# 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 = CoPt2Ta # 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 3.708136126e+02 3.708136126e+02 1.30 3.458066603e+02 3.458066603e+02 1.32 3.225166010e+02 3.225166010e+02 1.34 3.008219967e+02 3.008219967e+02 1.36 2.806006977e+02 2.806006977e+02 1.38 2.617325401e+02 2.617325401e+02 1.40 2.441049584e+02 2.441049584e+02 1.42 2.276176879e+02 2.276176879e+02 1.44 2.121826058e+02 2.121826058e+02 1.46 1.977213304e+02 1.977213304e+02 1.48 1.841647255e+02 1.841647255e+02 1.50 1.714532181e+02 1.714532181e+02 1.52 1.595350799e+02 1.595350799e+02 1.54 1.483627212e+02 1.483627212e+02 1.56 1.378891099e+02 1.378891099e+02 1.58 1.280659532e+02 1.280659532e+02 1.60 1.188438653e+02 1.188438653e+02 1.62 1.101739558e+02 1.101739558e+02 1.64 1.020101039e+02 1.020101039e+02 1.66 9.431114942e+01 9.431114942e+01 1.68 8.704227952e+01 8.704227952e+01 1.70 8.017519855e+01 8.017519855e+01 1.72 7.368700677e+01 7.368700677e+01 1.74 6.755792013e+01 6.755792013e+01 1.76 6.176849831e+01 6.176849831e+01 1.78 5.629795885e+01 5.629795885e+01 1.80 5.112697406e+01 5.112697406e+01 1.82 4.623344906e+01 4.623344906e+01 1.84 4.159624578e+01 4.159624578e+01 1.86 3.724569945e+01 3.724569945e+01 1.88 3.323984359e+01 3.323984359e+01 1.90 2.955765895e+01 2.955765895e+01 1.92 2.617896122e+01 2.617896122e+01 1.94 2.308427017e+01 2.308427017e+01 1.96 2.025441833e+01 2.025441833e+01 1.98 1.767079606e+01 1.767079606e+01 2.00 1.531562003e+01 1.531562003e+01 2.02 1.317191712e+01 1.317191712e+01 2.04 1.122333494e+01 1.122333494e+01 2.06 9.454019184e+00 9.454019184e+00 2.08 7.848664357e+00 7.848664357e+00 2.10 6.392684548e+00 6.392684548e+00 2.12 5.072398123e+00 5.072398123e+00 2.14 3.875160320e+00 3.875160320e+00 2.16 2.789435897e+00 2.789435897e+00 2.18 1.804828219e+00 1.804828219e+00 2.20 9.120723227e-01 9.120723227e-01 2.22 1.029874084e-01 1.029874084e-01 2.24 -6.296131958e-01 -6.296131958e-01 2.26 -1.292044708e+00 -1.292044708e+00 2.28 -1.889888275e+00 -1.889888275e+00 2.30 -2.428125059e+00 -2.428125059e+00 2.32 -2.911253857e+00 -2.911253857e+00 2.34 -3.343385402e+00 -3.343385402e+00 2.36 -3.728312852e+00 -3.728312852e+00 2.38 -4.069563366e+00 -4.069563366e+00 2.40 -4.370439031e+00 -4.370439031e+00 2.42 -4.634054908e+00 -4.634054908e+00 2.44 -4.863377788e+00 -4.863377788e+00 2.46 -5.061263968e+00 -5.061263968e+00 2.48 -5.230476644e+00 -5.230476644e+00 2.50 -5.373620965e+00 -5.373620965e+00 2.52 -5.493451119e+00 -5.493451119e+00 2.54 -5.592658108e+00 -5.592658108e+00 2.56 -5.673758587e+00 -5.673758587e+00 2.58 -5.739030531e+00 -5.739030531e+00 2.60 -5.790454164e+00 -5.790454164e+00 2.62 -5.829744931e+00 -5.829744931e+00 2.64 -5.860041497e+00 -5.860041497e+00 2.66 -5.882521124e+00 -5.882521124e+00 2.68 -5.897226197e+00 -5.897226197e+00 2.70 -5.904187842e+00 -5.904187842e+00 2.72 -5.903445051e+00 -5.903445051e+00 2.74 -5.895059300e+00 -5.895059300e+00 2.76 -5.879132399e+00 -5.879132399e+00 2.78 -5.855816600e+00 -5.855816600e+00 2.80 -5.825239657e+00 -5.825239657e+00 2.82 -5.787560596e+00 -5.787560596e+00 2.84 -5.742976203e+00 -5.742976203e+00 2.86 -5.691725295e+00 -5.691725295e+00 2.88 -5.634097796e+00 -5.634097796e+00 2.90 -5.570447157e+00 -5.570447157e+00 2.92 -5.501202833e+00 -5.501202833e+00 2.94 -5.426877592e+00 -5.426877592e+00 2.96 -5.348044783e+00 -5.348044783e+00 2.98 -5.265310594e+00 -5.265310594e+00 3.00 -5.179319002e+00 -5.179319002e+00 3.02 -5.090713173e+00 -5.090713173e+00 3.04 -5.000091191e+00 -5.000091191e+00 3.06 -4.907968792e+00 -4.907968792e+00 3.08 -4.814755971e+00 -4.814755971e+00 3.10 -4.720750284e+00 -4.720750284e+00 3.12 -4.626145218e+00 -4.626145218e+00 3.14 -4.531049244e+00 -4.531049244e+00 3.16 -4.435510145e+00 -4.435510145e+00 3.18 -4.339540071e+00 -4.339540071e+00 3.20 -4.243138013e+00 -4.243138013e+00 3.22 -4.146308009e+00 -4.146308009e+00 3.24 -4.049072399e+00 -4.049072399e+00 3.26 -3.951480105e+00 -3.951480105e+00 3.28 -3.853610210e+00 -3.853610210e+00 3.30 -3.755571273e+00 -3.755571273e+00 3.32 -3.657496991e+00 -3.657496991e+00 3.34 -3.559538998e+00 -3.559538998e+00 3.36 -3.461857805e+00 -3.461857805e+00 3.38 -3.364613008e+00 -3.364613008e+00 3.40 -3.267953904e+00 -3.267953904e+00 3.42 -3.172011488e+00 -3.172011488e+00 3.44 -3.076892525e+00 -3.076892525e+00 3.46 -2.982676057e+00 -2.982676057e+00 3.48 -2.889413031e+00 -2.889413031e+00 3.50 -2.797186471e+00 -2.797186471e+00 3.52 -2.706152933e+00 -2.706152933e+00 3.54 -2.616442045e+00 -2.616442045e+00 3.56 -2.528152815e+00 -2.528152815e+00 3.58 -2.441361795e+00 -2.441361795e+00 3.60 -2.356130788e+00 -2.356130788e+00 3.62 -2.272513865e+00 -2.272513865e+00 3.64 -2.190563488e+00 -2.190563488e+00 3.66 -2.110335545e+00 -2.110335545e+00 3.68 -2.031893106e+00 -2.031893106e+00 3.70 -1.955308688e+00 -1.955308688e+00 3.72 -1.880664865e+00 -1.880664865e+00 3.74 -1.808053120e+00 -1.808053120e+00 3.76 -1.737570957e+00 -1.737570957e+00 3.78 -1.669317461e+00 -1.669317461e+00 3.80 -1.603387676e+00 -1.603387676e+00 3.82 -1.539866364e+00 -1.539866364e+00 3.84 -1.478821806e+00 -1.478821806e+00 3.86 -1.420300345e+00 -1.420300345e+00 3.88 -1.364322307e+00 -1.364322307e+00 3.90 -1.310879728e+00 -1.310879728e+00 3.92 -1.259936115e+00 -1.259936115e+00 3.94 -1.211428184e+00 -1.211428184e+00 3.96 -1.165269278e+00 -1.165269278e+00 3.98 -1.121354063e+00 -1.121354063e+00 4.00 -1.079563953e+00 -1.079563953e+00 4.02 -1.039772764e+00 -1.039772764e+00 4.04 -1.001852123e+00 -1.001852123e+00 4.06 -9.656762700e-01 -9.656762700e-01 4.08 -9.311259723e-01 -9.311259723e-01 4.10 -8.980913875e-01 -8.980913875e-01 4.12 -8.664738287e-01 -8.664738287e-01 4.14 -8.361863461e-01 -8.361863461e-01 4.16 -8.071533594e-01 -8.071533594e-01 4.18 -7.793094045e-01 -7.793094045e-01 4.20 -7.525972715e-01 -7.525972715e-01 4.22 -7.269657985e-01 -7.269657985e-01 4.24 -7.023675898e-01 -7.023675898e-01 4.26 -6.787568886e-01 -6.787568886e-01 4.28 -6.560877720e-01 -6.560877720e-01 4.30 -6.343127551e-01 -6.343127551e-01 4.32 -6.133818301e-01 -6.133818301e-01 4.34 -5.932419201e-01 -5.932419201e-01 4.36 -5.738367047e-01 -5.738367047e-01 4.38 -5.551067664e-01 -5.551067664e-01 4.40 -5.369900003e-01 -5.369900003e-01 4.42 -5.194222233e-01 -5.194222233e-01 4.44 -5.023379172e-01 -5.023379172e-01 4.46 -4.856710393e-01 -4.856710393e-01 4.48 -4.693558482e-01 -4.693558482e-01 4.50 -4.533277112e-01 -4.533277112e-01 4.52 -4.375238871e-01 -4.375238871e-01 4.54 -4.218842993e-01 -4.218842993e-01 4.56 -4.063523359e-01 -4.063523359e-01 4.58 -3.908757199e-01 -3.908757199e-01 4.60 -3.754074924e-01 -3.754074924e-01 4.62 -3.599071406e-01 -3.599071406e-01 4.64 -3.443418781e-01 -3.443418781e-01 4.66 -3.286880600e-01 -3.286880600e-01 4.68 -3.129326728e-01 -3.129326728e-01 4.70 -2.970748035e-01 -2.970748035e-01 4.72 -2.811269498e-01 -2.811269498e-01 4.74 -2.651160005e-01 -2.651160005e-01 4.76 -2.490836997e-01 -2.490836997e-01 4.78 -2.330864103e-01 -2.330864103e-01 4.80 -2.171940272e-01 -2.171940272e-01 4.82 -2.014879759e-01 -2.014879759e-01 4.84 -1.860582861e-01 -1.860582861e-01 4.86 -1.709998919e-01 -1.709998919e-01 4.88 -1.564083912e-01 -1.564083912e-01 4.90 -1.423756013e-01 -1.423756013e-01 4.92 -1.289852844e-01 -1.289852844e-01 4.94 -1.163094136e-01 -1.163094136e-01 4.96 -1.044054832e-01 -1.044054832e-01 4.98 -9.331503472e-02 -9.331503472e-02 5.00 -8.306126530e-02 -8.306126530e-02 5.02 -7.365045627e-02 -7.365045627e-02 5.04 -6.507339771e-02 -6.507339771e-02 5.06 -5.730733582e-02 -5.730733582e-02 5.08 -5.031834847e-02 -5.031834847e-02 5.10 -4.406390548e-02 -4.406390548e-02 5.12 -3.849540472e-02 -3.849540472e-02 5.14 -3.356051615e-02 -3.356051615e-02 5.16 -2.920524972e-02 -2.920524972e-02 5.18 -2.537567154e-02 -2.537567154e-02 5.20 -2.201925646e-02 -2.201925646e-02 5.22 -1.908588184e-02 -1.908588184e-02 5.24 -1.652852005e-02 -1.652852005e-02 5.26 -1.430356454e-02 -1.430356454e-02 5.28 -1.237092077e-02 -1.237092077e-02 5.30 -1.069487015e-02 -1.069487015e-02 5.32 -9.243291369e-03 -9.243291369e-03 5.34 -7.987470963e-03 -7.987470963e-03 5.36 -6.901925611e-03 -6.901925611e-03 5.38 -5.964172102e-03 -5.964172102e-03 5.40 -5.154470661e-03 -5.154470661e-03 5.42 -4.455559898e-03 -4.455559898e-03 5.44 -3.852395802e-03 -3.852395802e-03 5.46 -3.331902826e-03 -3.331902826e-03 5.48 -2.882741909e-03 -2.882741909e-03 5.50 -2.495097945e-03 -2.495097945e-03 5.52 -2.160487625e-03 -2.160487625e-03 5.54 -1.871587473e-03 -1.871587473e-03 5.56 -1.622081217e-03 -1.622081217e-03 5.58 -1.406525209e-03 -1.406525209e-03 5.60 -1.220230393e-03 -1.220230393e-03 5.62 -1.059159236e-03 -1.059159236e-03 5.64 -9.198360465e-04 -9.198360465e-04 5.66 -7.992691678e-04 -7.992691678e-04 5.68 -6.948836326e-04 -6.948836326e-04 5.70 -6.044629866e-04 -6.044629866e-04 5.72 -5.260991113e-04 -5.260991113e-04 5.74 -4.581489997e-04 -4.581489997e-04 5.76 -3.991975585e-04 -3.991975585e-04 5.78 -3.480256214e-04 -3.480256214e-04 5.80 -3.035824597e-04 -3.035824597e-04 5.82 -2.649621671e-04 -2.649621671e-04 5.84 -2.313833787e-04 -2.313833787e-04 5.86 -2.021718563e-04 -2.021718563e-04 5.88 -1.767455353e-04 -1.767455353e-04 5.90 -1.546016857e-04 -1.546016857e-04 5.92 -1.353058858e-04 -1.353058858e-04 5.94 -1.184825522e-04 -1.184825522e-04 5.96 -1.038068043e-04 -1.038068043e-04 5.98 -9.099747293e-05 -9.099747293e-05 6.00 -7.981109037e-05 -7.981109037e-05