# 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 = FeMgZr2 # 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 3.829353185e+02 3.829353185e+02 1.30 3.547597081e+02 3.547597081e+02 1.32 3.286890087e+02 3.286890087e+02 1.34 3.045516493e+02 3.045516493e+02 1.36 2.821928530e+02 2.821928530e+02 1.38 2.614731728e+02 2.614731728e+02 1.40 2.422666319e+02 2.422666319e+02 1.42 2.244581399e+02 2.244581399e+02 1.44 2.079414208e+02 2.079414208e+02 1.46 1.926186514e+02 1.926186514e+02 1.48 1.784009646e+02 1.784009646e+02 1.50 1.652079270e+02 1.652079270e+02 1.52 1.529657428e+02 1.529657428e+02 1.54 1.416053952e+02 1.416053952e+02 1.56 1.310618270e+02 1.310618270e+02 1.58 1.212742467e+02 1.212742467e+02 1.60 1.121865268e+02 1.121865268e+02 1.62 1.037470351e+02 1.037470351e+02 1.64 9.590803673e+01 9.590803673e+01 1.66 8.862515940e+01 8.862515940e+01 1.68 8.185713305e+01 8.185713305e+01 1.70 7.556587327e+01 7.556587327e+01 1.72 6.971650537e+01 6.971650537e+01 1.74 6.427725247e+01 6.427725247e+01 1.76 5.921911259e+01 5.921911259e+01 1.78 5.451548285e+01 5.451548285e+01 1.80 5.014172387e+01 5.014172387e+01 1.82 4.607482238e+01 4.607482238e+01 1.84 4.229301269e+01 4.229301269e+01 1.86 3.877574370e+01 3.877574370e+01 1.88 3.550460728e+01 3.550460728e+01 1.90 3.246240413e+01 3.246240413e+01 1.92 2.963306040e+01 2.963306040e+01 1.94 2.700194460e+01 2.700194460e+01 1.96 2.455547399e+01 2.455547399e+01 1.98 2.228118816e+01 2.228118816e+01 2.00 2.016747150e+01 2.016747150e+01 2.02 1.820344400e+01 1.820344400e+01 2.04 1.637891455e+01 1.637891455e+01 2.06 1.468432889e+01 1.468432889e+01 2.08 1.311070421e+01 1.311070421e+01 2.10 1.164957937e+01 1.164957937e+01 2.12 1.029301824e+01 1.029301824e+01 2.14 9.033632023e+00 9.033632023e+00 2.16 7.864634740e+00 7.864634740e+00 2.18 6.779842360e+00 6.779842360e+00 2.20 5.773624754e+00 5.773624754e+00 2.22 4.840792424e+00 4.840792424e+00 2.24 3.976504820e+00 3.976504820e+00 2.26 3.176224230e+00 3.176224230e+00 2.28 2.435697083e+00 2.435697083e+00 2.30 1.750997865e+00 1.750997865e+00 2.32 1.118484555e+00 1.118484555e+00 2.34 5.348314102e-01 5.348314102e-01 2.36 -3.047759912e-03 -3.047759912e-03 2.38 -4.980378549e-01 -4.980378549e-01 2.40 -9.528688958e-01 -9.528688958e-01 2.42 -1.370163449e+00 -1.370163449e+00 2.44 -1.752458296e+00 -1.752458296e+00 2.46 -2.102226940e+00 -2.102226940e+00 2.48 -2.421874704e+00 -2.421874704e+00 2.50 -2.713718448e+00 -2.713718448e+00 2.52 -2.979954942e+00 -2.979954942e+00 2.54 -3.222626424e+00 -3.222626424e+00 2.56 -3.443592522e+00 -3.443592522e+00 2.58 -3.644516678e+00 -3.644516678e+00 2.60 -3.826871308e+00 -3.826871308e+00 2.62 -3.991954771e+00 -3.991954771e+00 2.64 -4.140997372e+00 -4.140997372e+00 2.66 -4.275117323e+00 -4.275117323e+00 2.68 -4.395149647e+00 -4.395149647e+00 2.70 -4.501885867e+00 -4.501885867e+00 2.72 -4.596086807e+00 -4.596086807e+00 2.74 -4.678480610e+00 -4.678480610e+00 2.76 -4.749758624e+00 -4.749758624e+00 2.78 -4.810568066e+00 -4.810568066e+00 2.80 -4.861485261e+00 -4.861485261e+00 2.82 -4.902794903e+00 -4.902794903e+00 2.84 -4.934710118e+00 -4.934710118e+00 2.86 -4.957486636e+00 -4.957486636e+00 2.88 -4.971419737e+00 -4.971419737e+00 2.90 -4.976841705e+00 -4.976841705e+00 2.92 -4.974118882e+00 -4.974118882e+00 2.94 -4.963647414e+00 -4.963647414e+00 2.96 -4.945847377e+00 -4.945847377e+00 2.98 -4.921155560e+00 -4.921155560e+00 3.00 -4.890017583e+00 -4.890017583e+00 3.02 -4.852880297e+00 -4.852880297e+00 3.04 -4.810180582e+00 -4.810180582e+00 3.06 -4.762361886e+00 -4.762361886e+00 3.08 -4.709839731e+00 -4.709839731e+00 3.10 -4.653026385e+00 -4.653026385e+00 3.12 -4.592324855e+00 -4.592324855e+00 3.14 -4.528149453e+00 -4.528149453e+00 3.16 -4.460898144e+00 -4.460898144e+00 3.18 -4.390978601e+00 -4.390978601e+00 3.20 -4.318804327e+00 -4.318804327e+00 3.22 -4.244793781e+00 -4.244793781e+00 3.24 -4.169368541e+00 -4.169368541e+00 3.26 -4.092950597e+00 -4.092950597e+00 3.28 -4.015958180e+00 -4.015958180e+00 3.30 -3.938799127e+00 -3.938799127e+00 3.32 -3.861841722e+00 -3.861841722e+00 3.34 -3.785361220e+00 -3.785361220e+00 3.36 -3.709591369e+00 -3.709591369e+00 3.38 -3.634729417e+00 -3.634729417e+00 3.40 -3.560926631e+00 -3.560926631e+00 3.42 -3.488294290e+00 -3.488294290e+00 3.44 -3.416893083e+00 -3.416893083e+00 3.46 -3.346748578e+00 -3.346748578e+00 3.48 -3.277856566e+00 -3.277856566e+00 3.50 -3.210191136e+00 -3.210191136e+00 3.52 -3.143711899e+00 -3.143711899e+00 3.54 -3.078369857e+00 -3.078369857e+00 3.56 -3.014111810e+00 -3.014111810e+00 3.58 -2.950883452e+00 -2.950883452e+00 3.60 -2.888631444e+00 -2.888631444e+00 3.62 -2.827304765e+00 -2.827304765e+00 3.64 -2.766855632e+00 -2.766855632e+00 3.66 -2.707240279e+00 -2.707240279e+00 3.68 -2.648419785e+00 -2.648419785e+00 3.70 -2.590361157e+00 -2.590361157e+00 3.72 -2.533038754e+00 -2.533038754e+00 3.74 -2.476436081e+00 -2.476436081e+00 3.76 -2.420551057e+00 -2.420551057e+00 3.78 -2.365402224e+00 -2.365402224e+00 3.80 -2.311004532e+00 -2.311004532e+00 3.82 -2.257388196e+00 -2.257388196e+00 3.84 -2.204599882e+00 -2.204599882e+00 3.86 -2.152699898e+00 -2.152699898e+00 3.88 -2.101757427e+00 -2.101757427e+00 3.90 -2.051844208e+00 -2.051844208e+00 3.92 -2.003023774e+00 -2.003023774e+00 3.94 -1.955360340e+00 -1.955360340e+00 3.96 -1.908889010e+00 -1.908889010e+00 3.98 -1.863626325e+00 -1.863626325e+00 4.00 -1.819558063e+00 -1.819558063e+00 4.02 -1.776652829e+00 -1.776652829e+00 4.04 -1.734867596e+00 -1.734867596e+00 4.06 -1.694151465e+00 -1.694151465e+00 4.08 -1.654449517e+00 -1.654449517e+00 4.10 -1.615699681e+00 -1.615699681e+00 4.12 -1.577862650e+00 -1.577862650e+00 4.14 -1.540880804e+00 -1.540880804e+00 4.16 -1.504709469e+00 -1.504709469e+00 4.18 -1.469309398e+00 -1.469309398e+00 4.20 -1.434646773e+00 -1.434646773e+00 4.22 -1.400692903e+00 -1.400692903e+00 4.24 -1.367423711e+00 -1.367423711e+00 4.26 -1.334819131e+00 -1.334819131e+00 4.28 -1.302862469e+00 -1.302862469e+00 4.30 -1.271539785e+00 -1.271539785e+00 4.32 -1.240839320e+00 -1.240839320e+00 4.34 -1.210750989e+00 -1.210750989e+00 4.36 -1.181265949e+00 -1.181265949e+00 4.38 -1.152376232e+00 -1.152376232e+00 4.40 -1.124074447e+00 -1.124074447e+00 4.42 -1.096353541e+00 -1.096353541e+00 4.44 -1.069206616e+00 -1.069206616e+00 4.46 -1.042626779e+00 -1.042626779e+00 4.48 -1.016607041e+00 -1.016607041e+00 4.50 -9.911402332e-01 -9.911402332e-01 4.52 -9.662189586e-01 -9.662189586e-01 4.54 -9.418355558e-01 -9.418355558e-01 4.56 -9.179820858e-01 -9.179820858e-01 4.58 -8.946503309e-01 -8.946503309e-01 4.60 -8.718318085e-01 -8.718318085e-01 4.62 -8.495177962e-01 -8.495177962e-01 4.64 -8.276993672e-01 -8.276993672e-01 4.66 -8.063674342e-01 -8.063674342e-01 4.68 -7.855127987e-01 -7.855127987e-01 4.70 -7.651262042e-01 -7.651262042e-01 4.72 -7.451983885e-01 -7.451983885e-01 4.74 -7.257201323e-01 -7.257201323e-01 4.76 -7.066823011e-01 -7.066823011e-01 4.78 -6.880758762e-01 -6.880758762e-01 4.80 -6.698856684e-01 -6.698856684e-01 4.82 -6.521166128e-01 -6.521166128e-01 4.84 -6.347525355e-01 -6.347525355e-01 4.86 -6.177849627e-01 -6.177849627e-01 4.88 -6.012054897e-01 -6.012054897e-01 4.90 -5.850057392e-01 -5.850057392e-01 4.92 -5.691773168e-01 -5.691773168e-01 4.94 -5.537117622e-01 -5.537117622e-01 4.96 -5.386005033e-01 -5.386005033e-01 4.98 -5.238348135e-01 -5.238348135e-01 5.00 -5.094057765e-01 -5.094057765e-01 5.02 -4.953042596e-01 -4.953042596e-01 5.04 -4.815208972e-01 -4.815208972e-01 5.06 -4.680460882e-01 -4.680460882e-01 5.08 -4.548700064e-01 -4.548700064e-01 5.10 -4.419826283e-01 -4.419826283e-01 5.12 -4.293737786e-01 -4.293737786e-01 5.14 -4.170331982e-01 -4.170331982e-01 5.16 -4.049506351e-01 -4.049506351e-01 5.18 -3.931159624e-01 -3.931159624e-01 5.20 -3.815193256e-01 -3.815193256e-01 5.22 -3.701513201e-01 -3.701513201e-01 5.24 -3.590031995e-01 -3.590031995e-01 5.26 -3.480671105e-01 -3.480671105e-01 5.28 -3.373363488e-01 -3.373363488e-01 5.30 -3.268056257e-01 -3.268056257e-01 5.32 -3.164713269e-01 -3.164713269e-01 5.34 -3.063317451e-01 -3.063317451e-01 5.36 -2.963872575e-01 -2.963872575e-01 5.38 -2.866404210e-01 -2.866404210e-01 5.40 -2.770959566e-01 -2.770959566e-01 5.42 -2.677605989e-01 -2.677605989e-01 5.44 -2.586427981e-01 -2.586427981e-01 5.46 -2.497522735e-01 -2.497522735e-01 5.48 -2.410994384e-01 -2.410994384e-01 5.50 -2.326947310e-01 -2.326947310e-01 5.52 -2.245479048e-01 -2.245479048e-01 5.54 -2.166673363e-01 -2.166673363e-01 5.56 -2.090594143e-01 -2.090594143e-01 5.58 -2.017280602e-01 -2.017280602e-01 5.60 -1.946744182e-01 -1.946744182e-01 5.62 -1.878967310e-01 -1.878967310e-01 5.64 -1.813903935e-01 -1.813903935e-01 5.66 -1.751481608e-01 -1.751481608e-01 5.68 -1.691604751e-01 -1.691604751e-01 5.70 -1.634158659e-01 -1.634158659e-01 5.72 -1.579012728e-01 -1.579012728e-01 5.74 -1.526026128e-01 -1.526026128e-01 5.76 -1.475053417e-01 -1.475053417e-01 5.78 -1.425945794e-01 -1.425945794e-01 5.80 -1.378554067e-01 -1.378554067e-01 5.82 -1.332731017e-01 -1.332731017e-01 5.84 -1.288333157e-01 -1.288333157e-01 5.86 -1.245221992e-01 -1.245221992e-01 5.88 -1.203264852e-01 -1.203264852e-01 5.90 -1.162335434e-01 -1.162335434e-01 5.92 -1.122314150e-01 -1.122314150e-01 5.94 -1.083088369e-01 -1.083088369e-01 5.96 -1.044552656e-01 -1.044552656e-01 5.98 -1.006609063e-01 -1.006609063e-01 6.00 -9.691675482e-02 -9.691675482e-02