# 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 = AuCo2Mo # 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 2.280943766e+02 2.280943766e+02 1.30 2.102945221e+02 2.102945221e+02 1.32 1.938564238e+02 1.938564238e+02 1.34 1.786765590e+02 1.786765590e+02 1.36 1.646599237e+02 1.646599237e+02 1.38 1.517170361e+02 1.517170361e+02 1.40 1.397625269e+02 1.397625269e+02 1.42 1.287153165e+02 1.287153165e+02 1.44 1.184995447e+02 1.184995447e+02 1.46 1.090455400e+02 1.090455400e+02 1.48 1.002903417e+02 1.002903417e+02 1.50 9.217752850e+01 9.217752850e+01 1.52 8.465655390e+01 8.465655390e+01 1.54 7.768197135e+01 7.768197135e+01 1.56 7.121270755e+01 7.121270755e+01 1.58 6.521138590e+01 6.521138590e+01 1.60 5.964373268e+01 5.964373268e+01 1.62 5.447813857e+01 5.447813857e+01 1.64 4.968539534e+01 4.968539534e+01 1.66 4.523854747e+01 4.523854747e+01 1.68 4.111277009e+01 4.111277009e+01 1.70 3.728523045e+01 3.728523045e+01 1.72 3.374179404e+01 3.374179404e+01 1.74 3.047369559e+01 3.047369559e+01 1.76 2.746228661e+01 2.746228661e+01 1.78 2.468877564e+01 2.468877564e+01 1.80 2.213476000e+01 2.213476000e+01 1.82 1.978301180e+01 1.978301180e+01 1.84 1.761763566e+01 1.761763566e+01 1.86 1.562415933e+01 1.562415933e+01 1.88 1.378949934e+01 1.378949934e+01 1.90 1.210180392e+01 1.210180392e+01 1.92 1.055023707e+01 1.055023707e+01 1.94 9.124788705e+00 9.124788705e+00 1.96 7.816158037e+00 7.816158037e+00 1.98 6.615693323e+00 6.615693323e+00 2.00 5.515344252e+00 5.515344252e+00 2.02 4.507604460e+00 4.507604460e+00 2.04 3.585447751e+00 3.585447751e+00 2.06 2.742267363e+00 2.742267363e+00 2.08 1.971826761e+00 1.971826761e+00 2.10 1.268232007e+00 1.268232007e+00 2.12 6.259330068e-01 6.259330068e-01 2.14 3.975127579e-02 3.975127579e-02 2.16 -4.950786036e-01 -4.950786036e-01 2.18 -9.828722237e-01 -9.828722237e-01 2.20 -1.427480274e+00 -1.427480274e+00 2.22 -1.832304243e+00 -1.832304243e+00 2.24 -2.200340731e+00 -2.200340731e+00 2.26 -2.534243269e+00 -2.534243269e+00 2.28 -2.836388024e+00 -2.836388024e+00 2.30 -3.108932843e+00 -3.108932843e+00 2.32 -3.353864170e+00 -3.353864170e+00 2.34 -3.573030834e+00 -3.573030834e+00 2.36 -3.768166569e+00 -3.768166569e+00 2.38 -3.940892318e+00 -3.940892318e+00 2.40 -4.092602938e+00 -4.092602938e+00 2.42 -4.224867904e+00 -4.224867904e+00 2.44 -4.339235858e+00 -4.339235858e+00 2.46 -4.437152511e+00 -4.437152511e+00 2.48 -4.519971634e+00 -4.519971634e+00 2.50 -4.588961511e+00 -4.588961511e+00 2.52 -4.645309350e+00 -4.645309350e+00 2.54 -4.690057842e+00 -4.690057842e+00 2.56 -4.723970218e+00 -4.723970218e+00 2.58 -4.747793923e+00 -4.747793923e+00 2.60 -4.762339128e+00 -4.762339128e+00 2.62 -4.768257157e+00 -4.768257157e+00 2.64 -4.766169172e+00 -4.766169172e+00 2.66 -4.756689993e+00 -4.756689993e+00 2.68 -4.740404325e+00 -4.740404325e+00 2.70 -4.717665339e+00 -4.717665339e+00 2.72 -4.688780043e+00 -4.688780043e+00 2.74 -4.654030100e+00 -4.654030100e+00 2.76 -4.613614670e+00 -4.613614670e+00 2.78 -4.567665402e+00 -4.567665402e+00 2.80 -4.516338525e+00 -4.516338525e+00 2.82 -4.459806373e+00 -4.459806373e+00 2.84 -4.398265364e+00 -4.398265364e+00 2.86 -4.331940508e+00 -4.331940508e+00 2.88 -4.261086341e+00 -4.261086341e+00 2.90 -4.185989718e+00 -4.185989718e+00 2.92 -4.106973767e+00 -4.106973767e+00 2.94 -4.024401799e+00 -4.024401799e+00 2.96 -3.938679667e+00 -3.938679667e+00 2.98 -3.850254876e+00 -3.850254876e+00 3.00 -3.759610792e+00 -3.759610792e+00 3.02 -3.667254751e+00 -3.667254751e+00 3.04 -3.573699859e+00 -3.573699859e+00 3.06 -3.479441863e+00 -3.479441863e+00 3.08 -3.384934267e+00 -3.384934267e+00 3.10 -3.290566076e+00 -3.290566076e+00 3.12 -3.196646443e+00 -3.196646443e+00 3.14 -3.103398860e+00 -3.103398860e+00 3.16 -3.010965171e+00 -3.010965171e+00 3.18 -2.919417533e+00 -2.919417533e+00 3.20 -2.828775274e+00 -2.828775274e+00 3.22 -2.739023591e+00 -2.739023591e+00 3.24 -2.650131674e+00 -2.650131674e+00 3.26 -2.562068784e+00 -2.562068784e+00 3.28 -2.474817543e+00 -2.474817543e+00 3.30 -2.388384228e+00 -2.388384228e+00 3.32 -2.302806072e+00 -2.302806072e+00 3.34 -2.218155611e+00 -2.218155611e+00 3.36 -2.134542122e+00 -2.134542122e+00 3.38 -2.052110143e+00 -2.052110143e+00 3.40 -1.971035160e+00 -1.971035160e+00 3.42 -1.891516660e+00 -1.891516660e+00 3.44 -1.813768976e+00 -1.813768976e+00 3.46 -1.738010600e+00 -1.738010600e+00 3.48 -1.664452864e+00 -1.664452864e+00 3.50 -1.593288973e+00 -1.593288973e+00 3.52 -1.524684382e+00 -1.524684382e+00 3.54 -1.458769344e+00 -1.458769344e+00 3.56 -1.395634130e+00 -1.395634130e+00 3.58 -1.335327139e+00 -1.335327139e+00 3.60 -1.277855722e+00 -1.277855722e+00 3.62 -1.223189322e+00 -1.223189322e+00 3.64 -1.171264315e+00 -1.171264315e+00 3.66 -1.121989911e+00 -1.121989911e+00 3.68 -1.075254479e+00 -1.075254479e+00 3.70 -1.030931770e+00 -1.030931770e+00 3.72 -9.888866346e-01 -9.888866346e-01 3.74 -9.489799760e-01 -9.489799760e-01 3.76 -9.110728090e-01 -9.110728090e-01 3.78 -8.750293915e-01 -8.750293915e-01 3.80 -8.407194818e-01 -8.407194818e-01 3.82 -8.080198204e-01 -8.080198204e-01 3.84 -7.768149648e-01 -7.768149648e-01 3.86 -7.469976114e-01 -7.469976114e-01 3.88 -7.184685361e-01 -7.184685361e-01 3.90 -6.911362688e-01 -6.911362688e-01 3.92 -6.649165995e-01 -6.649165995e-01 3.94 -6.397319981e-01 -6.397319981e-01 3.96 -6.155110055e-01 -6.155110055e-01 3.98 -5.921876525e-01 -5.921876525e-01 4.00 -5.697009422e-01 -5.697009422e-01 4.02 -5.479944276e-01 -5.479944276e-01 4.04 -5.270159141e-01 -5.270159141e-01 4.06 -5.067173044e-01 -5.067173044e-01 4.08 -4.870546050e-01 -4.870546050e-01 4.10 -4.679880958e-01 -4.679880958e-01 4.12 -4.494826641e-01 -4.494826641e-01 4.14 -4.315082596e-01 -4.315082596e-01 4.16 -4.140404412e-01 -4.140404412e-01 4.18 -3.970609178e-01 -3.970609178e-01 4.20 -3.805579795e-01 -3.805579795e-01 4.22 -3.645266870e-01 -3.645266870e-01 4.24 -3.489686830e-01 -3.489686830e-01 4.26 -3.338915132e-01 -3.338915132e-01 4.28 -3.193074030e-01 -3.193074030e-01 4.30 -3.052315207e-01 -3.052315207e-01 4.32 -2.916798604e-01 -2.916798604e-01 4.34 -2.786669661e-01 -2.786669661e-01 4.36 -2.662037690e-01 -2.662037690e-01 4.38 -2.542958031e-01 -2.542958031e-01 4.40 -2.429420010e-01 -2.429420010e-01 4.42 -2.321341665e-01 -2.321341665e-01 4.44 -2.218571082e-01 -2.218571082e-01 4.46 -2.120893219e-01 -2.120893219e-01 4.48 -2.028040524e-01 -2.028040524e-01 4.50 -1.939705519e-01 -1.939705519e-01 4.52 -1.855553702e-01 -1.855553702e-01 4.54 -1.775235518e-01 -1.775235518e-01 4.56 -1.698396672e-01 -1.698396672e-01 4.58 -1.624686436e-01 -1.624686436e-01 4.60 -1.553764012e-01 -1.553764012e-01 4.62 -1.485303207e-01 -1.485303207e-01 4.64 -1.418995818e-01 -1.418995818e-01 4.66 -1.354554178e-01 -1.354554178e-01 4.68 -1.291713300e-01 -1.291713300e-01 4.70 -1.230232989e-01 -1.230232989e-01 4.72 -1.169900226e-01 -1.169900226e-01 4.74 -1.110532021e-01 -1.110532021e-01 4.76 -1.051978804e-01 -1.051978804e-01 4.78 -9.941282774e-02 -9.941282774e-02 4.80 -9.369095123e-02 -9.369095123e-02 4.82 -8.802969079e-02 -8.802969079e-02 4.84 -8.243133859e-02 -8.243133859e-02 4.86 -7.690322563e-02 -7.690322563e-02 4.88 -7.145769540e-02 -7.145769540e-02 4.90 -6.611180399e-02 -6.611180399e-02 4.92 -6.088669499e-02 -6.088669499e-02 4.94 -5.580664366e-02 -5.580664366e-02 4.96 -5.089780394e-02 -5.089780394e-02 4.98 -4.618673309e-02 -4.618673309e-02 5.00 -4.169882803e-02 -4.169882803e-02 5.02 -3.745682067e-02 -3.745682067e-02 5.04 -3.347947127e-02 -3.347947127e-02 5.06 -2.978058705e-02 -2.978058705e-02 5.08 -2.636820677e-02 -2.636820677e-02 5.10 -2.324458577e-02 -2.324458577e-02 5.12 -2.040709777e-02 -2.040709777e-02 5.14 -1.784833229e-02 -1.784833229e-02 5.16 -1.555663372e-02 -1.555663372e-02 5.18 -1.351704645e-02 -1.351704645e-02 5.20 -1.171228043e-02 -1.171228043e-02 5.22 -1.012362030e-02 -1.012362030e-02 5.24 -8.731726261e-03 -8.731726261e-03 5.26 -7.517298653e-03 -7.517298653e-03 5.28 -6.461597389e-03 -6.461597389e-03 5.30 -5.546821956e-03 -5.546821956e-03 5.32 -4.756366668e-03 -4.756366668e-03 5.34 -4.074970710e-03 -4.074970710e-03 5.36 -3.488783886e-03 -3.488783886e-03 5.38 -2.985368116e-03 -2.985368116e-03 5.40 -2.553652544e-03 -2.553652544e-03 5.42 -2.183857289e-03 -2.183857289e-03 5.44 -1.867397942e-03 -1.867397942e-03 5.46 -1.596780105e-03 -1.596780105e-03 5.48 -1.365490878e-03 -1.365490878e-03 5.50 -1.167892159e-03 -1.167892159e-03 5.52 -9.991189894e-04 -9.991189894e-04 5.54 -8.549849555e-04 -8.549849555e-04 5.56 -7.318957172e-04 -7.318957172e-04 5.58 -6.267710544e-04 -6.267710544e-04 5.60 -5.369753806e-04 -5.369753806e-04 5.62 -4.602563569e-04 -4.602563569e-04 5.64 -3.946910605e-04 -3.946910605e-04 5.66 -3.386390615e-04 -3.386390615e-04 5.68 -2.907017251e-04 -2.907017251e-04 5.70 -2.496870571e-04 -2.496870571e-04 5.72 -2.145794421e-04 -2.145794421e-04 5.74 -1.845136650e-04 -1.845136650e-04 5.76 -1.587526610e-04 -1.587526610e-04 5.78 -1.366684959e-04 -1.366684959e-04 5.80 -1.177261311e-04 -1.177261311e-04 5.82 -1.014695838e-04 -1.014695838e-04 5.84 -8.751013970e-05 -8.751013970e-05 5.86 -7.551632157e-05 -7.551632157e-05 5.88 -6.520535663e-05 -6.520535663e-05 5.90 -5.633592202e-05 -5.633592202e-05 5.92 -4.870197820e-05 -4.870197820e-05 5.94 -4.212752780e-05 -4.212752780e-05 5.96 -3.646216128e-05 -3.646216128e-05 5.98 -3.157727103e-05 -3.157727103e-05 6.00 -2.736283300e-05 -2.736283300e-05