# 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 = CoCu2Zr # 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 1.586832294e+02 1.586832294e+02 1.30 1.461240264e+02 1.461240264e+02 1.32 1.345330360e+02 1.345330360e+02 1.34 1.238322964e+02 1.238322964e+02 1.36 1.139508399e+02 1.139508399e+02 1.38 1.048239856e+02 1.048239856e+02 1.40 9.639264689e+01 9.639264689e+01 1.42 8.860250395e+01 8.860250395e+01 1.44 8.140299663e+01 8.140299663e+01 1.46 7.474677801e+01 7.474677801e+01 1.48 6.858990236e+01 6.858990236e+01 1.50 6.289211865e+01 6.289211865e+01 1.52 5.761676269e+01 5.761676269e+01 1.54 5.273031748e+01 5.273031748e+01 1.56 4.820205310e+01 4.820205310e+01 1.58 4.400402160e+01 4.400402160e+01 1.60 4.011119468e+01 4.011119468e+01 1.62 3.650142365e+01 3.650142365e+01 1.64 3.315506585e+01 3.315506585e+01 1.66 3.005441747e+01 3.005441747e+01 1.68 2.718319164e+01 2.718319164e+01 1.70 2.452639212e+01 2.452639212e+01 1.72 2.207026942e+01 2.207026942e+01 1.74 1.980117552e+01 1.980117552e+01 1.76 1.770630641e+01 1.770630641e+01 1.78 1.577343852e+01 1.577343852e+01 1.80 1.399035805e+01 1.399035805e+01 1.82 1.234568397e+01 1.234568397e+01 1.84 1.082874931e+01 1.082874931e+01 1.86 9.429600118e+00 9.429600118e+00 1.88 8.139025658e+00 8.139025658e+00 1.90 6.948613703e+00 6.948613703e+00 1.92 5.850741000e+00 5.850741000e+00 1.94 4.838520020e+00 4.838520020e+00 1.96 3.905694391e+00 3.905694391e+00 1.98 3.046589318e+00 3.046589318e+00 2.00 2.256082590e+00 2.256082590e+00 2.02 1.529554686e+00 1.529554686e+00 2.04 8.628032991e-01 8.628032991e-01 2.06 2.519306313e-01 2.519306313e-01 2.08 -3.067680834e-01 -3.067680834e-01 2.10 -8.168739738e-01 -8.168739738e-01 2.12 -1.281853538e+00 -1.281853538e+00 2.14 -1.705031198e+00 -1.705031198e+00 2.16 -2.089535035e+00 -2.089535035e+00 2.18 -2.438269963e+00 -2.438269963e+00 2.20 -2.753918264e+00 -2.753918264e+00 2.22 -3.038979149e+00 -3.038979149e+00 2.24 -3.295803368e+00 -3.295803368e+00 2.26 -3.526610905e+00 -3.526610905e+00 2.28 -3.733501805e+00 -3.733501805e+00 2.30 -3.918434996e+00 -3.918434996e+00 2.32 -4.083247279e+00 -4.083247279e+00 2.34 -4.229620353e+00 -4.229620353e+00 2.36 -4.359087899e+00 -4.359087899e+00 2.38 -4.473022806e+00 -4.473022806e+00 2.40 -4.572694471e+00 -4.572694471e+00 2.42 -4.659189221e+00 -4.659189221e+00 2.44 -4.733399276e+00 -4.733399276e+00 2.46 -4.796183287e+00 -4.796183287e+00 2.48 -4.848380981e+00 -4.848380981e+00 2.50 -4.890814328e+00 -4.890814328e+00 2.52 -4.924277838e+00 -4.924277838e+00 2.54 -4.949508851e+00 -4.949508851e+00 2.56 -4.967054619e+00 -4.967054619e+00 2.58 -4.977372915e+00 -4.977372915e+00 2.60 -4.980915550e+00 -4.980915550e+00 2.62 -4.978152254e+00 -4.978152254e+00 2.64 -4.969528431e+00 -4.969528431e+00 2.66 -4.955436554e+00 -4.955436554e+00 2.68 -4.936285505e+00 -4.936285505e+00 2.70 -4.912499890e+00 -4.912499890e+00 2.72 -4.884516930e+00 -4.884516930e+00 2.74 -4.852775934e+00 -4.852775934e+00 2.76 -4.817701699e+00 -4.817701699e+00 2.78 -4.779683548e+00 -4.779683548e+00 2.80 -4.739046488e+00 -4.739046488e+00 2.82 -4.696097134e+00 -4.696097134e+00 2.84 -4.651353394e+00 -4.651353394e+00 2.86 -4.604711092e+00 -4.604711092e+00 2.88 -4.556023304e+00 -4.556023304e+00 2.90 -4.505202236e+00 -4.505202236e+00 2.92 -4.452216001e+00 -4.452216001e+00 2.94 -4.397084424e+00 -4.397084424e+00 2.96 -4.339873636e+00 -4.339873636e+00 2.98 -4.280689535e+00 -4.280689535e+00 3.00 -4.219670616e+00 -4.219670616e+00 3.02 -4.156998656e+00 -4.156998656e+00 3.04 -4.092886506e+00 -4.092886506e+00 3.06 -4.027552695e+00 -4.027552695e+00 3.08 -3.961196148e+00 -3.961196148e+00 3.10 -3.894000194e+00 -3.894000194e+00 3.12 -3.826122796e+00 -3.826122796e+00 3.14 -3.757703739e+00 -3.757703739e+00 3.16 -3.688850610e+00 -3.688850610e+00 3.18 -3.619651776e+00 -3.619651776e+00 3.20 -3.550177594e+00 -3.550177594e+00 3.22 -3.480485599e+00 -3.480485599e+00 3.24 -3.410626612e+00 -3.410626612e+00 3.26 -3.340651235e+00 -3.340651235e+00 3.28 -3.270615737e+00 -3.270615737e+00 3.30 -3.200586035e+00 -3.200586035e+00 3.32 -3.130638788e+00 -3.130638788e+00 3.34 -3.060859389e+00 -3.060859389e+00 3.36 -2.991337699e+00 -2.991337699e+00 3.38 -2.922163002e+00 -2.922163002e+00 3.40 -2.853418587e+00 -2.853418587e+00 3.42 -2.785183939e+00 -2.785183939e+00 3.44 -2.717526216e+00 -2.717526216e+00 3.46 -2.650506074e+00 -2.650506074e+00 3.48 -2.584177078e+00 -2.584177078e+00 3.50 -2.518586484e+00 -2.518586484e+00 3.52 -2.453775630e+00 -2.453775630e+00 3.54 -2.389779933e+00 -2.389779933e+00 3.56 -2.326628647e+00 -2.326628647e+00 3.58 -2.264344604e+00 -2.264344604e+00 3.60 -2.202944184e+00 -2.202944184e+00 3.62 -2.142437654e+00 -2.142437654e+00 3.64 -2.082830001e+00 -2.082830001e+00 3.66 -2.024122320e+00 -2.024122320e+00 3.68 -1.966313745e+00 -1.966313745e+00 3.70 -1.909403865e+00 -1.909403865e+00 3.72 -1.853395507e+00 -1.853395507e+00 3.74 -1.798297648e+00 -1.798297648e+00 3.76 -1.744128168e+00 -1.744128168e+00 3.78 -1.690916023e+00 -1.690916023e+00 3.80 -1.638702401e+00 -1.638702401e+00 3.82 -1.587540416e+00 -1.587540416e+00 3.84 -1.537493056e+00 -1.537493056e+00 3.86 -1.488629303e+00 -1.488629303e+00 3.88 -1.441018733e+00 -1.441018733e+00 3.90 -1.394725214e+00 -1.394725214e+00 3.92 -1.349799290e+00 -1.349799290e+00 3.94 -1.306278490e+00 -1.306278490e+00 3.96 -1.264174954e+00 -1.264174954e+00 3.98 -1.223480401e+00 -1.223480401e+00 4.00 -1.184165367e+00 -1.184165367e+00 4.02 -1.146181904e+00 -1.146181904e+00 4.04 -1.109467430e+00 -1.109467430e+00 4.06 -1.073949065e+00 -1.073949065e+00 4.08 -1.039547874e+00 -1.039547874e+00 4.10 -1.006178821e+00 -1.006178821e+00 4.12 -9.737700963e-01 -9.737700963e-01 4.14 -9.422401561e-01 -9.422401561e-01 4.16 -9.115176507e-01 -9.115176507e-01 4.18 -8.815381597e-01 -8.815381597e-01 4.20 -8.522453605e-01 -8.522453605e-01 4.22 -8.235919269e-01 -8.235919269e-01 4.24 -7.955401967e-01 -7.955401967e-01 4.26 -7.680626087e-01 -7.680626087e-01 4.28 -7.411418911e-01 -7.411418911e-01 4.30 -7.147709764e-01 -7.147709764e-01 4.32 -6.889526204e-01 -6.889526204e-01 4.34 -6.636987158e-01 -6.636987158e-01 4.36 -6.390292926e-01 -6.390292926e-01 4.38 -6.149711975e-01 -6.149711975e-01 4.40 -5.915564499e-01 -5.915564499e-01 4.42 -5.688202793e-01 -5.688202793e-01 4.44 -5.467988901e-01 -5.467988901e-01 4.46 -5.255270451e-01 -5.255270451e-01 4.48 -5.050356260e-01 -5.050356260e-01 4.50 -4.853493702e-01 -4.853493702e-01 4.52 -4.664849972e-01 -4.664849972e-01 4.54 -4.484499075e-01 -4.484499075e-01 4.56 -4.312415682e-01 -4.312415682e-01 4.58 -4.148476080e-01 -4.148476080e-01 4.60 -3.992465569e-01 -3.992465569e-01 4.62 -3.844090931e-01 -3.844090931e-01 4.64 -3.702996229e-01 -3.702996229e-01 4.66 -3.568780119e-01 -3.568780119e-01 4.68 -3.441013127e-01 -3.441013127e-01 4.70 -3.319253658e-01 -3.319253658e-01 4.72 -3.203060595e-01 -3.203060595e-01 4.74 -3.092006303e-01 -3.092006303e-01 4.76 -2.985689283e-01 -2.985689283e-01 4.78 -2.883736242e-01 -2.883736242e-01 4.80 -2.785775503e-01 -2.785775503e-01 4.82 -2.691572896e-01 -2.691572896e-01 4.84 -2.600825556e-01 -2.600825556e-01 4.86 -2.513307496e-01 -2.513307496e-01 4.88 -2.428830055e-01 -2.428830055e-01 4.90 -2.347239393e-01 -2.347239393e-01 4.92 -2.268412739e-01 -2.268412739e-01 4.94 -2.192253542e-01 -2.192253542e-01 4.96 -2.118685735e-01 -2.118685735e-01 4.98 -2.047647468e-01 -2.047647468e-01 5.00 -1.979084750e-01 -1.979084750e-01 5.02 -1.912945509e-01 -1.912945509e-01 5.04 -1.849174529e-01 -1.849174529e-01 5.06 -1.787709652e-01 -1.787709652e-01 5.08 -1.728479428e-01 -1.728479428e-01 5.10 -1.671402258e-01 -1.671402258e-01 5.12 -1.616386853e-01 -1.616386853e-01 5.14 -1.563333759e-01 -1.563333759e-01 5.16 -1.512137598e-01 -1.512137598e-01 5.18 -1.462689712e-01 -1.462689712e-01 5.20 -1.414880924e-01 -1.414880924e-01 5.22 -1.368604195e-01 -1.368604195e-01 5.24 -1.323757064e-01 -1.323757064e-01 5.26 -1.280243787e-01 -1.280243787e-01 5.28 -1.237977151e-01 -1.237977151e-01 5.30 -1.196879963e-01 -1.196879963e-01 5.32 -1.156886218e-01 -1.156886218e-01 5.34 -1.117941928e-01 -1.117941928e-01 5.36 -1.080005582e-01 -1.080005582e-01 5.38 -1.043048203e-01 -1.043048203e-01 5.40 -1.007052937e-01 -1.007052937e-01 5.42 -9.720141310e-02 -9.720141310e-02 5.44 -9.379358770e-02 -9.379358770e-02 5.46 -9.048300449e-02 -9.048300449e-02 5.48 -8.727138723e-02 -8.727138723e-02 5.50 -8.416072515e-02 -8.416072515e-02 5.52 -8.115299000e-02 -8.115299000e-02 5.54 -7.824986233e-02 -7.824986233e-02 5.56 -7.545248896e-02 -7.545248896e-02 5.58 -7.276129001e-02 -7.276129001e-02 5.60 -7.017575231e-02 -7.017575231e-02 5.62 -6.769447855e-02 -6.769447855e-02 5.64 -6.531526940e-02 -6.531526940e-02 5.66 -6.303504292e-02 -6.303504292e-02 5.68 -6.084994314e-02 -6.084994314e-02 5.70 -5.875547743e-02 -5.875547743e-02 5.72 -5.674666664e-02 -5.674666664e-02 5.74 -5.481819447e-02 -5.481819447e-02 5.76 -5.296454589e-02 -5.296454589e-02 5.78 -5.118012804e-02 -5.118012804e-02 5.80 -4.945937008e-02 -4.945937008e-02 5.82 -4.779680157e-02 -4.779680157e-02 5.84 -4.618711069e-02 -4.618711069e-02 5.86 -4.462518513e-02 -4.462518513e-02 5.88 -4.310613920e-02 -4.310613920e-02 5.90 -4.162533072e-02 -4.162533072e-02 5.92 -4.017837163e-02 -4.017837163e-02 5.94 -3.876113541e-02 -3.876113541e-02 5.96 -3.736976457e-02 -3.736976457e-02 5.98 -3.600068036e-02 -3.600068036e-02 6.00 -3.465059700e-02 -3.465059700e-02