# 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 = Au2CuNi # 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 2.162638177e+02 2.162638177e+02 1.30 1.997071526e+02 1.997071526e+02 1.32 1.843989720e+02 1.843989720e+02 1.34 1.702429802e+02 1.702429802e+02 1.36 1.571493743e+02 1.571493743e+02 1.38 1.450334079e+02 1.450334079e+02 1.40 1.338159024e+02 1.338159024e+02 1.42 1.234240556e+02 1.234240556e+02 1.44 1.137916971e+02 1.137916971e+02 1.46 1.048590682e+02 1.048590682e+02 1.48 9.657241298e+01 9.657241298e+01 1.50 8.888344465e+01 8.888344465e+01 1.52 8.174842683e+01 8.174842683e+01 1.54 7.512684915e+01 7.512684915e+01 1.56 6.898029604e+01 6.898029604e+01 1.58 6.327207516e+01 6.327207516e+01 1.60 5.796755331e+01 5.796755331e+01 1.62 5.303470985e+01 5.303470985e+01 1.64 4.844442150e+01 4.844442150e+01 1.66 4.417132451e+01 4.417132451e+01 1.68 4.021261818e+01 4.021261818e+01 1.70 3.655280356e+01 3.655280356e+01 1.72 3.316944118e+01 3.316944118e+01 1.74 3.004234977e+01 3.004234977e+01 1.76 2.715348635e+01 2.715348635e+01 1.78 2.448655712e+01 2.448655712e+01 1.80 2.202652966e+01 2.202652966e+01 1.82 1.975914639e+01 1.975914639e+01 1.84 1.767065956e+01 1.767065956e+01 1.86 1.574785310e+01 1.574785310e+01 1.88 1.397821601e+01 1.397821601e+01 1.90 1.235008704e+01 1.235008704e+01 1.92 1.085268315e+01 1.085268315e+01 1.94 9.476026555e+00 9.476026555e+00 1.96 8.210836020e+00 8.210836020e+00 1.98 7.048449186e+00 7.048449186e+00 2.00 5.980808798e+00 5.980808798e+00 2.02 5.000495567e+00 5.000495567e+00 2.04 4.100757871e+00 4.100757871e+00 2.06 3.275496678e+00 3.275496678e+00 2.08 2.519200489e+00 2.519200489e+00 2.10 1.826854975e+00 1.826854975e+00 2.12 1.193855698e+00 1.193855698e+00 2.14 6.159381897e-01 6.159381897e-01 2.16 8.912590498e-02 8.912590498e-02 2.18 -3.903079798e-01 -3.903079798e-01 2.20 -8.258664091e-01 -8.258664091e-01 2.22 -1.220840593e+00 -1.220840593e+00 2.24 -1.578308559e+00 -1.578308559e+00 2.26 -1.901125850e+00 -1.901125850e+00 2.28 -2.191919542e+00 -2.191919542e+00 2.30 -2.453096465e+00 -2.453096465e+00 2.32 -2.686868688e+00 -2.686868688e+00 2.34 -2.895288470e+00 -2.895288470e+00 2.36 -3.080278957e+00 -3.080278957e+00 2.38 -3.243650272e+00 -3.243650272e+00 2.40 -3.387100472e+00 -3.387100472e+00 2.42 -3.512209394e+00 -3.512209394e+00 2.44 -3.620435304e+00 -3.620435304e+00 2.46 -3.713119984e+00 -3.713119984e+00 2.48 -3.791502047e+00 -3.791502047e+00 2.50 -3.856734629e+00 -3.856734629e+00 2.52 -3.909903534e+00 -3.909903534e+00 2.54 -3.952040338e+00 -3.952040338e+00 2.56 -3.984132786e+00 -3.984132786e+00 2.58 -4.007186678e+00 -4.007186678e+00 2.60 -4.022224761e+00 -4.022224761e+00 2.62 -4.029941277e+00 -4.029941277e+00 2.64 -4.030996626e+00 -4.030996626e+00 2.66 -4.026206924e+00 -4.026206924e+00 2.68 -4.016082770e+00 -4.016082770e+00 2.70 -4.000723102e+00 -4.000723102e+00 2.72 -3.980289157e+00 -3.980289157e+00 2.74 -3.954998437e+00 -3.954998437e+00 2.76 -3.925097611e+00 -3.925097611e+00 2.78 -3.890857657e+00 -3.890857657e+00 2.80 -3.852561186e+00 -3.852561186e+00 2.82 -3.810505429e+00 -3.810505429e+00 2.84 -3.764984689e+00 -3.764984689e+00 2.86 -3.716268475e+00 -3.716268475e+00 2.88 -3.664605281e+00 -3.664605281e+00 2.90 -3.610229914e+00 -3.610229914e+00 2.92 -3.553371481e+00 -3.553371481e+00 2.94 -3.494260660e+00 -3.494260660e+00 2.96 -3.433135558e+00 -3.433135558e+00 2.98 -3.370245776e+00 -3.370245776e+00 3.00 -3.305854326e+00 -3.305854326e+00 3.02 -3.240236932e+00 -3.240236932e+00 3.04 -3.173678232e+00 -3.173678232e+00 3.06 -3.106464836e+00 -3.106464836e+00 3.08 -3.038875800e+00 -3.038875800e+00 3.10 -2.971172000e+00 -2.971172000e+00 3.12 -2.903586292e+00 -2.903586292e+00 3.14 -2.836316360e+00 -2.836316360e+00 3.16 -2.769521354e+00 -2.769521354e+00 3.18 -2.703322523e+00 -2.703322523e+00 3.20 -2.637807040e+00 -2.637807040e+00 3.22 -2.573033835e+00 -2.573033835e+00 3.24 -2.509040177e+00 -2.509040177e+00 3.26 -2.445848037e+00 -2.445848037e+00 3.28 -2.383469664e+00 -2.383469664e+00 3.30 -2.321912099e+00 -2.321912099e+00 3.32 -2.261180601e+00 -2.261180601e+00 3.34 -2.201281016e+00 -2.201281016e+00 3.36 -2.142221225e+00 -2.142221225e+00 3.38 -2.084011754e+00 -2.084011754e+00 3.40 -2.026665707e+00 -2.026665707e+00 3.42 -1.970198160e+00 -1.970198160e+00 3.44 -1.914625199e+00 -1.914625199e+00 3.46 -1.859962781e+00 -1.859962781e+00 3.48 -1.806225584e+00 -1.806225584e+00 3.50 -1.753425999e+00 -1.753425999e+00 3.52 -1.701573365e+00 -1.701573365e+00 3.54 -1.650673484e+00 -1.650673484e+00 3.56 -1.600728449e+00 -1.600728449e+00 3.58 -1.551736742e+00 -1.551736742e+00 3.60 -1.503693574e+00 -1.503693574e+00 3.62 -1.456591429e+00 -1.456591429e+00 3.64 -1.410420785e+00 -1.410420785e+00 3.66 -1.365171008e+00 -1.365171008e+00 3.68 -1.320831404e+00 -1.320831404e+00 3.70 -1.277392434e+00 -1.277392434e+00 3.72 -1.234847031e+00 -1.234847031e+00 3.74 -1.193191951e+00 -1.193191951e+00 3.76 -1.152429000e+00 -1.152429000e+00 3.78 -1.112565944e+00 -1.112565944e+00 3.80 -1.073616870e+00 -1.073616870e+00 3.82 -1.035601803e+00 -1.035601803e+00 3.84 -9.985454247e-01 -9.985454247e-01 3.86 -9.624749116e-01 -9.624749116e-01 3.88 -9.274170455e-01 -9.274170455e-01 3.90 -8.933949380e-01 -8.933949380e-01 3.92 -8.604248021e-01 -8.604248021e-01 3.94 -8.285132322e-01 -8.285132322e-01 3.96 -7.976553575e-01 -7.976553575e-01 3.98 -7.678340903e-01 -7.678340903e-01 4.00 -7.390204735e-01 -7.390204735e-01 4.02 -7.111749744e-01 -7.111749744e-01 4.04 -6.842494547e-01 -6.842494547e-01 4.06 -6.581895157e-01 -6.581895157e-01 4.08 -6.329369436e-01 -6.329369436e-01 4.10 -6.084320552e-01 -6.084320552e-01 4.12 -5.846158300e-01 -5.846158300e-01 4.14 -5.614317565e-01 -5.614317565e-01 4.16 -5.388274271e-01 -5.388274271e-01 4.18 -5.167558755e-01 -5.167558755e-01 4.20 -4.951766936e-01 -4.951766936e-01 4.22 -4.740569389e-01 -4.740569389e-01 4.24 -4.533718269e-01 -4.533718269e-01 4.26 -4.331051900e-01 -4.331051900e-01 4.28 -4.132496750e-01 -4.132496750e-01 4.30 -3.938066548e-01 -3.938066548e-01 4.32 -3.747858377e-01 -3.747858377e-01 4.34 -3.562045714e-01 -3.562045714e-01 4.36 -3.380868529e-01 -3.380868529e-01 4.38 -3.204620609e-01 -3.204620609e-01 4.40 -3.033634327e-01 -3.033634327e-01 4.42 -2.868263109e-01 -2.868263109e-01 4.44 -2.708862007e-01 -2.708862007e-01 4.46 -2.555766983e-01 -2.555766983e-01 4.48 -2.409273901e-01 -2.409273901e-01 4.50 -2.269618564e-01 -2.269618564e-01 4.52 -2.136959417e-01 -2.136959417e-01 4.54 -2.011364509e-01 -2.011364509e-01 4.56 -1.892804045e-01 -1.892804045e-01 4.58 -1.781149256e-01 -1.781149256e-01 4.60 -1.676177587e-01 -1.676177587e-01 4.62 -1.577583444e-01 -1.577583444e-01 4.64 -1.484993227e-01 -1.484993227e-01 4.66 -1.397983013e-01 -1.397983013e-01 4.68 -1.316097235e-01 -1.316097235e-01 4.70 -1.238867015e-01 -1.238867015e-01 4.72 -1.165827005e-01 -1.165827005e-01 4.74 -1.096527260e-01 -1.096527260e-01 4.76 -1.030548983e-01 -1.030548983e-01 4.78 -9.675199550e-02 -9.675199550e-02 4.80 -9.071129956e-02 -9.071129956e-02 4.82 -8.490518888e-02 -8.490518888e-02 4.84 -7.931149061e-02 -7.931149061e-02 4.86 -7.391361486e-02 -7.391361486e-02 4.88 -6.870047126e-02 -6.870047126e-02 4.90 -6.366618369e-02 -6.366618369e-02 4.92 -5.880960898e-02 -5.880960898e-02 4.94 -5.413367129e-02 -5.413367129e-02 4.96 -4.964453334e-02 -4.964453334e-02 4.98 -4.535064034e-02 -4.535064034e-02 5.00 -4.126168705e-02 -4.126168705e-02 5.02 -3.738757119e-02 -3.738757119e-02 5.04 -3.373740266e-02 -3.373740266e-02 5.06 -3.031863610e-02 -3.031863610e-02 5.08 -2.713638376e-02 -2.713638376e-02 5.10 -2.419294735e-02 -2.419294735e-02 5.12 -2.148758256e-02 -2.148758256e-02 5.14 -1.901649035e-02 -1.901649035e-02 5.16 -1.677300713e-02 -1.677300713e-02 5.18 -1.474794844e-02 -1.474794844e-02 5.20 -1.293003127e-02 -1.293003127e-02 5.22 -1.130610114e-02 -1.130610114e-02 5.24 -9.862411827e-03 -9.862411827e-03 5.26 -8.584699238e-03 -8.584699238e-03 5.28 -7.458457141e-03 -7.458457141e-03 5.30 -6.469333800e-03 -6.469333800e-03 5.32 -5.603444213e-03 -5.603444213e-03 5.34 -4.847600980e-03 -4.847600980e-03 5.36 -4.189471696e-03 -4.189471696e-03 5.38 -3.617673435e-03 -3.617673435e-03 5.40 -3.121815875e-03 -3.121815875e-03 5.42 -2.692504372e-03 -2.692504372e-03 5.44 -2.321313289e-03 -2.321313289e-03 5.46 -2.000738481e-03 -2.000738481e-03 5.48 -1.724136289e-03 -1.724136289e-03 5.50 -1.485654883e-03 -1.485654883e-03 5.52 -1.280162407e-03 -1.280162407e-03 5.54 -1.103175204e-03 -1.103175204e-03 5.56 -9.507884150e-04 -9.507884150e-04 5.58 -8.196104575e-04 -8.196104575e-04 5.60 -7.067022969e-04 -7.067022969e-04 5.62 -6.095219628e-04 -6.095219628e-04 5.64 -5.258744406e-04 -5.258744406e-04 5.66 -4.538668381e-04 -4.538668381e-04 5.68 -3.918685815e-04 -3.918685815e-04 5.70 -3.384762979e-04 -3.384762979e-04 5.72 -2.924829987e-04 -2.924829987e-04 5.74 -2.528511533e-04 -2.528511533e-04 5.76 -2.186892501e-04 -2.186892501e-04 5.78 -1.892314548e-04 -1.892314548e-04 5.80 -1.638200030e-04 -1.638200030e-04 5.82 -1.418899911e-04 -1.418899911e-04 5.84 -1.229562622e-04 -1.229562622e-04 5.86 -1.066021156e-04 -1.066021156e-04 5.88 -9.246959676e-05 -9.246959676e-05 5.90 -8.025115599e-05 -8.025115599e-05 5.92 -6.968248669e-05 -6.968248669e-05 5.94 -6.053638138e-05 -6.053638138e-05 5.96 -5.261746240e-05 -5.261746240e-05 5.98 -4.575766467e-05 -4.575766467e-05 6.00 -3.981236362e-05 -3.981236362e-05