# 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 = CoPb2Ti # 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 3.427772825e+02 3.427772825e+02 1.30 3.197223484e+02 3.197223484e+02 1.32 2.982973777e+02 2.982973777e+02 1.34 2.783744486e+02 2.783744486e+02 1.36 2.598350843e+02 2.598350843e+02 1.38 2.425699748e+02 2.425699748e+02 1.40 2.264799019e+02 2.264799019e+02 1.42 2.114761658e+02 2.114761658e+02 1.44 1.974794969e+02 1.974794969e+02 1.46 1.844180281e+02 1.844180281e+02 1.48 1.722254091e+02 1.722254091e+02 1.50 1.608396469e+02 1.608396469e+02 1.52 1.502027089e+02 1.502027089e+02 1.54 1.402606549e+02 1.402606549e+02 1.56 1.309637143e+02 1.309637143e+02 1.58 1.222660941e+02 1.222660941e+02 1.60 1.141256131e+02 1.141256131e+02 1.62 1.065034762e+02 1.065034762e+02 1.64 9.936414613e+01 9.936414613e+01 1.66 9.267520619e+01 9.267520619e+01 1.68 8.640705129e+01 8.640705129e+01 1.70 8.053242332e+01 8.053242332e+01 1.72 7.502592691e+01 7.502592691e+01 1.74 6.986374955e+01 6.986374955e+01 1.76 6.502493065e+01 6.502493065e+01 1.78 6.049941089e+01 6.049941089e+01 1.80 5.626799595e+01 5.626799595e+01 1.82 5.231040697e+01 5.231040697e+01 1.84 4.860800182e+01 4.860800182e+01 1.86 4.514371926e+01 4.514371926e+01 1.88 4.190194464e+01 4.190194464e+01 1.90 3.886832871e+01 3.886832871e+01 1.92 3.602960319e+01 3.602960319e+01 1.94 3.337345356e+01 3.337345356e+01 1.96 3.088839071e+01 3.088839071e+01 1.98 2.856363346e+01 2.856363346e+01 2.00 2.638899110e+01 2.638899110e+01 2.02 2.435478375e+01 2.435478375e+01 2.04 2.245182234e+01 2.245182234e+01 2.06 2.067144573e+01 2.067144573e+01 2.08 1.900558537e+01 1.900558537e+01 2.10 1.744680493e+01 1.744680493e+01 2.12 1.598830550e+01 1.598830550e+01 2.14 1.462387200e+01 1.462387200e+01 2.16 1.334779272e+01 1.334779272e+01 2.18 1.215477409e+01 1.215477409e+01 2.20 1.103986288e+01 1.103986288e+01 2.22 9.998392338e+00 9.998392338e+00 2.24 9.025946432e+00 9.025946432e+00 2.26 8.118342651e+00 8.118342651e+00 2.28 7.271629383e+00 7.271629383e+00 2.30 6.482080900e+00 6.482080900e+00 2.32 5.746184370e+00 5.746184370e+00 2.34 5.060627745e+00 5.060627745e+00 2.36 4.422269332e+00 4.422269332e+00 2.38 3.828119767e+00 3.828119767e+00 2.40 3.275331628e+00 3.275331628e+00 2.42 2.761199356e+00 2.761199356e+00 2.44 2.283164902e+00 2.283164902e+00 2.46 1.838827644e+00 1.838827644e+00 2.48 1.425952713e+00 1.425952713e+00 2.50 1.042475464e+00 1.042475464e+00 2.52 6.865000342e-01 6.865000342e-01 2.54 3.562913342e-01 3.562913342e-01 2.56 5.026103081e-02 5.026103081e-02 2.58 -2.330508960e-01 -2.330508960e-01 2.60 -4.950005060e-01 -4.950005060e-01 2.62 -7.368973528e-01 -7.368973528e-01 2.64 -9.599139440e-01 -9.599139440e-01 2.66 -1.165164102e+00 -1.165164102e+00 2.68 -1.353655060e+00 -1.353655060e+00 2.70 -1.526351987e+00 -1.526351987e+00 2.72 -1.684185508e+00 -1.684185508e+00 2.74 -1.828050205e+00 -1.828050205e+00 2.76 -1.958803102e+00 -1.958803102e+00 2.78 -2.077251821e+00 -2.077251821e+00 2.80 -2.184098138e+00 -2.184098138e+00 2.82 -2.279985223e+00 -2.279985223e+00 2.84 -2.365496839e+00 -2.365496839e+00 2.86 -2.441185373e+00 -2.441185373e+00 2.88 -2.507591231e+00 -2.507591231e+00 2.90 -2.565240874e+00 -2.565240874e+00 2.92 -2.614645633e+00 -2.614645633e+00 2.94 -2.656301396e+00 -2.656301396e+00 2.96 -2.690689447e+00 -2.690689447e+00 2.98 -2.718278481e+00 -2.718278481e+00 3.00 -2.739527252e+00 -2.739527252e+00 3.02 -2.754886667e+00 -2.754886667e+00 3.04 -2.764799403e+00 -2.764799403e+00 3.06 -2.769699775e+00 -2.769699775e+00 3.08 -2.770005435e+00 -2.770005435e+00 3.10 -2.766114868e+00 -2.766114868e+00 3.12 -2.758401693e+00 -2.758401693e+00 3.14 -2.747218349e+00 -2.747218349e+00 3.16 -2.732888923e+00 -2.732888923e+00 3.18 -2.715716803e+00 -2.715716803e+00 3.20 -2.695984779e+00 -2.695984779e+00 3.22 -2.673955538e+00 -2.673955538e+00 3.24 -2.649871005e+00 -2.649871005e+00 3.26 -2.623966202e+00 -2.623966202e+00 3.28 -2.596492847e+00 -2.596492847e+00 3.30 -2.567574845e+00 -2.567574845e+00 3.32 -2.537314265e+00 -2.537314265e+00 3.34 -2.505807217e+00 -2.505807217e+00 3.36 -2.473144702e+00 -2.473144702e+00 3.38 -2.439413982e+00 -2.439413982e+00 3.40 -2.404699824e+00 -2.404699824e+00 3.42 -2.369087021e+00 -2.369087021e+00 3.44 -2.332657452e+00 -2.332657452e+00 3.46 -2.295481321e+00 -2.295481321e+00 3.48 -2.257628174e+00 -2.257628174e+00 3.50 -2.219174287e+00 -2.219174287e+00 3.52 -2.180201737e+00 -2.180201737e+00 3.54 -2.140796949e+00 -2.140796949e+00 3.56 -2.101048528e+00 -2.101048528e+00 3.58 -2.061044562e+00 -2.061044562e+00 3.60 -2.020869811e+00 -2.020869811e+00 3.62 -1.980603343e+00 -1.980603343e+00 3.64 -1.940317102e+00 -1.940317102e+00 3.66 -1.900075639e+00 -1.900075639e+00 3.68 -1.859936921e+00 -1.859936921e+00 3.70 -1.819953822e+00 -1.819953822e+00 3.72 -1.780175777e+00 -1.780175777e+00 3.74 -1.740650120e+00 -1.740650120e+00 3.76 -1.701422806e+00 -1.701422806e+00 3.78 -1.662538459e+00 -1.662538459e+00 3.80 -1.624039865e+00 -1.624039865e+00 3.82 -1.585967157e+00 -1.585967157e+00 3.84 -1.548356966e+00 -1.548356966e+00 3.86 -1.511241750e+00 -1.511241750e+00 3.88 -1.474649406e+00 -1.474649406e+00 3.90 -1.438603207e+00 -1.438603207e+00 3.92 -1.403121289e+00 -1.403121289e+00 3.94 -1.368219909e+00 -1.368219909e+00 3.96 -1.333909320e+00 -1.333909320e+00 3.98 -1.300197416e+00 -1.300197416e+00 4.00 -1.267089297e+00 -1.267089297e+00 4.02 -1.234587624e+00 -1.234587624e+00 4.04 -1.202692943e+00 -1.202692943e+00 4.06 -1.171403964e+00 -1.171403964e+00 4.08 -1.140717850e+00 -1.140717850e+00 4.10 -1.110628379e+00 -1.110628379e+00 4.12 -1.081135185e+00 -1.081135185e+00 4.14 -1.052230106e+00 -1.052230106e+00 4.16 -1.023907428e+00 -1.023907428e+00 4.18 -9.961616836e-01 -9.961616836e-01 4.20 -9.689880372e-01 -9.689880372e-01 4.22 -9.423825917e-01 -9.423825917e-01 4.24 -9.163425623e-01 -9.163425623e-01 4.26 -8.908662722e-01 -8.908662722e-01 4.28 -8.659529411e-01 -8.659529411e-01 4.30 -8.416022760e-01 -8.416022760e-01 4.32 -8.178139116e-01 -8.178139116e-01 4.34 -7.945867843e-01 -7.945867843e-01 4.36 -7.719185432e-01 -7.719185432e-01 4.38 -7.498050923e-01 -7.498050923e-01 4.40 -7.282403304e-01 -7.282403304e-01 4.42 -7.072161110e-01 -7.072161110e-01 4.44 -6.867223976e-01 -6.867223976e-01 4.46 -6.667475614e-01 -6.667475614e-01 4.48 -6.472787504e-01 -6.472787504e-01 4.50 -6.283022658e-01 -6.283022658e-01 4.52 -6.098038949e-01 -6.098038949e-01 4.54 -5.917691737e-01 -5.917691737e-01 4.56 -5.741835698e-01 -5.741835698e-01 4.58 -5.570325923e-01 -5.570325923e-01 4.60 -5.403018465e-01 -5.403018465e-01 4.62 -5.239770537e-01 -5.239770537e-01 4.64 -5.080440566e-01 -5.080440566e-01 4.66 -4.924888308e-01 -4.924888308e-01 4.68 -4.772975185e-01 -4.772975185e-01 4.70 -4.624564969e-01 -4.624564969e-01 4.72 -4.479524913e-01 -4.479524913e-01 4.74 -4.337727378e-01 -4.337727378e-01 4.76 -4.199051961e-01 -4.199051961e-01 4.78 -4.063388086e-01 -4.063388086e-01 4.80 -3.930623003e-01 -3.930623003e-01 4.82 -3.800706972e-01 -3.800706972e-01 4.84 -3.673559190e-01 -3.673559190e-01 4.86 -3.549137932e-01 -3.549137932e-01 4.88 -3.427424499e-01 -3.427424499e-01 4.90 -3.308423670e-01 -3.308423670e-01 4.92 -3.192162604e-01 -3.192162604e-01 4.94 -3.078688006e-01 -3.078688006e-01 4.96 -2.968061580e-01 -2.968061580e-01 4.98 -2.860354028e-01 -2.860354028e-01 5.00 -2.755638089e-01 -2.755638089e-01 5.02 -2.653981325e-01 -2.653981325e-01 5.04 -2.555439371e-01 -2.555439371e-01 5.06 -2.460050400e-01 -2.460050400e-01 5.08 -2.367831314e-01 -2.367831314e-01 5.10 -2.278775977e-01 -2.278775977e-01 5.12 -2.192855490e-01 -2.192855490e-01 5.14 -2.110020249e-01 -2.110020249e-01 5.16 -2.030203349e-01 -2.030203349e-01 5.18 -1.953324751e-01 -1.953324751e-01 5.20 -1.879295631e-01 -1.879295631e-01 5.22 -1.808022401e-01 -1.808022401e-01 5.24 -1.739410003e-01 -1.739410003e-01 5.26 -1.673364231e-01 -1.673364231e-01 5.28 -1.609793018e-01 -1.609793018e-01 5.30 -1.548606745e-01 -1.548606745e-01 5.32 -1.489717761e-01 -1.489717761e-01 5.34 -1.433039360e-01 -1.433039360e-01 5.36 -1.378484495e-01 -1.378484495e-01 5.38 -1.325964504e-01 -1.325964504e-01 5.40 -1.275388047e-01 -1.275388047e-01 5.42 -1.226660454e-01 -1.226660454e-01 5.44 -1.179683524e-01 -1.179683524e-01 5.46 -1.134355825e-01 -1.134355825e-01 5.48 -1.090573481e-01 -1.090573481e-01 5.50 -1.048231350e-01 -1.048231350e-01 5.52 -1.007224504e-01 -1.007224504e-01 5.54 -9.674499189e-02 -9.674499189e-02 5.56 -9.288082839e-02 -9.288082839e-02 5.58 -8.912058398e-02 -8.912058398e-02 5.60 -8.545561639e-02 -8.545561639e-02 5.62 -8.187818220e-02 -8.187818220e-02 5.64 -7.838158420e-02 -7.838158420e-02 5.66 -7.496029180e-02 -7.496029180e-02 5.68 -7.161002734e-02 -7.161002734e-02 5.70 -6.832781090e-02 -6.832781090e-02 5.72 -6.511195720e-02 -6.511195720e-02 5.74 -6.196201977e-02 -6.196201977e-02 5.76 -5.887868114e-02 -5.887868114e-02 5.78 -5.586345814e-02 -5.586345814e-02 5.80 -5.291823765e-02 -5.291823765e-02 5.82 -5.004615021e-02 -5.004615021e-02 5.84 -4.725066092e-02 -4.725066092e-02 5.86 -4.453523047e-02 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