# 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 = CuMgTa2 # 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 3.521722702e+02 3.521722702e+02 1.30 3.263614527e+02 3.263614527e+02 1.32 3.024656199e+02 3.024656199e+02 1.34 2.803297996e+02 2.803297996e+02 1.36 2.598155593e+02 2.598155593e+02 1.38 2.407982859e+02 2.407982859e+02 1.40 2.231648631e+02 2.231648631e+02 1.42 2.068119897e+02 2.068119897e+02 1.44 1.916445359e+02 1.916445359e+02 1.46 1.775737271e+02 1.775737271e+02 1.48 1.645155402e+02 1.645155402e+02 1.50 1.523898451e+02 1.523898451e+02 1.52 1.411205722e+02 1.411205722e+02 1.54 1.306367415e+02 1.306367415e+02 1.56 1.208738032e+02 1.208738032e+02 1.58 1.117745952e+02 1.117745952e+02 1.60 1.032894611e+02 1.032894611e+02 1.62 9.537550217e+01 9.537550217e+01 1.64 8.799528381e+01 8.799528381e+01 1.66 8.111541711e+01 8.111541711e+01 1.68 7.470534716e+01 7.470534716e+01 1.70 6.873648301e+01 6.873648301e+01 1.72 6.318164820e+01 6.318164820e+01 1.74 5.801479828e+01 5.801479828e+01 1.76 5.321094237e+01 5.321094237e+01 1.78 4.874680516e+01 4.874680516e+01 1.80 4.460731623e+01 4.460731623e+01 1.82 4.077267747e+01 4.077267747e+01 1.84 3.722199013e+01 3.722199013e+01 1.86 3.393569110e+01 3.393569110e+01 1.88 3.089540234e+01 3.089540234e+01 1.90 2.808360381e+01 2.808360381e+01 1.92 2.548380899e+01 2.548380899e+01 1.94 2.308022707e+01 2.308022707e+01 1.96 2.085762889e+01 2.085762889e+01 1.98 1.880137475e+01 1.880137475e+01 2.00 1.689756483e+01 1.689756483e+01 2.02 1.513327403e+01 1.513327403e+01 2.04 1.349679902e+01 1.349679902e+01 2.06 1.197783035e+01 1.197783035e+01 2.08 1.056748557e+01 1.056748557e+01 2.10 9.258194654e+00 9.258194654e+00 2.12 8.043479438e+00 8.043479438e+00 2.14 6.917694141e+00 6.917694141e+00 2.16 5.875783856e+00 5.875783856e+00 2.18 4.913090216e+00 4.913090216e+00 2.20 4.025211391e+00 4.025211391e+00 2.22 3.207905651e+00 3.207905651e+00 2.24 2.457027284e+00 2.457027284e+00 2.26 1.768481861e+00 1.768481861e+00 2.28 1.138192182e+00 1.138192182e+00 2.30 5.620778549e-01 5.620778549e-01 2.32 3.605256956e-02 3.605256956e-02 2.34 -4.439443870e-01 -4.439443870e-01 2.36 -8.818836261e-01 -8.818836261e-01 2.38 -1.281555799e+00 -1.281555799e+00 2.40 -1.646479506e+00 -1.646479506e+00 2.42 -1.979830467e+00 -1.979830467e+00 2.44 -2.284342447e+00 -2.284342447e+00 2.46 -2.562240901e+00 -2.562240901e+00 2.48 -2.815877348e+00 -2.815877348e+00 2.50 -3.047284901e+00 -3.047284901e+00 2.52 -3.258185985e+00 -3.258185985e+00 2.54 -3.450066130e+00 -3.450066130e+00 2.56 -3.624235423e+00 -3.624235423e+00 2.58 -3.781870187e+00 -3.781870187e+00 2.60 -3.923814989e+00 -3.923814989e+00 2.62 -4.050607591e+00 -4.050607591e+00 2.64 -4.162850434e+00 -4.162850434e+00 2.66 -4.261208629e+00 -4.261208629e+00 2.68 -4.346386572e+00 -4.346386572e+00 2.70 -4.419106770e+00 -4.419106770e+00 2.72 -4.480090383e+00 -4.480090383e+00 2.74 -4.530038913e+00 -4.530038913e+00 2.76 -4.569618086e+00 -4.569618086e+00 2.78 -4.599445678e+00 -4.599445678e+00 2.80 -4.620085737e+00 -4.620085737e+00 2.82 -4.632047943e+00 -4.632047943e+00 2.84 -4.635793874e+00 -4.635793874e+00 2.86 -4.631746062e+00 -4.631746062e+00 2.88 -4.620298331e+00 -4.620298331e+00 2.90 -4.601825151e+00 -4.601825151e+00 2.92 -4.576688582e+00 -4.576688582e+00 2.94 -4.545251603e+00 -4.545251603e+00 2.96 -4.508025740e+00 -4.508025740e+00 2.98 -4.465281854e+00 -4.465281854e+00 3.00 -4.417201477e+00 -4.417201477e+00 3.02 -4.363977222e+00 -4.363977222e+00 3.04 -4.305805475e+00 -4.305805475e+00 3.06 -4.242881888e+00 -4.242881888e+00 3.08 -4.175398444e+00 -4.175398444e+00 3.10 -4.103545054e+00 -4.103545054e+00 3.12 -4.027513429e+00 -4.027513429e+00 3.14 -3.947510318e+00 -3.947510318e+00 3.16 -3.863775401e+00 -3.863775401e+00 3.18 -3.776579787e+00 -3.776579787e+00 3.20 -3.686234134e+00 -3.686234134e+00 3.22 -3.593099685e+00 -3.593099685e+00 3.24 -3.497595985e+00 -3.497595985e+00 3.26 -3.400203331e+00 -3.400203331e+00 3.28 -3.301458368e+00 -3.301458368e+00 3.30 -3.201941979e+00 -3.201941979e+00 3.32 -3.102259794e+00 -3.102259794e+00 3.34 -3.003016962e+00 -3.003016962e+00 3.36 -2.904789989e+00 -2.904789989e+00 3.38 -2.808099145e+00 -2.808099145e+00 3.40 -2.713384811e+00 -2.713384811e+00 3.42 -2.620990634e+00 -2.620990634e+00 3.44 -2.531154464e+00 -2.531154464e+00 3.46 -2.444007920e+00 -2.444007920e+00 3.48 -2.359583071e+00 -2.359583071e+00 3.50 -2.277824801e+00 -2.277824801e+00 3.52 -2.198606815e+00 -2.198606815e+00 3.54 -2.121749413e+00 -2.121749413e+00 3.56 -2.047038202e+00 -2.047038202e+00 3.58 -1.974265055e+00 -1.974265055e+00 3.60 -1.903176581e+00 -1.903176581e+00 3.62 -1.833509441e+00 -1.833509441e+00 3.64 -1.765024771e+00 -1.765024771e+00 3.66 -1.697518002e+00 -1.697518002e+00 3.68 -1.630825014e+00 -1.630825014e+00 3.70 -1.564756328e+00 -1.564756328e+00 3.72 -1.499085315e+00 -1.499085315e+00 3.74 -1.433648614e+00 -1.433648614e+00 3.76 -1.368359102e+00 -1.368359102e+00 3.78 -1.303210608e+00 -1.303210608e+00 3.80 -1.238279575e+00 -1.238279575e+00 3.82 -1.173722504e+00 -1.173722504e+00 3.84 -1.109768376e+00 -1.109768376e+00 3.86 -1.046705731e+00 -1.046705731e+00 3.88 -9.848649332e-01 -9.848649332e-01 3.90 -9.245969133e-01 -9.245969133e-01 3.92 -8.662502953e-01 -8.662502953e-01 3.94 -8.101497748e-01 -8.101497748e-01 3.96 -7.565765269e-01 -7.565765269e-01 3.98 -7.057543569e-01 -7.057543569e-01 4.00 -6.578409759e-01 -6.578409759e-01 4.02 -6.129251536e-01 -6.129251536e-01 4.04 -5.710290067e-01 -5.710290067e-01 4.06 -5.321143093e-01 -5.321143093e-01 4.08 -4.960914961e-01 -4.960914961e-01 4.10 -4.628296745e-01 -4.628296745e-01 4.12 -4.321689116e-01 -4.321689116e-01 4.14 -4.039278210e-01 -4.039278210e-01 4.16 -3.779144131e-01 -3.779144131e-01 4.18 -3.539333062e-01 -3.539333062e-01 4.20 -3.317919877e-01 -3.317919877e-01 4.22 -3.113057088e-01 -3.113057088e-01 4.24 -2.923011609e-01 -2.923011609e-01 4.26 -2.746191112e-01 -2.746191112e-01 4.28 -2.581161688e-01 -2.581161688e-01 4.30 -2.426658300e-01 -2.426658300e-01 4.32 -2.281589072e-01 -2.281589072e-01 4.34 -2.145034098e-01 -2.145034098e-01 4.36 -2.016239174e-01 -2.016239174e-01 4.38 -1.894604329e-01 -1.894604329e-01 4.40 -1.779667879e-01 -1.779667879e-01 4.42 -1.671086334e-01 -1.671086334e-01 4.44 -1.568610121e-01 -1.568610121e-01 4.46 -1.472050063e-01 -1.472050063e-01 4.48 -1.381274113e-01 -1.381274113e-01 4.50 -1.296170042e-01 -1.296170042e-01 4.52 -1.216620315e-01 -1.216620315e-01 4.54 -1.142487536e-01 -1.142487536e-01 4.56 -1.073604771e-01 -1.073604771e-01 4.58 -1.009771092e-01 -1.009771092e-01 4.60 -9.507519054e-02 -9.507519054e-02 4.62 -8.962831277e-02 -8.962831277e-02 4.64 -8.460779785e-02 -8.460779785e-02 4.66 -7.998351368e-02 -7.998351368e-02 4.68 -7.572471506e-02 -7.572471506e-02 4.70 -7.180082519e-02 -7.180082519e-02 4.72 -6.818210253e-02 -6.818210253e-02 4.74 -6.484016509e-02 -6.484016509e-02 4.76 -6.174836642e-02 -6.174836642e-02 4.78 -5.888203388e-02 -5.888203388e-02 4.80 -5.621837921e-02 -5.621837921e-02 4.82 -5.373738095e-02 -5.373738095e-02 4.84 -5.142038144e-02 -5.142038144e-02 4.86 -4.925093063e-02 -4.925093063e-02 4.88 -4.721438206e-02 -4.721438206e-02 4.90 -4.529778120e-02 -4.529778120e-02 4.92 -4.348968799e-02 -4.348968799e-02 4.94 -4.178000969e-02 -4.178000969e-02 4.96 -4.015984777e-02 -4.015984777e-02 4.98 -3.862135494e-02 -3.862135494e-02 5.00 -3.715760529e-02 -3.715760529e-02 5.02 -3.576247563e-02 -3.576247563e-02 5.04 -3.443054043e-02 -3.443054043e-02 5.06 -3.315697954e-02 -3.315697954e-02 5.08 -3.193749768e-02 -3.193749768e-02 5.10 -3.076825491e-02 -3.076825491e-02 5.12 -2.964580719e-02 -2.964580719e-02 5.14 -2.856705593e-02 -2.856705593e-02 5.16 -2.752920581e-02 -2.752920581e-02 5.18 -2.652972997e-02 -2.652972997e-02 5.20 -2.556634169e-02 -2.556634169e-02 5.22 -2.463697203e-02 -2.463697203e-02 5.24 -2.373975244e-02 -2.373975244e-02 5.26 -2.287300171e-02 -2.287300171e-02 5.28 -2.203521636e-02 -2.203521636e-02 5.30 -2.122506349e-02 -2.122506349e-02 5.32 -2.044137505e-02 -2.044137505e-02 5.34 -1.968314224e-02 -1.968314224e-02 5.36 -1.894948133e-02 -1.894948133e-02 5.38 -1.823966463e-02 -1.823966463e-02 5.40 -1.755312072e-02 -1.755312072e-02 5.42 -1.688939226e-02 -1.688939226e-02 5.44 -1.624811542e-02 -1.624811542e-02 5.46 -1.562899529e-02 -1.562899529e-02 5.48 -1.503177810e-02 -1.503177810e-02 5.50 -1.445622216e-02 -1.445622216e-02 5.52 -1.390206927e-02 -1.390206927e-02 5.54 -1.336901894e-02 -1.336901894e-02 5.56 -1.285670736e-02 -1.285670736e-02 5.58 -1.236469272e-02 -1.236469272e-02 5.60 -1.189244743e-02 -1.189244743e-02 5.62 -1.143935742e-02 -1.143935742e-02 5.64 -1.100472772e-02 -1.100472772e-02 5.66 -1.058779287e-02 -1.058779287e-02 5.68 -1.018773079e-02 -1.018773079e-02 5.70 -9.803678225e-03 -9.803678225e-03 5.72 -9.434746500e-03 -9.434746500e-03 5.74 -9.080036222e-03 -9.080036222e-03 5.76 -8.738650273e-03 -8.738650273e-03 5.78 -8.409704575e-03 -8.409704575e-03 5.80 -8.092336550e-03 -8.092336550e-03 5.82 -7.785711385e-03 -7.785711385e-03 5.84 -7.489026396e-03 -7.489026396e-03 5.86 -7.201513904e-03 -7.201513904e-03 5.88 -6.922443016e-03 -6.922443016e-03 5.90 -6.651120772e-03 -6.651120772e-03 5.92 -6.386893027e-03 -6.386893027e-03 5.94 -6.129145441e-03 -6.129145441e-03 5.96 -5.877304849e-03 -5.877304849e-03 5.98 -5.630841251e-03 -5.630841251e-03 6.00 -5.389270586e-03 -5.389270586e-03