-01 4.40 -5.832980031e-01 -5.832980031e-01 4.42 -5.663174020e-01 -5.663174020e-01 4.44 -5.496771317e-01 -5.496771317e-01 4.46 -5.333158957e-01 -5.333158957e-01 4.48 -5.171738513e-01 -5.171738513e-01 4.50 -5.011928348e-01 -5.011928348e-01 4.52 -4.853166001e-01 -4.853166001e-01 4.54 -4.694911373e-01 -4.694911373e-01 4.56 -4.536651343e-01 -4.536651343e-01 4.58 -4.377906360e-01 -4.377906360e-01 4.60 -4.218239427e-01 -4.218239427e-01 4.62 -4.057267701e-01 -4.057267701e-01 4.64 -3.894676716e-01 -3.894676716e-01 4.66 -3.730236902e-01 -3.730236902e-01 4.68 -3.563821716e-01 -3.563821716e-01 4.70 -3.395426244e-01 -3.395426244e-01 4.72 -3.225184720e-01 -3.225184720e-01 4.74 -3.053384976e-01 -3.053384976e-01 4.76 -2.880477604e-01 -2.880477604e-01 4.78 -2.707077569e-01 -2.707077569e-01 4.80 -2.533954573e-01 -2.533954573e-01 4.82 -2.362021790e-01 -2.362021790e-01 4.84 -2.192294778e-01 -2.192294778e-01 4.86 -2.025860144e-01 -2.025860144e-01 4.88 -1.863826665e-01 -1.863826665e-01 4.90 -1.707274814e-01 -1.707274814e-01 4.92 -1.557206905e-01 -1.557206905e-01 4.94 -1.414502304e-01 -1.414502304e-01 4.96 -1.279881548e-01 -1.279881548e-01 4.98 -1.153882105e-01 -1.153882105e-01 5.00 -1.036847009e-01 -1.036847009e-01 5.02 -9.289260300e-02 -9.289260300e-02 5.04 -8.300878485e-02 -8.300878485e-02 5.06 -7.401407054e-02 -7.401407054e-02 5.08 -6.587586279e-02 -6.587586279e-02 5.10 -5.855103327e-02 -5.855103327e-02 5.12 -5.198882783e-02 -5.198882783e-02 5.14 -4.613359169e-02 -4.613359169e-02 5.16 -4.092717605e-02 -4.092717605e-02 5.18 -3.631096362e-02 -3.631096362e-02 5.20 -3.222745962e-02 -3.222745962e-02 5.22 -2.862152689e-02 -2.862152689e-02 5.24 -2.544124177e-02 -2.544124177e-02 5.26 -2.263818605e-02 -2.263818605e-02 5.28 -2.016746051e-02 -2.016746051e-02 5.30 -1.798977951e-02 -1.798977951e-02 5.32 -1.606964881e-02 -1.606964881e-02 5.34 -1.437522168e-02 -1.437522168e-02 5.36 -1.287851341e-02 -1.287851341e-02 5.38 -1.155482116e-02 -1.155482116e-02 5.40 -1.038244956e-02 -1.038244956e-02 5.42 -9.342514243e-03 -9.342514243e-03 5.44 -8.418652015e-03 -8.418652015e-03 5.46 -7.596729082e-03 -7.596729082e-03 5.48 -6.864557448e-03 -6.864557448e-03 5.50 -6.211626739e-03 -6.211626739e-03 5.52 -5.628856787e-03 -5.628856787e-03 5.54 -5.108374791e-03 -5.108374791e-03 5.56 -4.643319511e-03 -4.643319511e-03 5.58 -4.227673565e-03 -4.227673565e-03 5.60 -3.856123510e-03 -3.856123510e-03 5.62 -3.523946076e-03 -3.523946076e-03 5.64 -3.226917833e-03 -3.226917833e-03 5.66 -2.961244827e-03 -2.961244827e-03 5.68 -2.723508402e-03 -2.723508402e-03 5.70 -2.510623450e-03 -2.510623450e-03 5.72 -2.319805703e-03 -2.319805703e-03 5.74 -2.148545260e-03 -2.148545260e-03 5.76 -1.994584135e-03 -1.994584135e-03 5.78 -1.855896307e-03 -1.855896307e-03 5.80 -1.730669245e-03 -1.730669245e-03 5.82 -1.617286361e-03 -1.617286361e-03 5.84 -1.514310134e-03 -1.514310134e-03 5.86 -1.420465868e-03 -1.420465868e-03 5.88 -1.334626141e-03 -1.334626141e-03 5.90 -1.255796095e-03 -1.255796095e-03 5.92 -1.183099658e-03 -1.183099658e-03 5.94 -1.115766845e-03 -1.115766845e-03 5.96 -1.053122182e-03 -1.053122182e-03 5.98 -9.945743060e-04 -9.945743060e-04 6.00 -9.396067502e-04 -9.396067502e-04