# 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 = AlNiW2 # 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 2.387315875e+02 2.387315875e+02 1.30 2.201130895e+02 2.201130895e+02 1.32 2.029584115e+02 2.029584115e+02 1.34 1.871363634e+02 1.871363634e+02 1.36 1.725267963e+02 1.725267963e+02 1.38 1.590224219e+02 1.590224219e+02 1.40 1.465289870e+02 1.465289870e+02 1.42 1.349636563e+02 1.349636563e+02 1.44 1.242525193e+02 1.242525193e+02 1.46 1.143283911e+02 1.143283911e+02 1.48 1.051298216e+02 1.051298216e+02 1.50 9.660124408e+01 9.660124408e+01 1.52 8.869332360e+01 8.869332360e+01 1.54 8.136267003e+01 8.136267003e+01 1.56 7.457080931e+01 7.457080931e+01 1.58 6.828282151e+01 6.828282151e+01 1.60 6.246611506e+01 6.246611506e+01 1.62 5.708956824e+01 5.708956824e+01 1.64 5.212300839e+01 5.212300839e+01 1.66 4.753694871e+01 4.753694871e+01 1.68 4.330260609e+01 4.330260609e+01 1.70 3.939220657e+01 3.939220657e+01 1.72 3.577941508e+01 3.577941508e+01 1.74 3.243966787e+01 3.243966787e+01 1.76 2.935033607e+01 2.935033607e+01 1.78 2.649080242e+01 2.649080242e+01 1.80 2.384339919e+01 2.384339919e+01 1.82 2.139233715e+01 2.139233715e+01 1.84 1.912314896e+01 1.912314896e+01 1.86 1.702321918e+01 1.702321918e+01 1.88 1.508146790e+01 1.508146790e+01 1.90 1.328932631e+01 1.328932631e+01 1.92 1.163807403e+01 1.163807403e+01 1.94 1.011847897e+01 1.011847897e+01 1.96 8.721564432e+00 8.721564432e+00 1.98 7.438585644e+00 7.438585644e+00 2.00 6.261093328e+00 6.261093328e+00 2.02 5.181010277e+00 5.181010277e+00 2.04 4.190663828e+00 4.190663828e+00 2.06 3.282758344e+00 3.282758344e+00 2.08 2.450315979e+00 2.450315979e+00 2.10 1.686637212e+00 1.686637212e+00 2.12 9.853219649e-01 9.853219649e-01 2.14 3.403574000e-01 3.403574000e-01 2.16 -2.537567133e-01 -2.537567133e-01 2.18 -8.018919009e-01 -8.018919009e-01 2.20 -1.308225964e+00 -1.308225964e+00 2.22 -1.776249843e+00 -1.776249843e+00 2.24 -2.208841884e+00 -2.208841884e+00 2.26 -2.608386692e+00 -2.608386692e+00 2.28 -2.976909175e+00 -2.976909175e+00 2.30 -3.316197602e+00 -3.316197602e+00 2.32 -3.627897561e+00 -3.627897561e+00 2.34 -3.913567315e+00 -3.913567315e+00 2.36 -4.174695429e+00 -4.174695429e+00 2.38 -4.412691632e+00 -4.412691632e+00 2.40 -4.628791412e+00 -4.628791412e+00 2.42 -4.824110713e+00 -4.824110713e+00 2.44 -4.999931648e+00 -4.999931648e+00 2.46 -5.157432107e+00 -5.157432107e+00 2.48 -5.297704900e+00 -5.297704900e+00 2.50 -5.421783732e+00 -5.421783732e+00 2.52 -5.530660604e+00 -5.530660604e+00 2.54 -5.625296102e+00 -5.625296102e+00 2.56 -5.706521774e+00 -5.706521774e+00 2.58 -5.774666080e+00 -5.774666080e+00 2.60 -5.829986247e+00 -5.829986247e+00 2.62 -5.872824925e+00 -5.872824925e+00 2.64 -5.903581125e+00 -5.903581125e+00 2.66 -5.922679989e+00 -5.922679989e+00 2.68 -5.930547002e+00 -5.930547002e+00 2.70 -5.927591985e+00 -5.927591985e+00 2.72 -5.914204478e+00 -5.914204478e+00 2.74 -5.890757723e+00 -5.890757723e+00 2.76 -5.857616423e+00 -5.857616423e+00 2.78 -5.815144676e+00 -5.815144676e+00 2.80 -5.763713585e+00 -5.763713585e+00 2.82 -5.703707817e+00 -5.703707817e+00 2.84 -5.635536378e+00 -5.635536378e+00 2.86 -5.559647994e+00 -5.559647994e+00 2.88 -5.476547138e+00 -5.476547138e+00 2.90 -5.386810532e+00 -5.386810532e+00 2.92 -5.291100953e+00 -5.291100953e+00 2.94 -5.190212094e+00 -5.190212094e+00 2.96 -5.085683980e+00 -5.085683980e+00 2.98 -4.978394915e+00 -4.978394915e+00 3.00 -4.868898826e+00 -4.868898826e+00 3.02 -4.757821800e+00 -4.757821800e+00 3.04 -4.645818585e+00 -4.645818585e+00 3.06 -4.533521033e+00 -4.533521033e+00 3.08 -4.421491156e+00 -4.421491156e+00 3.10 -4.310189267e+00 -4.310189267e+00 3.12 -4.199964210e+00 -4.199964210e+00 3.14 -4.091022080e+00 -4.091022080e+00 3.16 -3.983422454e+00 -3.983422454e+00 3.18 -3.877093432e+00 -3.877093432e+00 3.20 -3.771855174e+00 -3.771855174e+00 3.22 -3.667448579e+00 -3.667448579e+00 3.24 -3.563565974e+00 -3.563565974e+00 3.26 -3.459881506e+00 -3.459881506e+00 3.28 -3.356079803e+00 -3.356079803e+00 3.30 -3.251882156e+00 -3.251882156e+00 3.32 -3.147069854e+00 -3.147069854e+00 3.34 -3.041504336e+00 -3.041504336e+00 3.36 -2.935143617e+00 -2.935143617e+00 3.38 -2.828054131e+00 -2.828054131e+00 3.40 -2.720416902e+00 -2.720416902e+00 3.42 -2.612526910e+00 -2.612526910e+00 3.44 -2.504784766e+00 -2.504784766e+00 3.46 -2.397680472e+00 -2.397680472e+00 3.48 -2.291769880e+00 -2.291769880e+00 3.50 -2.187645483e+00 -2.187645483e+00 3.52 -2.085904022e+00 -2.085904022e+00 3.54 -1.987113969e+00 -1.987113969e+00 3.56 -1.891785995e+00 -1.891785995e+00 3.58 -1.800349098e+00 -1.800349098e+00 3.60 -1.713134215e+00 -1.713134215e+00 3.62 -1.630366127e+00 -1.630366127e+00 3.64 -1.552163335e+00 -1.552163335e+00 3.66 -1.478544835e+00 -1.478544835e+00 3.68 -1.409442076e+00 -1.409442076e+00 3.70 -1.344714247e+00 -1.344714247e+00 3.72 -1.284165080e+00 -1.284165080e+00 3.74 -1.227559616e+00 -1.227559616e+00 3.76 -1.174639748e+00 -1.174639748e+00 3.78 -1.125137743e+00 -1.125137743e+00 3.80 -1.078787245e+00 -1.078787245e+00 3.82 -1.035331556e+00 -1.035331556e+00 3.84 -9.945292019e-01 -9.945292019e-01 3.86 -9.561569716e-01 -9.561569716e-01 3.88 -9.200107678e-01 -9.200107678e-01 3.90 -8.859047384e-01 -8.859047384e-01 3.92 -8.536692447e-01 -8.536692447e-01 3.94 -8.231482794e-01 -8.231482794e-01 3.96 -7.941968159e-01 -7.941968159e-01 3.98 -7.666785814e-01 -7.666785814e-01 4.00 -7.404644418e-01 -7.404644418e-01 4.02 -7.154314938e-01 -7.154314938e-01 4.04 -6.914627905e-01 -6.914627905e-01 4.06 -6.684475655e-01 -6.684475655e-01 4.08 -6.462817544e-01 -6.462817544e-01 4.10 -6.248686636e-01 -6.248686636e-01 4.12 -6.041197687e-01 -6.041197687e-01 4.14 -5.839553826e-01 -5.839553826e-01 4.16 -5.643053510e-01 -5.643053510e-01 4.18 -5.451094102e-01 -5.451094102e-01 4.20 -5.263184695e-01 -5.263184695e-01 4.22 -5.078943635e-01 -5.078943635e-01 4.24 -4.898098733e-01 -4.898098733e-01 4.26 -4.720485967e-01 -4.720485967e-01 4.28 -4.546044377e-01 -4.546044377e-01 4.30 -4.374806992e-01 -4.374806992e-01 4.32 -4.206888063e-01 -4.206888063e-01 4.34 -4.042467277e-01 -4.042467277e-01 4.36 -3.881772065e-01 -3.881772065e-01 4.38 -3.725059226e-01 -3.725059226e-01 4.40 -3.572597025e-01 -3.572597025e-01 4.42 -3.424648561e-01 -3.424648561e-01 4.44 -3.281456769e-01 -3.281456769e-01 4.46 -3.143231067e-01 -3.143231067e-01 4.48 -3.010135485e-01 -3.010135485e-01 4.50 -2.882278233e-01 -2.882278233e-01 4.52 -2.759702928e-01 -2.759702928e-01 4.54 -2.642382018e-01 -2.642382018e-01 4.56 -2.530213090e-01 -2.530213090e-01 4.58 -2.423018744e-01 -2.423018744e-01 4.60 -2.320550379e-01 -2.320550379e-01 4.62 -2.222494845e-01 -2.222494845e-01 4.64 -2.128485883e-01 -2.128485883e-01 4.66 -2.038121485e-01 -2.038121485e-01 4.68 -1.950974519e-01 -1.950974519e-01 4.70 -1.866608472e-01 -1.866608472e-01 4.72 -1.784593016e-01 -1.784593016e-01 4.74 -1.704518601e-01 -1.704518601e-01 4.76 -1.626009767e-01 -1.626009767e-01 4.78 -1.548737010e-01 -1.548737010e-01 4.80 -1.472427036e-01 -1.472427036e-01 4.82 -1.396871629e-01 -1.396871629e-01 4.84 -1.321934037e-01 -1.321934037e-01 4.86 -1.247553778e-01 -1.247553778e-01 4.88 -1.173748525e-01 -1.173748525e-01 4.90 -1.100613008e-01 -1.100613008e-01 4.92 -1.028314501e-01 -1.028314501e-01 4.94 -9.570846491e-02 -9.570846491e-02 4.96 -8.872077265e-02 -8.872077265e-02 4.98 -8.190057226e-02 -8.190057226e-02 5.00 -7.528210702e-02 -7.528210702e-02 5.02 -6.889981489e-02 -6.889981489e-02 5.04 -6.278649207e-02 -6.278649207e-02 5.06 -5.697161017e-02 -5.697161017e-02 5.08 -5.147991281e-02 -5.147991281e-02 5.10 -4.633038593e-02 -4.633038593e-02 5.12 -4.153565350e-02 -4.153565350e-02 5.14 -3.710180337e-02 -3.710180337e-02 5.16 -3.302860603e-02 -3.302860603e-02 5.18 -2.931005515e-02 -2.931005515e-02 5.20 -2.593514211e-02 -2.593514211e-02 5.22 -2.288877216e-02 -2.288877216e-02 5.24 -2.015273182e-02 -2.015273182e-02 5.26 -1.770661601e-02 -1.770661601e-02 5.28 -1.552838495e-02 -1.552838495e-02 5.30 -1.359594099e-02 -1.359594099e-02 5.32 -1.188737134e-02 -1.188737134e-02 5.34 -1.038124765e-02 -1.038124765e-02 5.36 -9.057038259e-03 -9.057038259e-03 5.38 -7.895394469e-03 -7.895394469e-03 5.40 -6.878330511e-03 -6.878330511e-03 5.42 -5.989317438e-03 -5.989317438e-03 5.44 -5.213310140e-03 -5.213310140e-03 5.46 -4.536724524e-03 -4.536724524e-03 5.48 -3.947379380e-03 -3.947379380e-03 5.50 -3.434414772e-03 -3.434414772e-03 5.52 -2.988196343e-03 -2.988196343e-03 5.54 -2.600212679e-03 -2.600212679e-03 5.56 -2.262971026e-03 -2.262971026e-03 5.58 -1.969895110e-03 -1.969895110e-03 5.60 -1.715227596e-03 -1.715227596e-03 5.62 -1.493938774e-03 -1.493938774e-03 5.64 -1.301642357e-03 -1.301642357e-03 5.66 -1.134518770e-03 -1.134518770e-03 5.68 -9.892459114e-04 -9.892459114e-04 5.70 -8.629371645e-04 -8.629371645e-04 5.72 -7.530862446e-04 -7.530862446e-04 5.74 -6.575183885e-04 -6.575183885e-04 5.76 -5.743473458e-04 -5.743473458e-04 5.78 -5.019376215e-04 -5.019376215e-04 5.80 -4.388714279e-04 -4.388714279e-04 5.82 -3.839198316e-04 -3.839198316e-04 5.84 -3.360176154e-04 -3.360176154e-04 5.86 -2.942414141e-04 -2.942414141e-04 5.88 -2.577907263e-04 -2.577907263e-04 5.90 -2.259714402e-04 -2.259714402e-04 5.92 -1.981815562e-04 -1.981815562e-04 5.94 -1.738988211e-04 -1.738988211e-04 5.96 -1.526700236e-04 -1.526700236e-04 5.98 -1.341017331e-04 -1.341017331e-04 6.00 -1.178522883e-04 -1.178522883e-04