# 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 = Co2MgPd # 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 2.450816013e+02 2.450816013e+02 1.30 2.261155809e+02 2.261155809e+02 1.32 2.086098650e+02 2.086098650e+02 1.34 1.924461751e+02 1.924461751e+02 1.36 1.775160791e+02 1.775160791e+02 1.38 1.637192014e+02 1.637192014e+02 1.40 1.509627169e+02 1.509627169e+02 1.42 1.391617148e+02 1.391617148e+02 1.44 1.282394397e+02 1.282394397e+02 1.46 1.181269335e+02 1.181269335e+02 1.48 1.087621258e+02 1.087621258e+02 1.50 1.000885881e+02 1.000885881e+02 1.52 9.205431344e+01 9.205431344e+01 1.54 8.461091661e+01 8.461091661e+01 1.56 7.771331838e+01 7.771331838e+01 1.58 7.131968341e+01 7.131968341e+01 1.60 6.539138479e+01 6.539138479e+01 1.62 5.989684201e+01 5.989684201e+01 1.64 5.482023086e+01 5.482023086e+01 1.66 5.013176108e+01 5.013176108e+01 1.68 4.580223604e+01 4.580223604e+01 1.70 4.180482043e+01 4.180482043e+01 1.72 3.811467663e+01 3.811467663e+01 1.74 3.470869342e+01 3.470869342e+01 1.76 3.156533823e+01 3.156533823e+01 1.78 2.866463246e+01 2.866463246e+01 1.80 2.598816308e+01 2.598816308e+01 1.82 2.351902231e+01 2.351902231e+01 1.84 2.124164275e+01 2.124164275e+01 1.86 1.914161058e+01 1.914161058e+01 1.88 1.720553263e+01 1.720553263e+01 1.90 1.542097655e+01 1.542097655e+01 1.92 1.377644187e+01 1.377644187e+01 1.94 1.226133260e+01 1.226133260e+01 1.96 1.086591483e+01 1.086591483e+01 1.98 9.581259322e+00 9.581259322e+00 2.00 8.399170347e+00 8.399170347e+00 2.02 7.312109813e+00 7.312109813e+00 2.04 6.313124523e+00 6.313124523e+00 2.06 5.395776292e+00 5.395776292e+00 2.08 4.554077857e+00 4.554077857e+00 2.10 3.782441954e+00 3.782441954e+00 2.12 3.075649369e+00 3.075649369e+00 2.14 2.428832731e+00 2.428832731e+00 2.16 1.837471362e+00 1.837471362e+00 2.18 1.297388417e+00 1.297388417e+00 2.20 8.047449439e-01 8.047449439e-01 2.22 3.560238315e-01 3.560238315e-01 2.24 -5.199460214e-02 -5.199460214e-02 2.26 -4.222625124e-01 -4.222625124e-01 2.28 -7.574962822e-01 -7.574962822e-01 2.30 -1.060206312e+00 -1.060206312e+00 2.32 -1.332727209e+00 -1.332727209e+00 2.34 -1.577242561e+00 -1.577242561e+00 2.36 -1.795807770e+00 -1.795807770e+00 2.38 -1.990366308e+00 -1.990366308e+00 2.40 -2.162789947e+00 -2.162789947e+00 2.42 -2.314905461e+00 -2.314905461e+00 2.44 -2.448278080e+00 -2.448278080e+00 2.46 -2.564403087e+00 -2.564403087e+00 2.48 -2.664726354e+00 -2.664726354e+00 2.50 -2.750647072e+00 -2.750647072e+00 2.52 -2.823835751e+00 -2.823835751e+00 2.54 -2.885538073e+00 -2.885538073e+00 2.56 -2.936654236e+00 -2.936654236e+00 2.58 -2.977928308e+00 -2.977928308e+00 2.60 -3.010081184e+00 -3.010081184e+00 2.62 -3.033813177e+00 -3.033813177e+00 2.64 -3.049781346e+00 -3.049781346e+00 2.66 -3.058590581e+00 -3.058590581e+00 2.68 -3.060823633e+00 -3.060823633e+00 2.70 -3.057000248e+00 -3.057000248e+00 2.72 -3.047574702e+00 -3.047574702e+00 2.74 -3.032955194e+00 -3.032955194e+00 2.76 -3.013520019e+00 -3.013520019e+00 2.78 -2.989628848e+00 -2.989628848e+00 2.80 -2.961630446e+00 -2.961630446e+00 2.82 -2.929866494e+00 -2.929866494e+00 2.84 -2.894675488e+00 -2.894675488e+00 2.86 -2.856395182e+00 -2.856395182e+00 2.88 -2.815364355e+00 -2.815364355e+00 2.90 -2.771923182e+00 -2.771923182e+00 2.92 -2.726411764e+00 -2.726411764e+00 2.94 -2.679166829e+00 -2.679166829e+00 2.96 -2.630517287e+00 -2.630517287e+00 2.98 -2.580779642e+00 -2.580779642e+00 3.00 -2.530253961e+00 -2.530253961e+00 3.02 -2.479220370e+00 -2.479220370e+00 3.04 -2.427935148e+00 -2.427935148e+00 3.06 -2.376627153e+00 -2.376627153e+00 3.08 -2.325491508e+00 -2.325491508e+00 3.10 -2.274700245e+00 -2.274700245e+00 3.12 -2.224375814e+00 -2.224375814e+00 3.14 -2.174583175e+00 -2.174583175e+00 3.16 -2.125361268e+00 -2.125361268e+00 3.18 -2.076730897e+00 -2.076730897e+00 3.20 -2.028701807e+00 -2.028701807e+00 3.22 -1.981279124e+00 -1.981279124e+00 3.24 -1.934468170e+00 -1.934468170e+00 3.26 -1.888269979e+00 -1.888269979e+00 3.28 -1.842664985e+00 -1.842664985e+00 3.30 -1.797639844e+00 -1.797639844e+00 3.32 -1.753192851e+00 -1.753192851e+00 3.34 -1.709331133e+00 -1.709331133e+00 3.36 -1.666067816e+00 -1.666067816e+00 3.38 -1.623419472e+00 -1.623419472e+00 3.40 -1.581404041e+00 -1.581404041e+00 3.42 -1.540039544e+00 -1.540039544e+00 3.44 -1.499342875e+00 -1.499342875e+00 3.46 -1.459329432e+00 -1.459329432e+00 3.48 -1.420012705e+00 -1.420012705e+00 3.50 -1.381404026e+00 -1.381404026e+00 3.52 -1.343512348e+00 -1.343512348e+00 3.54 -1.306344039e+00 -1.306344039e+00 3.56 -1.269902695e+00 -1.269902695e+00 3.58 -1.234189016e+00 -1.234189016e+00 3.60 -1.199200746e+00 -1.199200746e+00 3.62 -1.164932727e+00 -1.164932727e+00 3.64 -1.131377063e+00 -1.131377063e+00 3.66 -1.098523416e+00 -1.098523416e+00 3.68 -1.066359418e+00 -1.066359418e+00 3.70 -1.034871174e+00 -1.034871174e+00 3.72 -1.004043835e+00 -1.004043835e+00 3.74 -9.738621767e-01 -9.738621767e-01 3.76 -9.443111480e-01 -9.443111480e-01 3.78 -9.153763274e-01 -9.153763274e-01 3.80 -8.870442502e-01 -8.870442502e-01 3.82 -8.593025743e-01 -8.593025743e-01 3.84 -8.321400771e-01 -8.321400771e-01 3.86 -8.055464976e-01 -8.055464976e-01 3.88 -7.795122673e-01 -7.795122673e-01 3.90 -7.540281978e-01 -7.540281978e-01 3.92 -7.290851168e-01 -7.290851168e-01 3.94 -7.046741061e-01 -7.046741061e-01 3.96 -6.807859293e-01 -6.807859293e-01 3.98 -6.574117252e-01 -6.574117252e-01 4.00 -6.345433495e-01 -6.345433495e-01 4.02 -6.121739717e-01 -6.121739717e-01 4.04 -5.902987164e-01 -5.902987164e-01 4.06 -5.689152356e-01 -5.689152356e-01 4.08 -5.480241089e-01 -5.480241089e-01 4.10 -5.276287271e-01 -5.276287271e-01 4.12 -5.077362405e-01 -5.077362405e-01 4.14 -4.883553834e-01 -4.883553834e-01 4.16 -4.694970377e-01 -4.694970377e-01 4.18 -4.511731005e-01 -4.511731005e-01 4.20 -4.333956364e-01 -4.333956364e-01 4.22 -4.161760645e-01 -4.161760645e-01 4.24 -3.995244147e-01 -3.995244147e-01 4.26 -3.834486473e-01 -3.834486473e-01 4.28 -3.679540040e-01 -3.679540040e-01 4.30 -3.530423657e-01 -3.530423657e-01 4.32 -3.387116238e-01 -3.387116238e-01 4.34 -3.249551210e-01 -3.249551210e-01 4.36 -3.117612520e-01 -3.117612520e-01 4.38 -2.991133204e-01 -2.991133204e-01 4.40 -2.869897185e-01 -2.869897185e-01 4.42 -2.753644428e-01 -2.753644428e-01 4.44 -2.642078987e-01 -2.642078987e-01 4.46 -2.534879030e-01 -2.534879030e-01 4.48 -2.431707744e-01 -2.431707744e-01 4.50 -2.332224113e-01 -2.332224113e-01 4.52 -2.236092785e-01 -2.236092785e-01 4.54 -2.142992596e-01 -2.142992596e-01 4.56 -2.052623596e-01 -2.052623596e-01 4.58 -1.964712623e-01 -1.964712623e-01 4.60 -1.879017587e-01 -1.879017587e-01 4.62 -1.795330637e-01 -1.795330637e-01 4.64 -1.713480337e-01 -1.713480337e-01 4.66 -1.633332911e-01 -1.633332911e-01 4.68 -1.554792557e-01 -1.554792557e-01 4.70 -1.477800809e-01 -1.477800809e-01 4.72 -1.402334917e-01 -1.402334917e-01 4.74 -1.328405308e-01 -1.328405308e-01 4.76 -1.256052255e-01 -1.256052255e-01 4.78 -1.185341989e-01 -1.185341989e-01 4.80 -1.116360547e-01 -1.116360547e-01 4.82 -1.049217953e-01 -1.049217953e-01 4.84 -9.840312446e-02 -9.840312446e-02 4.86 -9.209299870e-02 -9.209299870e-02 4.88 -8.600503731e-02 -8.600503731e-02 4.90 -8.015315949e-02 -8.015315949e-02 4.92 -7.455117217e-02 -7.455117217e-02 4.94 -6.921227998e-02 -6.921227998e-02 4.96 -6.414851025e-02 -6.414851025e-02 4.98 -5.937006219e-02 -5.937006219e-02 5.00 -5.488464890e-02 -5.488464890e-02 5.02 -5.069690769e-02 -5.069690769e-02 5.04 -4.680794229e-02 -4.680794229e-02 5.06 -4.321507548e-02 -4.321507548e-02 5.08 -3.991135277e-02 -3.991135277e-02 5.10 -3.688640339e-02 -3.688640339e-02 5.12 -3.412772636e-02 -3.412772636e-02 5.14 -3.162009216e-02 -3.162009216e-02 5.16 -2.934629042e-02 -2.934629042e-02 5.18 -2.728785266e-02 -2.728785266e-02 5.20 -2.542585986e-02 -2.542585986e-02 5.22 -2.374155726e-02 -2.374155726e-02 5.24 -2.221679559e-02 -2.221679559e-02 5.26 -2.083440564e-02 -2.083440564e-02 5.28 -1.957845322e-02 -1.957845322e-02 5.30 -1.843439001e-02 -1.843439001e-02 5.32 -1.738911915e-02 -1.738911915e-02 5.34 -1.643099462e-02 -1.643099462e-02 5.36 -1.554977180e-02 -1.554977180e-02 5.38 -1.473650245e-02 -1.473650245e-02 5.40 -1.398345570e-02 -1.398345570e-02 5.42 -1.328401919e-02 -1.328401919e-02 5.44 -1.263254598e-02 -1.263254598e-02 5.46 -1.202422831e-02 -1.202422831e-02 5.48 -1.145497428e-02 -1.145497428e-02 5.50 -1.092129094e-02 -1.092129094e-02 5.52 -1.042017645e-02 -1.042017645e-02 5.54 -9.949023752e-03 -9.949023752e-03 5.56 -9.505537438e-03 -9.505537438e-03 5.58 -9.087664578e-03 -9.087664578e-03 5.60 -8.693539733e-03 -8.693539733e-03 5.62 -8.321443304e-03 -8.321443304e-03 5.64 -7.969771765e-03 -7.969771765e-03 5.66 -7.637017783e-03 -7.637017783e-03 5.68 -7.321758029e-03 -7.321758029e-03 5.70 -7.022646472e-03 -7.022646472e-03 5.72 -6.738411177e-03 -6.738411177e-03 5.74 -6.467853009e-03 -6.467853009e-03 5.76 -6.209845026e-03 -6.209845026e-03 5.78 -5.963331790e-03 -5.963331790e-03 5.80 -5.727328133e-03 -5.727328133e-03 5.82 -5.500917252e-03 -5.500917252e-03 5.84 -5.283248140e-03 -5.283248140e-03 5.86 -5.073532538e-03 -5.073532538e-03 5.88 -4.871041635e-03 -4.871041635e-03 5.90 -4.675102751e-03 -4.675102751e-03 5.92 -4.485096264e-03 -4.485096264e-03 5.94 -4.300452988e-03 -4.300452988e-03 5.96 -4.120652176e-03 -4.120652176e-03 5.98 -3.945220289e-03 -3.945220289e-03 6.00 -3.773730614e-03 -3.773730614e-03