# 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 = Cu2PdW # 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 2.297090766e+02 2.297090766e+02 1.30 2.117438891e+02 2.117438891e+02 1.32 1.951553330e+02 1.951553330e+02 1.34 1.798451085e+02 1.798451085e+02 1.36 1.657191657e+02 1.657191657e+02 1.38 1.526840233e+02 1.526840233e+02 1.40 1.406472735e+02 1.406472735e+02 1.42 1.295210879e+02 1.295210879e+02 1.44 1.192258035e+02 1.192258035e+02 1.46 1.096913945e+02 1.096913945e+02 1.48 1.008566630e+02 1.008566630e+02 1.50 9.266735596e+01 9.266735596e+01 1.52 8.507438599e+01 8.507438599e+01 1.54 7.803262352e+01 7.803262352e+01 1.56 7.150022529e+01 7.150022529e+01 1.58 6.543840282e+01 6.543840282e+01 1.60 5.981158600e+01 5.981158600e+01 1.62 5.458778710e+01 5.458778710e+01 1.64 4.973877997e+01 4.973877997e+01 1.66 4.524004215e+01 4.524004215e+01 1.68 4.107017307e+01 4.107017307e+01 1.70 3.720906255e+01 3.720906255e+01 1.72 3.364021368e+01 3.364021368e+01 1.74 3.036012800e+01 3.036012800e+01 1.76 2.735019770e+01 2.735019770e+01 1.78 2.458868833e+01 2.458868833e+01 1.80 2.205419229e+01 2.205419229e+01 1.82 1.972608544e+01 1.972608544e+01 1.84 1.758511635e+01 1.758511635e+01 1.86 1.561392913e+01 1.561392913e+01 1.88 1.379734958e+01 1.379734958e+01 1.90 1.212238917e+01 1.212238917e+01 1.92 1.057802226e+01 1.057802226e+01 1.94 9.154842351e+00 9.154842351e+00 1.96 7.844691901e+00 7.844691901e+00 1.98 6.640317519e+00 6.640317519e+00 2.00 5.535070749e+00 5.535070749e+00 2.02 4.522664931e+00 4.522664931e+00 2.04 3.596997639e+00 3.596997639e+00 2.06 2.752044556e+00 2.752044556e+00 2.08 1.981824536e+00 1.981824536e+00 2.10 1.280429246e+00 1.280429246e+00 2.12 6.421035326e-01 6.421035326e-01 2.14 6.135444192e-02 6.135444192e-02 2.16 -4.669389246e-01 -4.669389246e-01 2.18 -9.474411416e-01 -9.474411416e-01 2.20 -1.384316065e+00 -1.384316065e+00 2.22 -1.781111408e+00 -1.781111408e+00 2.24 -2.141146932e+00 -2.141146932e+00 2.26 -2.467442554e+00 -2.467442554e+00 2.28 -2.762667472e+00 -2.762667472e+00 2.30 -3.029238554e+00 -3.029238554e+00 2.32 -3.269396301e+00 -3.269396301e+00 2.34 -3.485108132e+00 -3.485108132e+00 2.36 -3.677873521e+00 -3.677873521e+00 2.38 -3.849160672e+00 -3.849160672e+00 2.40 -4.000434476e+00 -4.000434476e+00 2.42 -4.133107205e+00 -4.133107205e+00 2.44 -4.248515445e+00 -4.248515445e+00 2.46 -4.347915823e+00 -4.347915823e+00 2.48 -4.432488289e+00 -4.432488289e+00 2.50 -4.503337644e+00 -4.503337644e+00 2.52 -4.561489488e+00 -4.561489488e+00 2.54 -4.607882730e+00 -4.607882730e+00 2.56 -4.643364278e+00 -4.643364278e+00 2.58 -4.668691112e+00 -4.668691112e+00 2.60 -4.684541463e+00 -4.684541463e+00 2.62 -4.691532997e+00 -4.691532997e+00 2.64 -4.690295381e+00 -4.690295381e+00 2.66 -4.681748882e+00 -4.681748882e+00 2.68 -4.666327357e+00 -4.666327357e+00 2.70 -4.644379908e+00 -4.644379908e+00 2.72 -4.616278391e+00 -4.616278391e+00 2.74 -4.582415273e+00 -4.582415273e+00 2.76 -4.543558461e+00 -4.543558461e+00 2.78 -4.499858992e+00 -4.499858992e+00 2.80 -4.451256580e+00 -4.451256580e+00 2.82 -4.397805837e+00 -4.397805837e+00 2.84 -4.339612250e+00 -4.339612250e+00 2.86 -4.276834031e+00 -4.276834031e+00 2.88 -4.209689935e+00 -4.209689935e+00 2.90 -4.138465397e+00 -4.138465397e+00 2.92 -4.063526647e+00 -4.063526647e+00 2.94 -3.985340956e+00 -3.985340956e+00 2.96 -3.904424138e+00 -3.904424138e+00 2.98 -3.821312749e+00 -3.821312749e+00 3.00 -3.736543159e+00 -3.736543159e+00 3.02 -3.650629299e+00 -3.650629299e+00 3.04 -3.564041805e+00 -3.564041805e+00 3.06 -3.477190638e+00 -3.477190638e+00 3.08 -3.390412467e+00 -3.390412467e+00 3.10 -3.303963475e+00 -3.303963475e+00 3.12 -3.218017664e+00 -3.218017664e+00 3.14 -3.132670286e+00 -3.132670286e+00 3.16 -3.047945692e+00 -3.047945692e+00 3.18 -2.963808661e+00 -2.963808661e+00 3.20 -2.880178211e+00 -2.880178211e+00 3.22 -2.796942943e+00 -2.796942943e+00 3.24 -2.713977113e+00 -2.713977113e+00 3.26 -2.631156716e+00 -2.631156716e+00 3.28 -2.548374940e+00 -2.548374940e+00 3.30 -2.465556348e+00 -2.465556348e+00 3.32 -2.382669070e+00 -2.382669070e+00 3.34 -2.299734273e+00 -2.299734273e+00 3.36 -2.216832185e+00 -2.216832185e+00 3.38 -2.134104043e+00 -2.134104043e+00 3.40 -2.051749611e+00 -2.051749611e+00 3.42 -1.970020201e+00 -1.970020201e+00 3.44 -1.889207577e+00 -1.889207577e+00 3.46 -1.809629532e+00 -1.809629532e+00 3.48 -1.731613311e+00 -1.731613311e+00 3.50 -1.655478313e+00 -1.655478313e+00 3.52 -1.581519592e+00 -1.581519592e+00 3.54 -1.509993600e+00 -1.509993600e+00 3.56 -1.441107277e+00 -1.441107277e+00 3.58 -1.375011228e+00 -1.375011228e+00 3.60 -1.311797186e+00 -1.311797186e+00 3.62 -1.251499538e+00 -1.251499538e+00 3.64 -1.194100303e+00 -1.194100303e+00 3.66 -1.139536723e+00 -1.139536723e+00 3.68 -1.087710515e+00 -1.087710515e+00 3.70 -1.038497871e+00 -1.038497871e+00 3.72 -9.917593627e-01 -9.917593627e-01 3.74 -9.473490399e-01 -9.473490399e-01 3.76 -9.051221744e-01 -9.051221744e-01 3.78 -8.649412241e-01 -8.649412241e-01 3.80 -8.266797678e-01 -8.266797678e-01 3.82 -7.902243384e-01 -7.902243384e-01 3.84 -7.554742874e-01 -7.554742874e-01 3.86 -7.223400310e-01 -7.223400310e-01 3.88 -6.907402210e-01 -6.907402210e-01 3.90 -6.605984897e-01 -6.605984897e-01 3.92 -6.318404269e-01 -6.318404269e-01 3.94 -6.043913153e-01 -6.043913153e-01 3.96 -5.781749372e-01 -5.781749372e-01 3.98 -5.531135127e-01 -5.531135127e-01 4.00 -5.291285951e-01 -5.291285951e-01 4.02 -5.061425967e-01 -5.061425967e-01 4.04 -4.840805545e-01 -4.840805545e-01 4.06 -4.628717620e-01 -4.628717620e-01 4.08 -4.424509811e-01 -4.424509811e-01 4.10 -4.227590624e-01 -4.227590624e-01 4.12 -4.037429380e-01 -4.037429380e-01 4.14 -3.853550658e-01 -3.853550658e-01 4.16 -3.675525167e-01 -3.675525167e-01 4.18 -3.502959426e-01 -3.502959426e-01 4.20 -3.335486877e-01 -3.335486877e-01 4.22 -3.172762652e-01 -3.172762652e-01 4.24 -3.014463443e-01 -3.014463443e-01 4.26 -2.860292885e-01 -2.860292885e-01 4.28 -2.709991769e-01 -2.709991769e-01 4.30 -2.563351433e-01 -2.563351433e-01 4.32 -2.420227993e-01 -2.420227993e-01 4.34 -2.280554794e-01 -2.280554794e-01 4.36 -2.144350483e-01 -2.144350483e-01 4.38 -2.011720584e-01 -2.011720584e-01 4.40 -1.882851258e-01 -1.882851258e-01 4.42 -1.757994924e-01 -1.757994924e-01 4.44 -1.637448683e-01 -1.637448683e-01 4.46 -1.521527562e-01 -1.521527562e-01 4.48 -1.410535529e-01 -1.410535529e-01 4.50 -1.304737665e-01 -1.304737665e-01 4.52 -1.204336727e-01 -1.204336727e-01 4.54 -1.109456691e-01 -1.109456691e-01 4.56 -1.020134755e-01 -1.020134755e-01 4.58 -9.363219715e-02 -9.363219715e-02 4.60 -8.578915935e-02 -8.578915935e-02 4.62 -7.846533423e-02 -7.846533423e-02 4.64 -7.163711845e-02 -7.163711845e-02 4.66 -6.527821084e-02 -6.527821084e-02 4.68 -5.936138039e-02 -5.936138039e-02 4.70 -5.385996926e-02 -5.385996926e-02 4.72 -4.874877565e-02 -4.874877565e-02 4.74 -4.400513610e-02 -4.400513610e-02 4.76 -3.960940791e-02 -3.960940791e-02 4.78 -3.554434307e-02 -3.554434307e-02 4.80 -3.179476194e-02 -3.179476194e-02 4.82 -2.834703109e-02 -2.834703109e-02 4.84 -2.518844739e-02 -2.518844739e-02 4.86 -2.230663895e-02 -2.230663895e-02 4.88 -1.968905921e-02 -1.968905921e-02 4.90 -1.732262643e-02 -1.732262643e-02 4.92 -1.519352964e-02 -1.519352964e-02 4.94 -1.328696283e-02 -1.328696283e-02 4.96 -1.158768439e-02 -1.158768439e-02 4.98 -1.008020381e-02 -1.008020381e-02 5.00 -8.748755979e-03 -8.748755979e-03 5.02 -7.577606816e-03 -7.577606816e-03 5.04 -6.551342909e-03 -6.551342909e-03 5.06 -5.655123123e-03 -5.655123123e-03 5.08 -4.874879675e-03 -4.874879675e-03 5.10 -4.197464301e-03 -4.197464301e-03 5.12 -3.610741238e-03 -3.610741238e-03 5.14 -3.103632713e-03 -3.103632713e-03 5.16 -2.666124783e-03 -2.666124783e-03 5.18 -2.289242063e-03 -2.289242063e-03 5.20 -1.964999614e-03 -1.964999614e-03 5.22 -1.686339358e-03 -1.686339358e-03 5.24 -1.447057241e-03 -1.447057241e-03 5.26 -1.241726074e-03 -1.241726074e-03 5.28 -1.065617821e-03 -1.065617821e-03 5.30 -9.146280312e-04 -9.146280312e-04 5.32 -7.852042698e-04 -7.852042698e-04 5.34 -6.742796528e-04 -6.742796528e-04 5.36 -5.792121097e-04 -5.792121097e-04 5.38 -4.977295670e-04 -4.977295670e-04 5.40 -4.278809830e-04 -4.278809830e-04 5.42 -3.679929756e-04 -3.679929756e-04 5.44 -3.166316710e-04 -3.166316710e-04 5.46 -2.725693358e-04 -2.725693358e-04 5.48 -2.347553331e-04 -2.347553331e-04 5.50 -2.022909418e-04 -2.022909418e-04 5.52 -1.744075978e-04 -1.744075978e-04 5.54 -1.504481433e-04 -1.504481433e-04 5.56 -1.298507051e-04 -1.298507051e-04 5.58 -1.121348589e-04 -1.121348589e-04 5.60 -9.688977377e-05 -9.688977377e-05 5.62 -8.376406570e-05 -8.376406570e-05 5.64 -7.245712272e-05 -7.245712272e-05 5.66 -6.271169323e-05 -6.271169323e-05 5.68 -5.430755766e-05 -5.430755766e-05 5.70 -4.705612728e-05 -4.705612728e-05 5.72 -4.079583560e-05 -4.079583560e-05 5.74 -3.538820667e-05 -3.538820667e-05 5.76 -3.071450110e-05 -3.071450110e-05 5.78 -2.667285478e-05 -2.667285478e-05 5.80 -2.317583768e-05 -2.317583768e-05 5.82 -2.014837078e-05 -2.014837078e-05 5.84 -1.752594797e-05 -1.752594797e-05 5.86 -1.525311815e-05 -1.525311815e-05 5.88 -1.328218869e-05 -1.328218869e-05 5.90 -1.157211791e-05 -1.157211791e-05 5.92 -1.008756837e-05 -1.008756837e-05 5.94 -8.798097465e-06 -8.798097465e-06 5.96 -7.677465052e-06 -7.677465052e-06 5.98 -6.703040867e-06 -6.703040867e-06 6.00 -5.855297194e-06 -5.855297194e-06