# 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 = AlAu2Pd # 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 2.782066743e+02 2.782066743e+02 1.30 2.585060386e+02 2.585060386e+02 1.32 2.402137122e+02 2.402137122e+02 1.34 2.232192484e+02 2.232192484e+02 1.36 2.074208738e+02 2.074208738e+02 1.38 1.927237259e+02 1.927237259e+02 1.40 1.790405485e+02 1.790405485e+02 1.42 1.662930166e+02 1.662930166e+02 1.44 1.544122525e+02 1.544122525e+02 1.46 1.433379393e+02 1.433379393e+02 1.48 1.330159126e+02 1.330159126e+02 1.50 1.233951280e+02 1.233951280e+02 1.52 1.144257339e+02 1.144257339e+02 1.54 1.060590675e+02 1.060590675e+02 1.56 9.824876406e+01 9.824876406e+01 1.58 9.095180362e+01 9.095180362e+01 1.60 8.412902065e+01 8.412902065e+01 1.62 7.774515857e+01 7.774515857e+01 1.64 7.176868798e+01 7.176868798e+01 1.66 6.617149465e+01 6.617149465e+01 1.68 6.092836702e+01 6.092836702e+01 1.70 5.602409384e+01 5.602409384e+01 1.72 5.145569666e+01 5.145569666e+01 1.74 4.720643716e+01 4.720643716e+01 1.76 4.326410163e+01 4.326410163e+01 1.78 3.960725951e+01 3.960725951e+01 1.80 3.621432113e+01 3.621432113e+01 1.82 3.306528991e+01 3.306528991e+01 1.84 3.014188239e+01 3.014188239e+01 1.86 2.742753965e+01 2.742753965e+01 1.88 2.490742515e+01 2.490742515e+01 1.90 2.256834348e+01 2.256834348e+01 1.92 2.039853799e+01 2.039853799e+01 1.94 1.838737979e+01 1.838737979e+01 1.96 1.652501709e+01 1.652501709e+01 1.98 1.480207581e+01 1.480207581e+01 2.00 1.320947446e+01 1.320947446e+01 2.02 1.173836303e+01 1.173836303e+01 2.04 1.038015550e+01 1.038015550e+01 2.06 9.126611289e+00 9.126611289e+00 2.08 7.969923695e+00 7.969923695e+00 2.10 6.902785869e+00 6.902785869e+00 2.12 5.918422440e+00 5.918422440e+00 2.14 5.010589816e+00 5.010589816e+00 2.16 4.173555118e+00 4.173555118e+00 2.18 3.402064495e+00 3.402064495e+00 2.20 2.691309075e+00 2.691309075e+00 2.22 2.036892803e+00 2.036892803e+00 2.24 1.434802624e+00 1.434802624e+00 2.26 8.813793884e-01 8.813793884e-01 2.28 3.732879410e-01 3.732879410e-01 2.30 -9.251401637e-02 -9.251401637e-02 2.32 -5.188078109e-01 -5.188078109e-01 2.34 -9.081455206e-01 -9.081455206e-01 2.36 -1.262880548e+00 -1.262880548e+00 2.38 -1.585196185e+00 -1.585196185e+00 2.40 -1.877131699e+00 -1.877131699e+00 2.42 -2.140606183e+00 -2.140606183e+00 2.44 -2.377440780e+00 -2.377440780e+00 2.46 -2.589379523e+00 -2.589379523e+00 2.48 -2.778107609e+00 -2.778107609e+00 2.50 -2.945264792e+00 -2.945264792e+00 2.52 -3.092452056e+00 -3.092452056e+00 2.54 -3.221231964e+00 -3.221231964e+00 2.56 -3.333125145e+00 -3.333125145e+00 2.58 -3.429605067e+00 -3.429605067e+00 2.60 -3.512090439e+00 -3.512090439e+00 2.62 -3.581932292e+00 -3.581932292e+00 2.64 -3.640394032e+00 -3.640394032e+00 2.66 -3.688627270e+00 -3.688627270e+00 2.68 -3.727728951e+00 -3.727728951e+00 2.70 -3.758640415e+00 -3.758640415e+00 2.72 -3.782196063e+00 -3.782196063e+00 2.74 -3.799118824e+00 -3.799118824e+00 2.76 -3.810296314e+00 -3.810296314e+00 2.78 -3.815759561e+00 -3.815759561e+00 2.80 -3.815499402e+00 -3.815499402e+00 2.82 -3.809563317e+00 -3.809563317e+00 2.84 -3.798049706e+00 -3.798049706e+00 2.86 -3.781095805e+00 -3.781095805e+00 2.88 -3.758879523e+00 -3.758879523e+00 2.90 -3.731651754e+00 -3.731651754e+00 2.92 -3.699720364e+00 -3.699720364e+00 2.94 -3.663422759e+00 -3.663422759e+00 2.96 -3.623113359e+00 -3.623113359e+00 2.98 -3.579162117e+00 -3.579162117e+00 3.00 -3.531954066e+00 -3.531954066e+00 3.02 -3.481888916e+00 -3.481888916e+00 3.04 -3.429378877e+00 -3.429378877e+00 3.06 -3.374842797e+00 -3.374842797e+00 3.08 -3.318695534e+00 -3.318695534e+00 3.10 -3.261333572e+00 -3.261333572e+00 3.12 -3.203119439e+00 -3.203119439e+00 3.14 -3.144368502e+00 -3.144368502e+00 3.16 -3.085340884e+00 -3.085340884e+00 3.18 -3.026239887e+00 -3.026239887e+00 3.20 -2.967216247e+00 -2.967216247e+00 3.22 -2.908376432e+00 -2.908376432e+00 3.24 -2.849792799e+00 -2.849792799e+00 3.26 -2.791513714e+00 -2.791513714e+00 3.28 -2.733572425e+00 -2.733572425e+00 3.30 -2.675994121e+00 -2.675994121e+00 3.32 -2.618801114e+00 -2.618801114e+00 3.34 -2.562016321e+00 -2.562016321e+00 3.36 -2.505665371e+00 -2.505665371e+00 3.38 -2.449777623e+00 -2.449777623e+00 3.40 -2.394386373e+00 -2.394386373e+00 3.42 -2.339528477e+00 -2.339528477e+00 3.44 -2.285243538e+00 -2.285243538e+00 3.46 -2.231572859e+00 -2.231572859e+00 3.48 -2.178558237e+00 -2.178558237e+00 3.50 -2.126240737e+00 -2.126240737e+00 3.52 -2.074659513e+00 -2.074659513e+00 3.54 -2.023850744e+00 -2.023850744e+00 3.56 -1.973846727e+00 -1.973846727e+00 3.58 -1.924675137e+00 -1.924675137e+00 3.60 -1.876358472e+00 -1.876358472e+00 3.62 -1.828913674e+00 -1.828913674e+00 3.64 -1.782351905e+00 -1.782351905e+00 3.66 -1.736678477e+00 -1.736678477e+00 3.68 -1.691892927e+00 -1.691892927e+00 3.70 -1.647989208e+00 -1.647989208e+00 3.72 -1.604956017e+00 -1.604956017e+00 3.74 -1.562777231e+00 -1.562777231e+00 3.76 -1.521432453e+00 -1.521432453e+00 3.78 -1.480897650e+00 -1.480897650e+00 3.80 -1.441145873e+00 -1.441145873e+00 3.82 -1.402148013e+00 -1.402148013e+00 3.84 -1.363873605e+00 -1.363873605e+00 3.86 -1.326291604e+00 -1.326291604e+00 3.88 -1.289371143e+00 -1.289371143e+00 3.90 -1.253082241e+00 -1.253082241e+00 3.92 -1.217396431e+00 -1.217396431e+00 3.94 -1.182287345e+00 -1.182287345e+00 3.96 -1.147731191e+00 -1.147731191e+00 3.98 -1.113707201e+00 -1.113707201e+00 4.00 -1.080198007e+00 -1.080198007e+00 4.02 -1.047189960e+00 -1.047189960e+00 4.04 -1.014673385e+00 -1.014673385e+00 4.06 -9.826427627e-01 -9.826427627e-01 4.08 -9.510968146e-01 -9.510968146e-01 4.10 -9.200384860e-01 -9.200384860e-01 4.12 -8.894748850e-01 -8.894748850e-01 4.14 -8.594170417e-01 -8.594170417e-01 4.16 -8.298797525e-01 -8.298797525e-01 4.18 -8.008813668e-01 -8.008813668e-01 4.20 -7.724436045e-01 -7.724436045e-01 4.22 -7.445913659e-01 -7.445913659e-01 4.24 -7.173524570e-01 -7.173524570e-01 4.26 -6.907571147e-01 -6.907571147e-01 4.28 -6.648372071e-01 -6.648372071e-01 4.30 -6.396250163e-01 -6.396250163e-01 4.32 -6.151515874e-01 -6.151515874e-01 4.34 -5.914447275e-01 -5.914447275e-01 4.36 -5.685268415e-01 -5.685268415e-01 4.38 -5.464128563e-01 -5.464128563e-01 4.40 -5.251085027e-01 -5.251085027e-01 4.42 -5.046091824e-01 -5.046091824e-01 4.44 -4.848995564e-01 -4.848995564e-01 4.46 -4.659538851e-01 -4.659538851e-01 4.48 -4.477370409e-01 -4.477370409e-01 4.50 -4.302060450e-01 -4.302060450e-01 4.52 -4.133119358e-01 -4.133119358e-01 4.54 -3.970017809e-01 -3.970017809e-01 4.56 -3.812206706e-01 -3.812206706e-01 4.58 -3.659135715e-01 -3.659135715e-01 4.60 -3.510269658e-01 -3.510269658e-01 4.62 -3.365102391e-01 -3.365102391e-01 4.64 -3.223168076e-01 -3.223168076e-01 4.66 -3.084049944e-01 -3.084049944e-01 4.68 -2.947386735e-01 -2.947386735e-01 4.70 -2.812877053e-01 -2.812877053e-01 4.72 -2.680281902e-01 -2.680281902e-01 4.74 -2.549425690e-01 -2.549425690e-01 4.76 -2.420196043e-01 -2.420196043e-01 4.78 -2.292542759e-01 -2.292542759e-01 4.80 -2.166476194e-01 -2.166476194e-01 4.82 -2.042065724e-01 -2.042065724e-01 4.84 -1.919437369e-01 -1.919437369e-01 4.86 -1.798771879e-01 -1.798771879e-01 4.88 -1.680301838e-01 -1.680301838e-01 4.90 -1.564307693e-01 -1.564307693e-01 4.92 -1.451111956e-01 -1.451111956e-01 4.94 -1.341070999e-01 -1.341070999e-01 4.96 -1.234564065e-01 -1.234564065e-01 4.98 -1.131979561e-01 -1.131979561e-01 5.00 -1.033699131e-01 -1.033699131e-01 5.02 -9.400805259e-02 -9.400805259e-02 5.04 -8.514406015e-02 -8.514406015e-02 5.06 -7.680399162e-02 -7.680399162e-02 5.08 -6.900703402e-02 -6.900703402e-02 5.10 -6.176467292e-02 -6.176467292e-02 5.12 -5.508032243e-02 -5.508032243e-02 5.14 -4.894942704e-02 -4.894942704e-02 5.16 -4.335998641e-02 -4.335998641e-02 5.18 -3.829342156e-02 -3.829342156e-02 5.20 -3.372565295e-02 -3.372565295e-02 5.22 -2.962805414e-02 -2.962805414e-02 5.24 -2.596943908e-02 -2.596943908e-02 5.26 -2.271687965e-02 -2.271687965e-02 5.28 -1.983647014e-02 -1.983647014e-02 5.30 -1.729425525e-02 -1.729425525e-02 5.32 -1.505771231e-02 -1.505771231e-02 5.34 -1.309565452e-02 -1.309565452e-02 5.36 -1.137863834e-02 -1.137863834e-02 5.38 -9.879262337e-03 -9.879262337e-03 5.40 -8.572330137e-03 -8.572330137e-03 5.42 -7.434906468e-03 -7.434906468e-03 5.44 -6.446292486e-03 -6.446292486e-03 5.46 -5.587943260e-03 -5.587943260e-03 5.48 -4.843346261e-03 -4.843346261e-03 5.50 -4.197875982e-03 -4.197875982e-03 5.52 -3.638636315e-03 -3.638636315e-03 5.54 -3.154299366e-03 -3.154299366e-03 5.56 -2.734946910e-03 -2.734946910e-03 5.58 -2.371918699e-03 -2.371918699e-03 5.60 -2.057670319e-03 -2.057670319e-03 5.62 -1.785642090e-03 -1.785642090e-03 5.64 -1.550139682e-03 -1.550139682e-03 5.66 -1.346226491e-03 -1.346226491e-03 5.68 -1.169627422e-03 -1.169627422e-03 5.70 -1.016643437e-03 -1.016643437e-03 5.72 -8.840761018e-04 -8.840761018e-04 5.74 -7.691612629e-04 -7.691612629e-04 5.76 -6.695109716e-04 -6.695109716e-04 5.78 -5.830627995e-04 -5.830627995e-04 5.80 -5.080357199e-04 -5.080357199e-04 5.82 -4.428917891e-04 -4.428917891e-04 5.84 -3.863029274e-04 -3.863029274e-04 5.86 -3.371221641e-04 -3.371221641e-04 5.88 -2.943587772e-04 -2.943587772e-04 5.90 -2.571568220e-04 -2.571568220e-04 5.92 -2.247766006e-04 -2.247766006e-04 5.94 -1.965786794e-04 -1.965786794e-04 5.96 -1.720101114e-04 -1.720101114e-04 5.98 -1.505925610e-04 -1.505925610e-04 6.00 -1.319120736e-04 -1.319120736e-04