# 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 = Al2PdZr # 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 2.067737457e+02 2.067737457e+02 1.30 1.926678800e+02 1.926678800e+02 1.32 1.795478519e+02 1.795478519e+02 1.34 1.673391865e+02 1.673391865e+02 1.36 1.559732396e+02 1.559732396e+02 1.38 1.453853187e+02 1.453853187e+02 1.40 1.355143795e+02 1.355143795e+02 1.42 1.263039933e+02 1.263039933e+02 1.44 1.177032217e+02 1.177032217e+02 1.46 1.096668206e+02 1.096668206e+02 1.48 1.021548112e+02 1.021548112e+02 1.50 9.513158163e+01 9.513158163e+01 1.52 8.856469415e+01 8.856469415e+01 1.54 8.242385221e+01 8.242385221e+01 1.56 7.668017706e+01 7.668017706e+01 1.58 7.130594719e+01 7.130594719e+01 1.60 6.627474252e+01 6.627474252e+01 1.62 6.156185264e+01 6.156185264e+01 1.64 5.714468889e+01 5.714468889e+01 1.66 5.300294963e+01 5.300294963e+01 1.68 4.911842514e+01 4.911842514e+01 1.70 4.547444778e+01 4.547444778e+01 1.72 4.205531714e+01 4.205531714e+01 1.74 3.884616440e+01 3.884616440e+01 1.76 3.583292426e+01 3.583292426e+01 1.78 3.300209740e+01 3.300209740e+01 1.80 3.035054164e+01 3.035054164e+01 1.82 2.787065476e+01 2.787065476e+01 1.84 2.555168892e+01 2.555168892e+01 1.86 2.338529727e+01 2.338529727e+01 1.88 2.136145181e+01 2.136145181e+01 1.90 1.947079955e+01 1.947079955e+01 1.92 1.770470485e+01 1.770470485e+01 1.94 1.605523710e+01 1.605523710e+01 1.96 1.451512161e+01 1.451512161e+01 1.98 1.307768049e+01 1.307768049e+01 2.00 1.173676184e+01 1.173676184e+01 2.02 1.048665067e+01 1.048665067e+01 2.04 9.321977254e+00 9.321977254e+00 2.06 8.237631221e+00 8.237631221e+00 2.08 7.228694304e+00 7.228694304e+00 2.10 6.290389804e+00 6.290389804e+00 2.12 5.418076963e+00 5.418076963e+00 2.14 4.607271623e+00 4.607271623e+00 2.16 3.853694042e+00 3.853694042e+00 2.18 3.153312803e+00 3.153312803e+00 2.20 2.502384016e+00 2.502384016e+00 2.22 1.897459571e+00 1.897459571e+00 2.24 1.335388286e+00 1.335388286e+00 2.26 8.133112637e-01 8.133112637e-01 2.28 3.286554024e-01 3.286554024e-01 2.30 -1.208761403e-01 -1.208761403e-01 2.32 -5.373323395e-01 -5.373323395e-01 2.34 -9.225406071e-01 -9.225406071e-01 2.36 -1.278155983e+00 -1.278155983e+00 2.38 -1.605703261e+00 -1.605703261e+00 2.40 -1.906616989e+00 -1.906616989e+00 2.42 -2.182280130e+00 -2.182280130e+00 2.44 -2.434049089e+00 -2.434049089e+00 2.46 -2.663279348e+00 -2.663279348e+00 2.48 -2.871336270e+00 -2.871336270e+00 2.50 -3.059595242e+00 -3.059595242e+00 2.52 -3.229458823e+00 -3.229458823e+00 2.54 -3.382330456e+00 -3.382330456e+00 2.56 -3.519486523e+00 -3.519486523e+00 2.58 -3.642184181e+00 -3.642184181e+00 2.60 -3.751660268e+00 -3.751660268e+00 2.62 -3.849115611e+00 -3.849115611e+00 2.64 -3.935694098e+00 -3.935694098e+00 2.66 -4.012440740e+00 -4.012440740e+00 2.68 -4.080246719e+00 -4.080246719e+00 2.70 -4.139741211e+00 -4.139741211e+00 2.72 -4.191425037e+00 -4.191425037e+00 2.74 -4.235722503e+00 -4.235722503e+00 2.76 -4.272995397e+00 -4.272995397e+00 2.78 -4.303557872e+00 -4.303557872e+00 2.80 -4.327698954e+00 -4.327698954e+00 2.82 -4.345683333e+00 -4.345683333e+00 2.84 -4.357769434e+00 -4.357769434e+00 2.86 -4.364306806e+00 -4.364306806e+00 2.88 -4.365751632e+00 -4.365751632e+00 2.90 -4.362273491e+00 -4.362273491e+00 2.92 -4.354057187e+00 -4.354057187e+00 2.94 -4.341317909e+00 -4.341317909e+00 2.96 -4.324337534e+00 -4.324337534e+00 2.98 -4.304385513e+00 -4.304385513e+00 3.00 -4.281859065e+00 -4.281859065e+00 3.02 -4.256662017e+00 -4.256662017e+00 3.04 -4.228761728e+00 -4.228761728e+00 3.06 -4.198198103e+00 -4.198198103e+00 3.08 -4.165068774e+00 -4.165068774e+00 3.10 -4.129506903e+00 -4.129506903e+00 3.12 -4.091662724e+00 -4.091662724e+00 3.14 -4.051699101e+00 -4.051699101e+00 3.16 -4.009783341e+00 -4.009783341e+00 3.18 -3.966089690e+00 -3.966089690e+00 3.20 -3.920774967e+00 -3.920774967e+00 3.22 -3.873978109e+00 -3.873978109e+00 3.24 -3.825823744e+00 -3.825823744e+00 3.26 -3.776427396e+00 -3.776427396e+00 3.28 -3.725900956e+00 -3.725900956e+00 3.30 -3.674356954e+00 -3.674356954e+00 3.32 -3.621910521e+00 -3.621910521e+00 3.34 -3.568678709e+00 -3.568678709e+00 3.36 -3.514777768e+00 -3.514777768e+00 3.38 -3.460319637e+00 -3.460319637e+00 3.40 -3.405408035e+00 -3.405408035e+00 3.42 -3.350140936e+00 -3.350140936e+00 3.44 -3.294604286e+00 -3.294604286e+00 3.46 -3.238877762e+00 -3.238877762e+00 3.48 -3.183035266e+00 -3.183035266e+00 3.50 -3.127146472e+00 -3.127146472e+00 3.52 -3.071277808e+00 -3.071277808e+00 3.54 -3.015492774e+00 -3.015492774e+00 3.56 -2.959851649e+00 -2.959851649e+00 3.58 -2.904410809e+00 -2.904410809e+00 3.60 -2.849221836e+00 -2.849221836e+00 3.62 -2.794330627e+00 -2.794330627e+00 3.64 -2.739776664e+00 -2.739776664e+00 3.66 -2.685592536e+00 -2.685592536e+00 3.68 -2.631803832e+00 -2.631803832e+00 3.70 -2.578429434e+00 -2.578429434e+00 3.72 -2.525482248e+00 -2.525482248e+00 3.74 -2.472970370e+00 -2.472970370e+00 3.76 -2.420898615e+00 -2.420898615e+00 3.78 -2.369270274e+00 -2.369270274e+00 3.80 -2.318088887e+00 -2.318088887e+00 3.82 -2.267359774e+00 -2.267359774e+00 3.84 -2.217090996e+00 -2.217090996e+00 3.86 -2.167293547e+00 -2.167293547e+00 3.88 -2.117980654e+00 -2.117980654e+00 3.90 -2.069166317e+00 -2.069166317e+00 3.92 -2.020862134e+00 -2.020862134e+00 3.94 -1.973080835e+00 -1.973080835e+00 3.96 -1.925826435e+00 -1.925826435e+00 3.98 -1.879099764e+00 -1.879099764e+00 4.00 -1.832897327e+00 -1.832897327e+00 4.02 -1.787212587e+00 -1.787212587e+00 4.04 -1.742037742e+00 -1.742037742e+00 4.06 -1.697365656e+00 -1.697365656e+00 4.08 -1.653191618e+00 -1.653191618e+00 4.10 -1.609510837e+00 -1.609510837e+00 4.12 -1.566335689e+00 -1.566335689e+00 4.14 -1.523670535e+00 -1.523670535e+00 4.16 -1.481530033e+00 -1.481530033e+00 4.18 -1.439934363e+00 -1.439934363e+00 4.20 -1.398909188e+00 -1.398909188e+00 4.22 -1.358485549e+00 -1.358485549e+00 4.24 -1.318699664e+00 -1.318699664e+00 4.26 -1.279592490e+00 -1.279592490e+00 4.28 -1.241208893e+00 -1.241208893e+00 4.30 -1.203596275e+00 -1.203596275e+00 4.32 -1.166802617e+00 -1.166802617e+00 4.34 -1.130873990e+00 -1.130873990e+00 4.36 -1.095851741e+00 -1.095851741e+00 4.38 -1.061769653e+00 -1.061769653e+00 4.40 -1.028651435e+00 -1.028651435e+00 4.42 -9.965088190e-01 -9.965088190e-01 4.44 -9.653405206e-01 -9.653405206e-01 4.46 -9.351321036e-01 -9.351321036e-01 4.48 -9.058567255e-01 -9.058567255e-01 4.50 -8.774765948e-01 -8.774765948e-01 4.52 -8.499449290e-01 -8.499449290e-01 4.54 -8.232081844e-01 -8.232081844e-01 4.56 -7.972083521e-01 -7.972083521e-01 4.58 -7.718851611e-01 -7.718851611e-01 4.60 -7.471780810e-01 -7.471780810e-01 4.62 -7.230280673e-01 -7.230280673e-01 4.64 -6.993790262e-01 -6.993790262e-01 4.66 -6.761790063e-01 -6.761790063e-01 4.68 -6.533811366e-01 -6.533811366e-01 4.70 -6.309443395e-01 -6.309443395e-01 4.72 -6.088338526e-01 -6.088338526e-01 4.74 -5.870215948e-01 -5.870215948e-01 4.76 -5.654864164e-01 -5.654864164e-01 4.78 -5.442142690e-01 -5.442142690e-01 4.80 -5.231952822e-01 -5.231952822e-01 4.82 -5.024365737e-01 -5.024365737e-01 4.84 -4.819424002e-01 -4.819424002e-01 4.86 -4.617281132e-01 -4.617281132e-01 4.88 -4.418164064e-01 -4.418164064e-01 4.90 -4.222370461e-01 -4.222370461e-01 4.92 -4.030263228e-01 -4.030263228e-01 4.94 -3.842261431e-01 -3.842261431e-01 4.96 -3.658827113e-01 -3.658827113e-01 4.98 -3.480448054e-01 -3.480448054e-01 5.00 -3.307617111e-01 -3.307617111e-01 5.02 -3.140809441e-01 -3.140809441e-01 5.04 -2.980459362e-01 -2.980459362e-01 5.06 -2.826938825e-01 -2.826938825e-01 5.08 -2.680539400e-01 -2.680539400e-01 5.10 -2.541459264e-01 -2.541459264e-01 5.12 -2.409796124e-01 -2.409796124e-01 5.14 -2.285546276e-01 -2.285546276e-01 5.16 -2.168609371e-01 -2.168609371e-01 5.18 -2.058797947e-01 -2.058797947e-01 5.20 -1.955850439e-01 -1.955850439e-01 5.22 -1.859446314e-01 -1.859446314e-01 5.24 -1.769221985e-01 -1.769221985e-01 5.26 -1.684786432e-01 -1.684786432e-01 5.28 -1.605735647e-01 -1.605735647e-01 5.30 -1.531665332e-01 -1.531665332e-01 5.32 -1.462181544e-01 -1.462181544e-01 5.34 -1.396909148e-01 -1.396909148e-01 5.36 -1.335498052e-01 -1.335498052e-01 5.38 -1.277625458e-01 -1.277625458e-01 5.40 -1.223002465e-01 -1.223002465e-01 5.42 -1.171373417e-01 -1.171373417e-01 5.44 -1.122513133e-01 -1.122513133e-01 5.46 -1.076225057e-01 -1.076225057e-01 5.48 -1.032338383e-01 -1.032338383e-01 5.50 -9.907044148e-02 -9.907044148e-02 5.52 -9.511925386e-02 -9.511925386e-02 5.54 -9.136861566e-02 -9.136861566e-02 5.56 -8.780787836e-02 -8.780787836e-02 5.58 -8.442706794e-02 -8.442706794e-02 5.60 -8.121661471e-02 -8.121661471e-02 5.62 -7.816714790e-02 -7.816714790e-02 5.64 -7.526930539e-02 -7.526930539e-02 5.66 -7.251387694e-02 -7.251387694e-02 5.68 -6.989169062e-02 -6.989169062e-02 5.70 -6.739361359e-02 -6.739361359e-02 5.72 -6.501061655e-02 -6.501061655e-02 5.74 -6.273384605e-02 -6.273384605e-02 5.76 -6.055469438e-02 -6.055469438e-02 5.78 -5.846485991e-02 -5.846485991e-02 5.80 -5.645639394e-02 -5.645639394e-02 5.82 -5.452173298e-02 -5.452173298e-02 5.84 -5.265371722e-02 -5.265371722e-02 5.86 -5.084559723e-02 -5.084559723e-02 5.88 -4.909103196e-02 -4.909103196e-02 5.90 -4.738408123e-02 -4.738408123e-02 5.92 -4.571919574e-02 -4.571919574e-02 5.94 -4.409120781e-02 -4.409120781e-02 5.96 -4.249532518e-02 -4.249532518e-02 5.98 -4.092713008e-02 -4.092713008e-02 6.00 -3.938258683e-02 -3.938258683e-02