# 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 = AlMg2Ta # 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 3.295246988e+02 3.295246988e+02 1.30 3.060381758e+02 3.060381758e+02 1.32 2.842698835e+02 2.842698835e+02 1.34 2.640808238e+02 2.640808238e+02 1.36 2.453465269e+02 2.453465269e+02 1.38 2.279561253e+02 2.279561253e+02 1.40 2.118102228e+02 2.118102228e+02 1.42 1.968182058e+02 1.968182058e+02 1.44 1.828957439e+02 1.828957439e+02 1.46 1.699630472e+02 1.699630472e+02 1.48 1.579442931e+02 1.579442931e+02 1.50 1.467681110e+02 1.467681110e+02 1.52 1.363683641e+02 1.363683641e+02 1.54 1.266845677e+02 1.266845677e+02 1.56 1.176619600e+02 1.176619600e+02 1.58 1.092513544e+02 1.092513544e+02 1.60 1.014086878e+02 1.014086878e+02 1.62 9.409419755e+01 9.409419755e+01 1.64 8.727145105e+01 8.727145105e+01 1.66 8.090712579e+01 8.090712579e+01 1.68 7.497370330e+01 7.497370330e+01 1.70 6.944213962e+01 6.944213962e+01 1.72 6.428484768e+01 6.428484768e+01 1.74 5.947672834e+01 5.947672834e+01 1.76 5.499597272e+01 5.499597272e+01 1.78 5.082155014e+01 5.082155014e+01 1.80 4.693360206e+01 4.693360206e+01 1.82 4.331365294e+01 4.331365294e+01 1.84 3.994451257e+01 3.994451257e+01 1.86 3.681017846e+01 3.681017846e+01 1.88 3.389568346e+01 3.389568346e+01 1.90 3.118688199e+01 3.118688199e+01 1.92 2.867020143e+01 2.867020143e+01 1.94 2.633242252e+01 2.633242252e+01 1.96 2.416057252e+01 2.416057252e+01 1.98 2.214198473e+01 2.214198473e+01 2.00 2.026451558e+01 2.026451558e+01 2.02 1.851684028e+01 1.851684028e+01 2.04 1.688871417e+01 1.688871417e+01 2.06 1.537110265e+01 1.537110265e+01 2.08 1.395614722e+01 1.395614722e+01 2.10 1.263700841e+01 1.263700841e+01 2.12 1.140765399e+01 1.140765399e+01 2.14 1.026265701e+01 1.026265701e+01 2.16 9.197037291e+00 9.197037291e+00 2.18 8.206150368e+00 8.206150368e+00 2.20 7.285617700e+00 7.285617700e+00 2.22 6.431279822e+00 6.431279822e+00 2.24 5.639165162e+00 5.639165162e+00 2.26 4.905466384e+00 4.905466384e+00 2.28 4.226519340e+00 4.226519340e+00 2.30 3.598790851e+00 3.598790851e+00 2.32 3.018876327e+00 3.018876327e+00 2.34 2.483626876e+00 2.483626876e+00 2.36 1.989773138e+00 1.989773138e+00 2.38 1.534139683e+00 1.534139683e+00 2.40 1.113787522e+00 1.113787522e+00 2.42 7.260329621e-01 7.260329621e-01 2.44 3.684486000e-01 3.684486000e-01 2.46 3.896739854e-02 3.896739854e-02 2.48 -2.640059042e-01 -2.640059042e-01 2.50 -5.420125727e-01 -5.420125727e-01 2.52 -7.966025961e-01 -7.966025961e-01 2.54 -1.029323146e+00 -1.029323146e+00 2.56 -1.241707277e+00 -1.241707277e+00 2.58 -1.435260728e+00 -1.435260728e+00 2.60 -1.611444323e+00 -1.611444323e+00 2.62 -1.771650207e+00 -1.771650207e+00 2.64 -1.917175654e+00 -1.917175654e+00 2.66 -2.049195670e+00 -2.049195670e+00 2.68 -2.168748586e+00 -2.168748586e+00 2.70 -2.276734186e+00 -2.276734186e+00 2.72 -2.373926141e+00 -2.373926141e+00 2.74 -2.460993426e+00 -2.460993426e+00 2.76 -2.538898167e+00 -2.538898167e+00 2.78 -2.608554197e+00 -2.608554197e+00 2.80 -2.670171646e+00 -2.670171646e+00 2.82 -2.723969732e+00 -2.723969732e+00 2.84 -2.770184472e+00 -2.770184472e+00 2.86 -2.809065882e+00 -2.809065882e+00 2.88 -2.840874869e+00 -2.840874869e+00 2.90 -2.865880353e+00 -2.865880353e+00 2.92 -2.884361437e+00 -2.884361437e+00 2.94 -2.896618453e+00 -2.896618453e+00 2.96 -2.902959542e+00 -2.902959542e+00 2.98 -2.903697344e+00 -2.903697344e+00 3.00 -2.899151449e+00 -2.899151449e+00 3.02 -2.889650081e+00 -2.889650081e+00 3.04 -2.875529735e+00 -2.875529735e+00 3.06 -2.857133417e+00 -2.857133417e+00 3.08 -2.834803086e+00 -2.834803086e+00 3.10 -2.808873015e+00 -2.808873015e+00 3.12 -2.779660810e+00 -2.779660810e+00 3.14 -2.747462888e+00 -2.747462888e+00 3.16 -2.712549117e+00 -2.712549117e+00 3.18 -2.675166918e+00 -2.675166918e+00 3.20 -2.635547000e+00 -2.635547000e+00 3.22 -2.593912425e+00 -2.593912425e+00 3.24 -2.550488482e+00 -2.550488482e+00 3.26 -2.505511229e+00 -2.505511229e+00 3.28 -2.459232895e+00 -2.459232895e+00 3.30 -2.411922896e+00 -2.411922896e+00 3.32 -2.363864099e+00 -2.363864099e+00 3.34 -2.315344890e+00 -2.315344890e+00 3.36 -2.266648406e+00 -2.266648406e+00 3.38 -2.218040810e+00 -2.218040810e+00 3.40 -2.169760386e+00 -2.169760386e+00 3.42 -2.122009343e+00 -2.122009343e+00 3.44 -2.074948111e+00 -2.074948111e+00 3.46 -2.028693746e+00 -2.028693746e+00 3.48 -1.983346794e+00 -1.983346794e+00 3.50 -1.938946450e+00 -1.938946450e+00 3.52 -1.895465032e+00 -1.895465032e+00 3.54 -1.852852253e+00 -1.852852253e+00 3.56 -1.811041404e+00 -1.811041404e+00 3.58 -1.769955588e+00 -1.769955588e+00 3.60 -1.729513577e+00 -1.729513577e+00 3.62 -1.689635117e+00 -1.689635117e+00 3.64 -1.650230947e+00 -1.650230947e+00 3.66 -1.611148719e+00 -1.611148719e+00 3.68 -1.572231312e+00 -1.572231312e+00 3.70 -1.533346407e+00 -1.533346407e+00 3.72 -1.494389658e+00 -1.494389658e+00 3.74 -1.455287821e+00 -1.455287821e+00 3.76 -1.416001349e+00 -1.416001349e+00 3.78 -1.376526057e+00 -1.376526057e+00 3.80 -1.336893429e+00 -1.336893429e+00 3.82 -1.297169184e+00 -1.297169184e+00 3.84 -1.257449851e+00 -1.257449851e+00 3.86 -1.217857341e+00 -1.217857341e+00 3.88 -1.178531769e+00 -1.178531769e+00 3.90 -1.139623043e+00 -1.139623043e+00 3.92 -1.101281818e+00 -1.101281818e+00 3.94 -1.063651582e+00 -1.063651582e+00 3.96 -1.026860188e+00 -1.026860188e+00 3.98 -9.910148540e-01 -9.910148540e-01 4.00 -9.561983197e-01 -9.561983197e-01 4.02 -9.224673217e-01 -9.224673217e-01 4.04 -8.898530294e-01 -8.898530294e-01 4.06 -8.583630931e-01 -8.583630931e-01 4.08 -8.279848797e-01 -8.279848797e-01 4.10 -7.986887883e-01 -7.986887883e-01 4.12 -7.704354609e-01 -7.704354609e-01 4.14 -7.431756790e-01 -7.431756790e-01 4.16 -7.168577464e-01 -7.168577464e-01 4.18 -6.914304284e-01 -6.914304284e-01 4.20 -6.668461812e-01 -6.668461812e-01 4.22 -6.430636899e-01 -6.430636899e-01 4.24 -6.200496121e-01 -6.200496121e-01 4.26 -5.977794463e-01 -5.977794463e-01 4.28 -5.762374905e-01 -5.762374905e-01 4.30 -5.554159197e-01 -5.554159197e-01 4.32 -5.353130901e-01 -5.353130901e-01 4.34 -5.159312646e-01 -5.159312646e-01 4.36 -4.972740235e-01 -4.972740235e-01 4.38 -4.793436648e-01 -4.793436648e-01 4.40 -4.621388856e-01 -4.621388856e-01 4.42 -4.456529837e-01 -4.456529837e-01 4.44 -4.298727231e-01 -4.298727231e-01 4.46 -4.147779019e-01 -4.147779019e-01 4.48 -4.003415615e-01 -4.003415615e-01 4.50 -3.865307060e-01 -3.865307060e-01 4.52 -3.733073627e-01 -3.733073627e-01 4.54 -3.606298158e-01 -3.606298158e-01 4.56 -3.484538659e-01 -3.484538659e-01 4.58 -3.367340103e-01 -3.367340103e-01 4.60 -3.254244789e-01 -3.254244789e-01 4.62 -3.144801034e-01 -3.144801034e-01 4.64 -3.038570215e-01 -3.038570215e-01 4.66 -2.935132458e-01 -2.935132458e-01 4.68 -2.834091314e-01 -2.834091314e-01 4.70 -2.735077833e-01 -2.735077833e-01 4.72 -2.637754404e-01 -2.637754404e-01 4.74 -2.541818666e-01 -2.541818666e-01 4.76 -2.447007670e-01 -2.447007670e-01 4.78 -2.353102377e-01 -2.353102377e-01 4.80 -2.259928594e-01 -2.259928594e-01 4.82 -2.167377571e-01 -2.167377571e-01 4.84 -2.075385507e-01 -2.075385507e-01 4.86 -1.983954452e-01 -1.983954452e-01 4.88 -1.893149690e-01 -1.893149690e-01 4.90 -1.803099575e-01 -1.803099575e-01 4.92 -1.713992648e-01 -1.713992648e-01 4.94 -1.626071616e-01 -1.626071616e-01 4.96 -1.539624057e-01 -1.539624057e-01 4.98 -1.454970072e-01 -1.454970072e-01 5.00 -1.372447469e-01 -1.372447469e-01 5.02 -1.292395451e-01 -1.292395451e-01 5.04 -1.215138011e-01 -1.215138011e-01 5.06 -1.140968354e-01 -1.140968354e-01 5.08 -1.070135584e-01 -1.070135584e-01 5.10 -1.002834623e-01 -1.002834623e-01 5.12 -9.391999775e-02 -9.391999775e-02 5.14 -8.793035045e-02 -8.793035045e-02 5.16 -8.231559373e-02 -8.231559373e-02 5.18 -7.707115850e-02 -7.707115850e-02 5.20 -7.218754663e-02 -7.218754663e-02 5.22 -6.765118811e-02 -6.765118811e-02 5.24 -6.344535019e-02 -6.344535019e-02 5.26 -5.955108379e-02 -5.955108379e-02 5.28 -5.594808785e-02 -5.594808785e-02 5.30 -5.261547472e-02 -5.261547472e-02 5.32 -4.953230495e-02 -4.953230495e-02 5.34 -4.667711573e-02 -4.667711573e-02 5.36 -4.403107311e-02 -4.403107311e-02 5.38 -4.157679974e-02 -4.157679974e-02 5.40 -3.929803713e-02 -3.929803713e-02 5.42 -3.717981711e-02 -3.717981711e-02 5.44 -3.520852627e-02 -3.520852627e-02 5.46 -3.337188809e-02 -3.337188809e-02 5.48 -3.165888539e-02 -3.165888539e-02 5.50 -3.005964327e-02 -3.005964327e-02 5.52 -2.856529059e-02 -2.856529059e-02 5.54 -2.716781529e-02 -2.716781529e-02 5.56 -2.585992586e-02 -2.585992586e-02 5.58 -2.463492791e-02 -2.463492791e-02 5.60 -2.348662139e-02 -2.348662139e-02 5.62 -2.240922046e-02 -2.240922046e-02 5.64 -2.139729552e-02 -2.139729552e-02 5.66 -2.044573429e-02 -2.044573429e-02 5.68 -1.954971812e-02 -1.954971812e-02 5.70 -1.870470889e-02 -1.870470889e-02 5.72 -1.790644225e-02 -1.790644225e-02 5.74 -1.715092334e-02 -1.715092334e-02 5.76 -1.643438875e-02 -1.643438875e-02 5.78 -1.575335747e-02 -1.575335747e-02 5.80 -1.510462657e-02 -1.510462657e-02 5.82 -1.448523634e-02 -1.448523634e-02 5.84 -1.389245898e-02 -1.389245898e-02 5.86 -1.332378571e-02 -1.332378571e-02 5.88 -1.277691341e-02 -1.277691341e-02 5.90 -1.224973117e-02 -1.224973117e-02 5.92 -1.174030783e-02 -1.174030783e-02 5.94 -1.124688079e-02 -1.124688079e-02 5.96 -1.076784687e-02 -1.076784687e-02 5.98 -1.030175539e-02 -1.030175539e-02 6.00 -9.847303823e-03 -9.847303823e-03