# 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 = CoMoZr2 # 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 3.034918436e+02 3.034918436e+02 1.30 2.813986996e+02 2.813986996e+02 1.32 2.609415864e+02 2.609415864e+02 1.34 2.419855055e+02 2.419855055e+02 1.36 2.244071432e+02 2.244071432e+02 1.38 2.080947661e+02 2.080947661e+02 1.40 1.929476138e+02 1.929476138e+02 1.42 1.788743570e+02 1.788743570e+02 1.44 1.657914237e+02 1.657914237e+02 1.46 1.536223159e+02 1.536223159e+02 1.48 1.422978091e+02 1.422978091e+02 1.50 1.317558562e+02 1.317558562e+02 1.52 1.219407336e+02 1.219407336e+02 1.54 1.128019213e+02 1.128019213e+02 1.56 1.042934179e+02 1.042934179e+02 1.58 9.637346658e+01 9.637346658e+01 1.60 8.900406433e+01 8.900406433e+01 1.62 8.214997949e+01 8.214997949e+01 1.64 7.577766232e+01 7.577766232e+01 1.66 6.985453337e+01 6.985453337e+01 1.68 6.434886640e+01 6.434886640e+01 1.70 5.923020339e+01 5.923020339e+01 1.72 5.446980197e+01 5.446980197e+01 1.74 5.004093089e+01 5.004093089e+01 1.76 4.591893784e+01 4.591893784e+01 1.78 4.208122528e+01 4.208122528e+01 1.80 3.850711887e+01 3.850711887e+01 1.82 3.517770155e+01 3.517770155e+01 1.84 3.207553336e+01 3.207553336e+01 1.86 2.918455355e+01 2.918455355e+01 1.88 2.649006448e+01 2.649006448e+01 1.90 2.397875458e+01 2.397875458e+01 1.92 2.163859375e+01 2.163859375e+01 1.94 1.945925321e+01 1.945925321e+01 1.96 1.743109470e+01 1.743109470e+01 1.98 1.554579596e+01 1.554579596e+01 2.00 1.379530162e+01 1.379530162e+01 2.02 1.217120099e+01 1.217120099e+01 2.04 1.066504821e+01 1.066504821e+01 2.06 9.268748331e+00 9.268748331e+00 2.08 7.974535000e+00 7.974535000e+00 2.10 6.774959758e+00 6.774959758e+00 2.12 5.662934866e+00 5.662934866e+00 2.14 4.631810726e+00 4.631810726e+00 2.16 3.675479380e+00 3.675479380e+00 2.18 2.788425993e+00 2.788425993e+00 2.20 1.965728473e+00 1.965728473e+00 2.22 1.202977087e+00 1.202977087e+00 2.24 4.961872353e-01 4.961872353e-01 2.26 -1.582687923e-01 -1.582687923e-01 2.28 -7.637165762e-01 -7.637165762e-01 2.30 -1.323177744e+00 -1.323177744e+00 2.32 -1.839434800e+00 -1.839434800e+00 2.34 -2.315029833e+00 -2.315029833e+00 2.36 -2.752337290e+00 -2.752337290e+00 2.38 -3.153603030e+00 -3.153603030e+00 2.40 -3.520983532e+00 -3.520983532e+00 2.42 -3.856582611e+00 -3.856582611e+00 2.44 -4.162462641e+00 -4.162462641e+00 2.46 -4.440655649e+00 -4.440655649e+00 2.48 -4.693149767e+00 -4.693149767e+00 2.50 -4.921863702e+00 -4.921863702e+00 2.52 -5.128614720e+00 -5.128614720e+00 2.54 -5.315088858e+00 -5.315088858e+00 2.56 -5.482820500e+00 -5.482820500e+00 2.58 -5.633185427e+00 -5.633185427e+00 2.60 -5.767407752e+00 -5.767407752e+00 2.62 -5.886573540e+00 -5.886573540e+00 2.64 -5.991669934e+00 -5.991669934e+00 2.66 -6.083582057e+00 -6.083582057e+00 2.68 -6.163133575e+00 -6.163133575e+00 2.70 -6.231098873e+00 -6.231098873e+00 2.72 -6.288215458e+00 -6.288215458e+00 2.74 -6.335204062e+00 -6.335204062e+00 2.76 -6.372854742e+00 -6.372854742e+00 2.78 -6.401727863e+00 -6.401727863e+00 2.80 -6.422330179e+00 -6.422330179e+00 2.82 -6.435143811e+00 -6.435143811e+00 2.84 -6.440632647e+00 -6.440632647e+00 2.86 -6.439235943e+00 -6.439235943e+00 2.88 -6.431299732e+00 -6.431299732e+00 2.90 -6.417195747e+00 -6.417195747e+00 2.92 -6.397312382e+00 -6.397312382e+00 2.94 -6.371798193e+00 -6.371798193e+00 2.96 -6.340808609e+00 -6.340808609e+00 2.98 -6.304500949e+00 -6.304500949e+00 3.00 -6.262995585e+00 -6.262995585e+00 3.02 -6.216436355e+00 -6.216436355e+00 3.04 -6.164979700e+00 -6.164979700e+00 3.06 -6.108804310e+00 -6.108804310e+00 3.08 -6.048031223e+00 -6.048031223e+00 3.10 -5.982710805e+00 -5.982710805e+00 3.12 -5.912888397e+00 -5.912888397e+00 3.14 -5.838603630e+00 -5.838603630e+00 3.16 -5.759922862e+00 -5.759922862e+00 3.18 -5.676965320e+00 -5.676965320e+00 3.20 -5.589894103e+00 -5.589894103e+00 3.22 -5.498913042e+00 -5.498913042e+00 3.24 -5.404264903e+00 -5.404264903e+00 3.26 -5.306231008e+00 -5.306231008e+00 3.28 -5.205131391e+00 -5.205131391e+00 3.30 -5.101323738e+00 -5.101323738e+00 3.32 -4.995199428e+00 -4.995199428e+00 3.34 -4.887176021e+00 -4.887176021e+00 3.36 -4.777687065e+00 -4.777687065e+00 3.38 -4.667171184e+00 -4.667171184e+00 3.40 -4.556060757e+00 -4.556060757e+00 3.42 -4.444782008e+00 -4.444782008e+00 3.44 -4.333738414e+00 -4.333738414e+00 3.46 -4.223314973e+00 -4.223314973e+00 3.48 -4.113871951e+00 -4.113871951e+00 3.50 -4.005740052e+00 -4.005740052e+00 3.52 -3.899214866e+00 -3.899214866e+00 3.54 -3.794551279e+00 -3.794551279e+00 3.56 -3.691958772e+00 -3.691958772e+00 3.58 -3.591598441e+00 -3.591598441e+00 3.60 -3.493582288e+00 -3.493582288e+00 3.62 -3.397974951e+00 -3.397974951e+00 3.64 -3.304797703e+00 -3.304797703e+00 3.66 -3.214034333e+00 -3.214034333e+00 3.68 -3.125638408e+00 -3.125638408e+00 3.70 -3.039541380e+00 -3.039541380e+00 3.72 -2.955661033e+00 -2.955661033e+00 3.74 -2.873909830e+00 -2.873909830e+00 3.76 -2.794202712e+00 -2.794202712e+00 3.78 -2.716463918e+00 -2.716463918e+00 3.80 -2.640632344e+00 -2.640632344e+00 3.82 -2.566664968e+00 -2.566664968e+00 3.84 -2.494537879e+00 -2.494537879e+00 3.86 -2.424244691e+00 -2.424244691e+00 3.88 -2.355792396e+00 -2.355792396e+00 3.90 -2.289195233e+00 -2.289195233e+00 3.92 -2.224463897e+00 -2.224463897e+00 3.94 -2.161613804e+00 -2.161613804e+00 3.96 -2.100635497e+00 -2.100635497e+00 3.98 -2.041508311e+00 -2.041508311e+00 4.00 -1.984195056e+00 -1.984195056e+00 4.02 -1.928643476e+00 -1.928643476e+00 4.04 -1.874789329e+00 -1.874789329e+00 4.06 -1.822560284e+00 -1.822560284e+00 4.08 -1.771879946e+00 -1.771879946e+00 4.10 -1.722663296e+00 -1.722663296e+00 4.12 -1.674853946e+00 -1.674853946e+00 4.14 -1.628372252e+00 -1.628372252e+00 4.16 -1.583154866e+00 -1.583154866e+00 4.18 -1.539145478e+00 -1.539145478e+00 4.20 -1.496295159e+00 -1.496295159e+00 4.22 -1.454562287e+00 -1.454562287e+00 4.24 -1.413912118e+00 -1.413912118e+00 4.26 -1.374316041e+00 -1.374316041e+00 4.28 -1.335750581e+00 -1.335750581e+00 4.30 -1.298196195e+00 -1.298196195e+00 4.32 -1.261635952e+00 -1.261635952e+00 4.34 -1.226054215e+00 -1.226054215e+00 4.36 -1.191435442e+00 -1.191435442e+00 4.38 -1.157763220e+00 -1.157763220e+00 4.40 -1.125019608e+00 -1.125019608e+00 4.42 -1.093184802e+00 -1.093184802e+00 4.44 -1.062237112e+00 -1.062237112e+00 4.46 -1.032153163e+00 -1.032153163e+00 4.48 -1.002908252e+00 -1.002908252e+00 4.50 -9.744767750e-01 -9.744767750e-01 4.52 -9.468326417e-01 -9.468326417e-01 4.54 -9.199496511e-01 -9.199496511e-01 4.56 -8.938017913e-01 -8.938017913e-01 4.58 -8.683634636e-01 -8.683634636e-01 4.60 -8.436096396e-01 -8.436096396e-01 4.62 -8.195159643e-01 -8.195159643e-01 4.64 -7.960588244e-01 -7.960588244e-01 4.66 -7.732154002e-01 -7.732154002e-01 4.68 -7.509637161e-01 -7.509637161e-01 4.70 -7.292827037e-01 -7.292827037e-01 4.72 -7.081522859e-01 -7.081522859e-01 4.74 -6.875534892e-01 -6.875534892e-01 4.76 -6.674685821e-01 -6.674685821e-01 4.78 -6.478812380e-01 -6.478812380e-01 4.80 -6.287705324e-01 -6.287705324e-01 4.82 -6.101368662e-01 -6.101368662e-01 4.84 -5.919617203e-01 -5.919617203e-01 4.86 -5.742359789e-01 -5.742359789e-01 4.88 -5.569524771e-01 -5.569524771e-01 4.90 -5.401058740e-01 -5.401058740e-01 4.92 -5.236923912e-01 -5.236923912e-01 4.94 -5.077094112e-01 -5.077094112e-01 4.96 -4.921549551e-01 -4.921549551e-01 4.98 -4.770270750e-01 -4.770270750e-01 5.00 -4.623232199e-01 -4.623232199e-01 5.02 -4.480396389e-01 -4.480396389e-01 5.04 -4.341708855e-01 -4.341708855e-01 5.06 -4.207094751e-01 -4.207094751e-01 5.08 -4.076457245e-01 -4.076457245e-01 5.10 -3.949677795e-01 -3.949677795e-01 5.12 -3.826618120e-01 -3.826618120e-01 5.14 -3.707123539e-01 -3.707123539e-01 5.16 -3.591027254e-01 -3.591027254e-01 5.18 -3.478155175e-01 -3.478155175e-01 5.20 -3.368330922e-01 -3.368330922e-01 5.22 -3.261380754e-01 -3.261380754e-01 5.24 -3.157138255e-01 -3.157138255e-01 5.26 -3.055448679e-01 -3.055448679e-01 5.28 -2.956172906e-01 -2.956172906e-01 5.30 -2.859190957e-01 -2.859190957e-01 5.32 -2.764405005e-01 -2.764405005e-01 5.34 -2.671741772e-01 -2.671741772e-01 5.36 -2.581154148e-01 -2.581154148e-01 5.38 -2.492621849e-01 -2.492621849e-01 5.40 -2.406150896e-01 -2.406150896e-01 5.42 -2.321771754e-01 -2.321771754e-01 5.44 -2.239536028e-01 -2.239536028e-01 5.46 -2.159511750e-01 -2.159511750e-01 5.48 -2.081777433e-01 -2.081777433e-01 5.50 -2.006415259e-01 -2.006415259e-01 5.52 -1.933503904e-01 -1.933503904e-01 5.54 -1.863111551e-01 -1.863111551e-01 5.56 -1.795289709e-01 -1.795289709e-01 5.58 -1.730068316e-01 -1.730068316e-01 5.60 -1.667450457e-01 -1.667450457e-01 5.62 -1.607413396e-01 -1.607413396e-01 5.64 -1.549912281e-01 -1.549912281e-01 5.66 -1.494877330e-01 -1.494877330e-01 5.68 -1.442216905e-01 -1.442216905e-01 5.70 -1.391821392e-01 -1.391821392e-01 5.72 -1.343567390e-01 -1.343567390e-01 5.74 -1.297321869e-01 -1.297321869e-01 5.76 -1.252946012e-01 -1.252946012e-01 5.78 -1.210298562e-01 -1.210298562e-01 5.80 -1.169238589e-01 -1.169238589e-01 5.82 -1.129627658e-01 -1.129627658e-01 5.84 -1.091331445e-01 -1.091331445e-01 5.86 -1.054220860e-01 -1.054220860e-01 5.88 -1.018172792e-01 -1.018172792e-01 5.90 -9.830705579e-02 -9.830705579e-02 5.92 -9.488041664e-02 -9.488041664e-02 5.94 -9.152704801e-02 -9.152704801e-02 5.96 -8.823733556e-02 -8.823733556e-02 5.98 -8.500238281e-02 -8.500238281e-02 6.00 -8.181403916e-02 -8.181403916e-02