# 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 = AuCu2Ni # 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 1.487554184e+02 1.487554184e+02 1.30 1.368677734e+02 1.368677734e+02 1.32 1.259023465e+02 1.259023465e+02 1.34 1.157846832e+02 1.157846832e+02 1.36 1.064460345e+02 1.064460345e+02 1.38 9.782339412e+01 9.782339412e+01 1.40 8.985924798e+01 8.985924798e+01 1.42 8.250094427e+01 8.250094427e+01 1.44 7.569997900e+01 7.569997900e+01 1.46 6.941150455e+01 6.941150455e+01 1.48 6.359420757e+01 6.359420757e+01 1.50 5.821038265e+01 5.821038265e+01 1.52 5.322585658e+01 5.322585658e+01 1.54 4.860957557e+01 4.860957557e+01 1.56 4.433296193e+01 4.433296193e+01 1.58 4.036940021e+01 4.036940021e+01 1.60 3.670275114e+01 3.670275114e+01 1.62 3.331703199e+01 3.331703199e+01 1.64 3.019053504e+01 3.019053504e+01 1.66 2.730394790e+01 2.730394790e+01 1.68 2.464006955e+01 2.464006955e+01 1.70 2.218322363e+01 2.218322363e+01 1.72 1.991890151e+01 1.991890151e+01 1.74 1.783354957e+01 1.783354957e+01 1.76 1.591439350e+01 1.591439350e+01 1.78 1.414927915e+01 1.414927915e+01 1.80 1.252658750e+01 1.252658750e+01 1.82 1.103528060e+01 1.103528060e+01 1.84 9.665031022e+00 9.665031022e+00 1.86 8.406312592e+00 8.406312592e+00 1.88 7.250379105e+00 7.250379105e+00 1.90 6.189159914e+00 6.189159914e+00 1.92 5.215151207e+00 5.215151207e+00 1.94 4.321364609e+00 4.321364609e+00 1.96 3.501344953e+00 3.501344953e+00 1.98 2.749221982e+00 2.749221982e+00 2.00 2.059742996e+00 2.059742996e+00 2.02 1.428251865e+00 1.428251865e+00 2.04 8.506142683e-01 8.506142683e-01 2.06 3.231137647e-01 3.231137647e-01 2.08 -1.576507606e-01 -1.576507606e-01 2.10 -5.948444243e-01 -5.948444243e-01 2.12 -9.914457940e-01 -9.914457940e-01 2.14 -1.350272944e+00 -1.350272944e+00 2.16 -1.673997866e+00 -1.673997866e+00 2.18 -1.965158283e+00 -1.965158283e+00 2.20 -2.226169690e+00 -2.226169690e+00 2.22 -2.459336155e+00 -2.459336155e+00 2.24 -2.666858800e+00 -2.666858800e+00 2.26 -2.850844198e+00 -2.850844198e+00 2.28 -3.013315951e+00 -3.013315951e+00 2.30 -3.156227649e+00 -3.156227649e+00 2.32 -3.281467173e+00 -3.281467173e+00 2.34 -3.390839686e+00 -3.390839686e+00 2.36 -3.486026001e+00 -3.486026001e+00 2.38 -3.568529577e+00 -3.568529577e+00 2.40 -3.639636069e+00 -3.639636069e+00 2.42 -3.700401712e+00 -3.700401712e+00 2.44 -3.751682414e+00 -3.751682414e+00 2.46 -3.794181095e+00 -3.794181095e+00 2.48 -3.828503256e+00 -3.828503256e+00 2.50 -3.855269784e+00 -3.855269784e+00 2.52 -3.874945006e+00 -3.874945006e+00 2.54 -3.887919748e+00 -3.887919748e+00 2.56 -3.894503919e+00 -3.894503919e+00 2.58 -3.895457631e+00 -3.895457631e+00 2.60 -3.890884945e+00 -3.890884945e+00 2.62 -3.880685256e+00 -3.880685256e+00 2.64 -3.864884997e+00 -3.864884997e+00 2.66 -3.843614022e+00 -3.843614022e+00 2.68 -3.817092761e+00 -3.817092761e+00 2.70 -3.785625996e+00 -3.785625996e+00 2.72 -3.749594876e+00 -3.749594876e+00 2.74 -3.709481192e+00 -3.709481192e+00 2.76 -3.665800633e+00 -3.665800633e+00 2.78 -3.619043476e+00 -3.619043476e+00 2.80 -3.569649655e+00 -3.569649655e+00 2.82 -3.517992973e+00 -3.517992973e+00 2.84 -3.464377193e+00 -3.464377193e+00 2.86 -3.409043200e+00 -3.409043200e+00 2.88 -3.352183446e+00 -3.352183446e+00 2.90 -3.293959023e+00 -3.293959023e+00 2.92 -3.234515510e+00 -3.234515510e+00 2.94 -3.173995405e+00 -3.173995405e+00 2.96 -3.112546450e+00 -3.112546450e+00 2.98 -3.050326087e+00 -3.050326087e+00 3.00 -2.987502636e+00 -2.987502636e+00 3.02 -2.924253785e+00 -2.924253785e+00 3.04 -2.860762826e+00 -2.860762826e+00 3.06 -2.797213116e+00 -2.797213116e+00 3.08 -2.733781405e+00 -2.733781405e+00 3.10 -2.670630933e+00 -2.670630933e+00 3.12 -2.607905380e+00 -2.607905380e+00 3.14 -2.545724594e+00 -2.545724594e+00 3.16 -2.484182655e+00 -2.484182655e+00 3.18 -2.423348293e+00 -2.423348293e+00 3.20 -2.363267250e+00 -2.363267250e+00 3.22 -2.303965920e+00 -2.303965920e+00 3.24 -2.245455643e+00 -2.245455643e+00 3.26 -2.187737096e+00 -2.187737096e+00 3.28 -2.130804456e+00 -2.130804456e+00 3.30 -2.074649070e+00 -2.074649070e+00 3.32 -2.019262498e+00 -2.019262498e+00 3.34 -1.964638805e+00 -1.964638805e+00 3.36 -1.910776039e+00 -1.910776039e+00 3.38 -1.857676873e+00 -1.857676873e+00 3.40 -1.805348463e+00 -1.805348463e+00 3.42 -1.753801648e+00 -1.753801648e+00 3.44 -1.703049665e+00 -1.703049665e+00 3.46 -1.653106591e+00 -1.653106591e+00 3.48 -1.603985748e+00 -1.603985748e+00 3.50 -1.555698231e+00 -1.555698231e+00 3.52 -1.508251736e+00 -1.508251736e+00 3.54 -1.461649749e+00 -1.461649749e+00 3.56 -1.415891157e+00 -1.415891157e+00 3.58 -1.370970285e+00 -1.370970285e+00 3.60 -1.326877329e+00 -1.326877329e+00 3.62 -1.283599185e+00 -1.283599185e+00 3.64 -1.241120633e+00 -1.241120633e+00 3.66 -1.199425868e+00 -1.199425868e+00 3.68 -1.158500343e+00 -1.158500343e+00 3.70 -1.118332856e+00 -1.118332856e+00 3.72 -1.078917768e+00 -1.078917768e+00 3.74 -1.040257167e+00 -1.040257167e+00 3.76 -1.002362701e+00 -1.002362701e+00 3.78 -9.652567673e-01 -9.652567673e-01 3.80 -9.289727050e-01 -9.289727050e-01 3.82 -8.935537118e-01 -8.935537118e-01 3.84 -8.590503528e-01 -8.590503528e-01 3.86 -8.255167488e-01 -8.255167488e-01 3.88 -7.930057910e-01 -7.930057910e-01 3.90 -7.615639587e-01 -7.615639587e-01 3.92 -7.312264320e-01 -7.312264320e-01 3.94 -7.020131764e-01 -7.020131764e-01 3.96 -6.739264885e-01 -6.739264885e-01 3.98 -6.469502343e-01 -6.469502343e-01 4.00 -6.210507047e-01 -6.210507047e-01 4.02 -5.961787791e-01 -5.961787791e-01 4.04 -5.722729501e-01 -5.722729501e-01 4.06 -5.492627445e-01 -5.492627445e-01 4.08 -5.270721435e-01 -5.270721435e-01 4.10 -5.056227254e-01 -5.056227254e-01 4.12 -4.848363932e-01 -4.848363932e-01 4.14 -4.646376385e-01 -4.646376385e-01 4.16 -4.449554033e-01 -4.449554033e-01 4.18 -4.257246101e-01 -4.257246101e-01 4.20 -4.068874567e-01 -4.068874567e-01 4.22 -3.883945540e-01 -3.883945540e-01 4.24 -3.702059542e-01 -3.702059542e-01 4.26 -3.522920871e-01 -3.522920871e-01 4.28 -3.346345807e-01 -3.346345807e-01 4.30 -3.172269117e-01 -3.172269117e-01 4.32 -3.000748021e-01 -3.000748021e-01 4.34 -2.831962578e-01 -2.831962578e-01 4.36 -2.666211360e-01 -2.666211360e-01 4.38 -2.503901358e-01 -2.503901358e-01 4.40 -2.345531352e-01 -2.345531352e-01 4.42 -2.191668537e-01 -2.191668537e-01 4.44 -2.042918952e-01 -2.042918952e-01 4.46 -1.899893231e-01 -1.899893231e-01 4.48 -1.763170091e-01 -1.763170091e-01 4.50 -1.633260663e-01 -1.633260663e-01 4.52 -1.510577004e-01 -1.510577004e-01 4.54 -1.395407821e-01 -1.395407821e-01 4.56 -1.287903590e-01 -1.287903590e-01 4.58 -1.188072024e-01 -1.188072024e-01 4.60 -1.095783564e-01 -1.095783564e-01 4.62 -1.010785390e-01 -1.010785390e-01 4.64 -9.327216703e-02 -9.327216703e-02 4.66 -8.611574464e-02 -8.611574464e-02 4.68 -7.956036657e-02 -7.956036657e-02 4.70 -7.355412738e-02 -7.355412738e-02 4.72 -6.804407053e-02 -6.804407053e-02 4.74 -6.297822962e-02 -6.297822962e-02 4.76 -5.830758282e-02 -5.830758282e-02 4.78 -5.398660731e-02 -5.398660731e-02 4.80 -4.997392537e-02 -4.997392537e-02 4.82 -4.623284545e-02 -4.623284545e-02 4.84 -4.273162291e-02 -4.273162291e-02 4.86 -3.944350434e-02 -3.944350434e-02 4.88 -3.634658860e-02 -3.634658860e-02 4.90 -3.342354067e-02 -3.342354067e-02 4.92 -3.066118293e-02 -3.066118293e-02 4.94 -2.804998584e-02 -2.804998584e-02 4.96 -2.558348022e-02 -2.558348022e-02 4.98 -2.325761600e-02 -2.325761600e-02 5.00 -2.107009616e-02 -2.107009616e-02 5.02 -1.901972106e-02 -1.901972106e-02 5.04 -1.710577565e-02 -1.710577565e-02 5.06 -1.532749249e-02 -1.532749249e-02 5.08 -1.368361690e-02 -1.368361690e-02 5.10 -1.217198675e-02 -1.217198675e-02 5.12 -1.078938700e-02 -1.078938700e-02 5.14 -9.531857426e-03 -9.531857426e-03 5.16 -8.394363673e-03 -8.394363673e-03 5.18 -7.370909156e-03 -7.370909156e-03 5.20 -6.454719881e-03 -6.454719881e-03 5.22 -5.638459250e-03 -5.638459250e-03 5.24 -4.914450083e-03 -4.914450083e-03 5.26 -4.274885763e-03 -4.274885763e-03 5.28 -3.712017846e-03 -3.712017846e-03 5.30 -3.218312656e-03 -3.218312656e-03 5.32 -2.786573850e-03 -2.786573850e-03 5.34 -2.410031401e-03 -2.410031401e-03 5.36 -2.082399788e-03 -2.082399788e-03 5.38 -1.797909564e-03 -1.797909564e-03 5.40 -1.551317125e-03 -1.551317125e-03 5.42 -1.337897448e-03 -1.337897448e-03 5.44 -1.153424302e-03 -1.153424302e-03 5.46 -9.941417847e-04 -9.941417847e-04 5.48 -8.567304482e-04 -8.567304482e-04 5.50 -7.382705797e-04 -7.382705797e-04 5.52 -6.362046069e-04 -6.362046069e-04 5.54 -5.483000716e-04 -5.483000716e-04 5.56 -4.726141690e-04 -4.726141690e-04 5.58 -4.074604989e-04 -4.074604989e-04 5.60 -3.513784037e-04 -3.513784037e-04 5.62 -3.031050617e-04 -3.031050617e-04 5.64 -2.615503569e-04 -2.615503569e-04 5.66 -2.257744476e-04 -2.257744476e-04 5.68 -1.949678860e-04 -1.949678860e-04 5.70 -1.684341057e-04 -1.684341057e-04 5.72 -1.455740709e-04 -1.455740709e-04 5.74 -1.258728770e-04 -1.258728770e-04 5.76 -1.088880952e-04 -1.088880952e-04 5.78 -9.423966412e-05 -9.423966412e-05 5.80 -8.160114438e-05 -8.160114438e-05 5.82 -7.069216735e-05 -7.069216735e-05 5.84 -6.127192664e-05 -6.127192664e-05 5.86 -5.313357574e-05 -5.313357574e-05 5.88 -4.609941114e-05 -4.609941114e-05 5.90 -4.001673467e-05 -4.001673467e-05 5.92 -3.475430180e-05 -3.475430180e-05 5.94 -3.019927456e-05 -3.019927456e-05 5.96 -2.625460851e-05 -2.625460851e-05 5.98 -2.283681259e-05 -2.283681259e-05 6.00 -1.987402898e-05 -1.987402898e-05