# 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 = NiPdZr2 # 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 3.161647403e+02 3.161647403e+02 1.30 2.938022219e+02 2.938022219e+02 1.32 2.730579383e+02 2.730579383e+02 1.34 2.538044091e+02 2.538044091e+02 1.36 2.359244367e+02 2.359244367e+02 1.38 2.193107669e+02 2.193107669e+02 1.40 2.038657321e+02 2.038657321e+02 1.42 1.895005944e+02 1.895005944e+02 1.44 1.761347076e+02 1.761347076e+02 1.46 1.636943489e+02 1.636943489e+02 1.48 1.521115131e+02 1.521115131e+02 1.50 1.413231863e+02 1.413231863e+02 1.52 1.312711325e+02 1.312711325e+02 1.54 1.219016259e+02 1.219016259e+02 1.56 1.131650450e+02 1.131650450e+02 1.58 1.050153433e+02 1.050153433e+02 1.60 9.740972996e+01 9.740972996e+01 1.62 9.030859514e+01 9.030859514e+01 1.64 8.367565465e+01 8.367565465e+01 1.66 7.747793065e+01 7.747793065e+01 1.68 7.168552589e+01 7.168552589e+01 1.70 6.627127010e+01 6.627127010e+01 1.72 6.121024341e+01 6.121024341e+01 1.74 5.647932371e+01 5.647932371e+01 1.76 5.205684125e+01 5.205684125e+01 1.78 4.792240187e+01 4.792240187e+01 1.80 4.405682457e+01 4.405682457e+01 1.82 4.044211678e+01 4.044211678e+01 1.84 3.706145401e+01 3.706145401e+01 1.86 3.389919581e+01 3.389919581e+01 1.88 3.094082697e+01 3.094082697e+01 1.90 2.817343818e+01 2.817343818e+01 1.92 2.558511980e+01 2.558511980e+01 1.94 2.316409986e+01 2.316409986e+01 1.96 2.090388089e+01 2.090388089e+01 1.98 1.880236967e+01 1.880236967e+01 2.00 1.684917242e+01 1.684917242e+01 2.02 1.503448911e+01 1.503448911e+01 2.04 1.334923135e+01 1.334923135e+01 2.06 1.178490815e+01 1.178490815e+01 2.08 1.033353446e+01 1.033353446e+01 2.10 8.987589567e+00 8.987589567e+00 2.12 7.739983039e+00 7.739983039e+00 2.14 6.584049245e+00 6.584049245e+00 2.16 5.513552786e+00 5.513552786e+00 2.18 4.522680391e+00 4.522680391e+00 2.20 3.606035649e+00 3.606035649e+00 2.22 2.758596054e+00 2.758596054e+00 2.24 1.975678981e+00 1.975678981e+00 2.26 1.252920384e+00 1.252920384e+00 2.28 5.862515933e-01 5.862515933e-01 2.30 -2.808343489e-02 -2.808343489e-02 2.32 -5.935702851e-01 -5.935702851e-01 2.34 -1.113435990e+00 -1.113435990e+00 2.36 -1.590695177e+00 -1.590695177e+00 2.38 -2.028179465e+00 -2.028179465e+00 2.40 -2.428562227e+00 -2.428562227e+00 2.42 -2.794386113e+00 -2.794386113e+00 2.44 -3.128073387e+00 -3.128073387e+00 2.46 -3.431944802e+00 -3.431944802e+00 2.48 -3.708218406e+00 -3.708218406e+00 2.50 -3.958996914e+00 -3.958996914e+00 2.52 -4.186246308e+00 -4.186246308e+00 2.54 -4.391773511e+00 -4.391773511e+00 2.56 -4.577210949e+00 -4.577210949e+00 2.58 -4.744013674e+00 -4.744013674e+00 2.60 -4.893471296e+00 -4.893471296e+00 2.62 -5.026729924e+00 -5.026729924e+00 2.64 -5.144834725e+00 -5.144834725e+00 2.66 -5.248743276e+00 -5.248743276e+00 2.68 -5.339429125e+00 -5.339429125e+00 2.70 -5.417817991e+00 -5.417817991e+00 2.72 -5.484637324e+00 -5.484637324e+00 2.74 -5.540618496e+00 -5.540618496e+00 2.76 -5.586488896e+00 -5.586488896e+00 2.78 -5.622953557e+00 -5.622953557e+00 2.80 -5.650692215e+00 -5.650692215e+00 2.82 -5.670330585e+00 -5.670330585e+00 2.84 -5.682439885e+00 -5.682439885e+00 2.86 -5.687371171e+00 -5.687371171e+00 2.88 -5.685341139e+00 -5.685341139e+00 2.90 -5.676599197e+00 -5.676599197e+00 2.92 -5.661428058e+00 -5.661428058e+00 2.94 -5.640137899e+00 -5.640137899e+00 2.96 -5.613057454e+00 -5.613057454e+00 2.98 -5.580525264e+00 -5.580525264e+00 3.00 -5.542882473e+00 -5.542882473e+00 3.02 -5.500465887e+00 -5.500465887e+00 3.04 -5.453599442e+00 -5.453599442e+00 3.06 -5.402611199e+00 -5.402611199e+00 3.08 -5.347855023e+00 -5.347855023e+00 3.10 -5.289858108e+00 -5.289858108e+00 3.12 -5.228848910e+00 -5.228848910e+00 3.14 -5.165011043e+00 -5.165011043e+00 3.16 -5.098483142e+00 -5.098483142e+00 3.18 -5.029432646e+00 -5.029432646e+00 3.20 -4.958052958e+00 -4.958052958e+00 3.22 -4.884557403e+00 -4.884557403e+00 3.24 -4.809174521e+00 -4.809174521e+00 3.26 -4.732145072e+00 -4.732145072e+00 3.28 -4.653726612e+00 -4.653726612e+00 3.30 -4.574206702e+00 -4.574206702e+00 3.32 -4.493874494e+00 -4.493874494e+00 3.34 -4.413006307e+00 -4.413006307e+00 3.36 -4.331855964e+00 -4.331855964e+00 3.38 -4.250645537e+00 -4.250645537e+00 3.40 -4.169557207e+00 -4.169557207e+00 3.42 -4.088738529e+00 -4.088738529e+00 3.44 -4.008292925e+00 -4.008292925e+00 3.46 -3.928293371e+00 -3.928293371e+00 3.48 -3.848787082e+00 -3.848787082e+00 3.50 -3.769802540e+00 -3.769802540e+00 3.52 -3.691355663e+00 -3.691355663e+00 3.54 -3.613454668e+00 -3.613454668e+00 3.56 -3.536103609e+00 -3.536103609e+00 3.58 -3.459304723e+00 -3.459304723e+00 3.60 -3.383059866e+00 -3.383059866e+00 3.62 -3.307371285e+00 -3.307371285e+00 3.64 -3.232242024e+00 -3.232242024e+00 3.66 -3.157676213e+00 -3.157676213e+00 3.68 -3.083679521e+00 -3.083679521e+00 3.70 -3.010260006e+00 -3.010260006e+00 3.72 -2.937429549e+00 -2.937429549e+00 3.74 -2.865205923e+00 -2.865205923e+00 3.76 -2.793615414e+00 -2.793615414e+00 3.78 -2.722695673e+00 -2.722695673e+00 3.80 -2.652498289e+00 -2.652498289e+00 3.82 -2.583090403e+00 -2.583090403e+00 3.84 -2.514554647e+00 -2.514554647e+00 3.86 -2.446986881e+00 -2.446986881e+00 3.88 -2.380491548e+00 -2.380491548e+00 3.90 -2.315175032e+00 -2.315175032e+00 3.92 -2.251134493e+00 -2.251134493e+00 3.94 -2.188464893e+00 -2.188464893e+00 3.96 -2.127230062e+00 -2.127230062e+00 3.98 -2.067475374e+00 -2.067475374e+00 4.00 -2.009222731e+00 -2.009222731e+00 4.02 -1.952472420e+00 -1.952472420e+00 4.04 -1.897206817e+00 -1.897206817e+00 4.06 -1.843395000e+00 -1.843395000e+00 4.08 -1.790997421e+00 -1.790997421e+00 4.10 -1.739962767e+00 -1.739962767e+00 4.12 -1.690261240e+00 -1.690261240e+00 4.14 -1.641838970e+00 -1.641838970e+00 4.16 -1.594652569e+00 -1.594652569e+00 4.18 -1.548660508e+00 -1.548660508e+00 4.20 -1.503822939e+00 -1.503822939e+00 4.22 -1.460101318e+00 -1.460101318e+00 4.24 -1.417458073e+00 -1.417458073e+00 4.26 -1.375856455e+00 -1.375856455e+00 4.28 -1.335260674e+00 -1.335260674e+00 4.30 -1.295636294e+00 -1.295636294e+00 4.32 -1.256950868e+00 -1.256950868e+00 4.34 -1.219174689e+00 -1.219174689e+00 4.36 -1.182281566e+00 -1.182281566e+00 4.38 -1.146249487e+00 -1.146249487e+00 4.40 -1.111061069e+00 -1.111061069e+00 4.42 -1.076703685e+00 -1.076703685e+00 4.44 -1.043169219e+00 -1.043169219e+00 4.46 -1.010453424e+00 -1.010453424e+00 4.48 -9.785549387e-01 -9.785549387e-01 4.50 -9.474740447e-01 -9.474740447e-01 4.52 -9.172113337e-01 -9.172113337e-01 4.54 -8.877664406e-01 -8.877664406e-01 4.56 -8.591370188e-01 -8.591370188e-01 4.58 -8.313180866e-01 -8.313180866e-01 4.60 -8.043018097e-01 -8.043018097e-01 4.62 -7.780777168e-01 -7.780777168e-01 4.64 -7.526332704e-01 -7.526332704e-01 4.66 -7.279546670e-01 -7.279546670e-01 4.68 -7.040277134e-01 -7.040277134e-01 4.70 -6.808386271e-01 -6.808386271e-01 4.72 -6.583746370e-01 -6.583746370e-01 4.74 -6.366242979e-01 -6.366242979e-01 4.76 -6.155774893e-01 -6.155774893e-01 4.78 -5.952251129e-01 -5.952251129e-01 4.80 -5.755523860e-01 -5.755523860e-01 4.82 -5.565638734e-01 -5.565638734e-01 4.84 -5.382424416e-01 -5.382424416e-01 4.86 -5.205767932e-01 -5.205767932e-01 4.88 -5.035535182e-01 -5.035535182e-01 4.90 -4.871567741e-01 -4.871567741e-01 4.92 -4.713681833e-01 -4.713681833e-01 4.94 -4.561669356e-01 -4.561669356e-01 4.96 -4.415300628e-01 -4.415300628e-01 4.98 -4.274328348e-01 -4.274328348e-01 5.00 -4.138492247e-01 -4.138492247e-01 5.02 -4.007523940e-01 -4.007523940e-01 5.04 -3.881151584e-01 -3.881151584e-01 5.06 -3.759104064e-01 -3.759104064e-01 5.08 -3.641114559e-01 -3.641114559e-01 5.10 -3.526923455e-01 -3.526923455e-01 5.12 -3.416280628e-01 -3.416280628e-01 5.14 -3.308947232e-01 -3.308947232e-01 5.16 -3.204697085e-01 -3.204697085e-01 5.18 -3.103317843e-01 -3.103317843e-01 5.20 -3.004612066e-01 -3.004612066e-01 5.22 -2.908398315e-01 -2.908398315e-01 5.24 -2.814512372e-01 -2.814512372e-01 5.26 -2.722808614e-01 -2.722808614e-01 5.28 -2.633161551e-01 -2.633161551e-01 5.30 -2.545467465e-01 -2.545467465e-01 5.32 -2.459646018e-01 -2.459646018e-01 5.34 -2.375641659e-01 -2.375641659e-01 5.36 -2.293424579e-01 -2.293424579e-01 5.38 -2.212990949e-01 -2.212990949e-01 5.40 -2.134362185e-01 -2.134362185e-01 5.42 -2.057582984e-01 -2.057582984e-01 5.44 -1.982718020e-01 -1.982718020e-01 5.46 -1.909847286e-01 -1.909847286e-01 5.48 -1.839060240e-01 -1.839060240e-01 5.50 -1.770449098e-01 -1.770449098e-01 5.52 -1.704101766e-01 -1.704101766e-01 5.54 -1.640094979e-01 -1.640094979e-01 5.56 -1.578488211e-01 -1.578488211e-01 5.58 -1.519318885e-01 -1.519318885e-01 5.60 -1.462597182e-01 -1.462597182e-01 5.62 -1.408307138e-01 -1.408307138e-01 5.64 -1.356410426e-01 -1.356410426e-01 5.66 -1.306843611e-01 -1.306843611e-01 5.68 -1.259521278e-01 -1.259521278e-01 5.70 -1.214339951e-01 -1.214339951e-01 5.72 -1.171182334e-01 -1.171182334e-01 5.74 -1.129921493e-01 -1.129921493e-01 5.76 -1.090424731e-01 -1.090424731e-01 5.78 -1.052556959e-01 -1.052556959e-01 5.80 -1.016183480e-01 -1.016183480e-01 5.82 -9.811721719e-02 -9.811721719e-02 5.84 -9.473950990e-02 -9.473950990e-02 5.86 -9.147296420e-02 -9.147296420e-02 5.88 -8.830592236e-02 -8.830592236e-02 5.90 -8.522737375e-02 -8.522737375e-02 5.92 -8.222697752e-02 -8.222697752e-02 5.94 -7.929507381e-02 -7.929507381e-02 5.96 -7.642269122e-02 -7.642269122e-02 5.98 -7.360155689e-02 -7.360155689e-02 6.00 -7.082411416e-02 -7.082411416e-02