# 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 = CoPbTi2 # 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 2.933958048e+02 2.933958048e+02 1.30 2.727196797e+02 2.727196797e+02 1.32 2.535517123e+02 2.535517123e+02 1.34 2.357715954e+02 2.357715954e+02 1.36 2.192681043e+02 2.192681043e+02 1.38 2.039392507e+02 2.039392507e+02 1.40 1.896928554e+02 1.896928554e+02 1.42 1.764463713e+02 1.764463713e+02 1.44 1.641255925e+02 1.641255925e+02 1.46 1.526627658e+02 1.526627658e+02 1.48 1.419950393e+02 1.419950393e+02 1.50 1.320638140e+02 1.320638140e+02 1.52 1.228147109e+02 1.228147109e+02 1.54 1.141975728e+02 1.141975728e+02 1.56 1.061662761e+02 1.061662761e+02 1.58 9.867836510e+01 9.867836510e+01 1.60 9.169463103e+01 9.169463103e+01 1.62 8.517884109e+01 8.517884109e+01 1.64 7.909760827e+01 7.909760827e+01 1.66 7.342026525e+01 7.342026525e+01 1.68 6.811865402e+01 6.811865402e+01 1.70 6.316690292e+01 6.316690292e+01 1.72 5.854116865e+01 5.854116865e+01 1.74 5.421931269e+01 5.421931269e+01 1.76 5.018057787e+01 5.018057787e+01 1.78 4.640567357e+01 4.640567357e+01 1.80 4.287743705e+01 4.287743705e+01 1.82 3.958488143e+01 3.958488143e+01 1.84 3.651295586e+01 3.651295586e+01 1.86 3.364684884e+01 3.364684884e+01 1.88 3.097304405e+01 3.097304405e+01 1.90 2.847913339e+01 2.847913339e+01 1.92 2.615362925e+01 2.615362925e+01 1.94 2.398578274e+01 2.398578274e+01 1.96 2.196541533e+01 2.196541533e+01 1.98 2.008281062e+01 2.008281062e+01 2.00 1.832868503e+01 1.832868503e+01 2.02 1.669422282e+01 1.669422282e+01 2.04 1.517112865e+01 1.517112865e+01 2.06 1.375167125e+01 1.375167125e+01 2.08 1.242871374e+01 1.242871374e+01 2.10 1.119573008e+01 1.119573008e+01 2.12 1.004679107e+01 1.004679107e+01 2.14 8.976509288e+00 8.976509288e+00 2.16 7.979957174e+00 7.979957174e+00 2.18 7.052579241e+00 7.052579241e+00 2.20 6.190112717e+00 6.190112717e+00 2.22 5.388528216e+00 5.388528216e+00 2.24 4.643990118e+00 4.643990118e+00 2.26 3.952840145e+00 3.952840145e+00 2.28 3.311597342e+00 3.311597342e+00 2.30 2.716972746e+00 2.716972746e+00 2.32 2.165870728e+00 2.165870728e+00 2.34 1.655391106e+00 1.655391106e+00 2.36 1.182816598e+00 1.182816598e+00 2.38 7.456040976e-01 7.456040976e-01 2.40 3.413775867e-01 3.413775867e-01 2.42 -3.207704987e-02 -3.207704987e-02 2.44 -3.768184129e-01 -3.768184129e-01 2.46 -6.947577835e-01 -6.947577835e-01 2.48 -9.876705397e-01 -9.876705397e-01 2.50 -1.257209488e+00 -1.257209488e+00 2.52 -1.504918252e+00 -1.504918252e+00 2.54 -1.732242621e+00 -1.732242621e+00 2.56 -1.940538578e+00 -1.940538578e+00 2.58 -2.131076794e+00 -2.131076794e+00 2.60 -2.305044160e+00 -2.305044160e+00 2.62 -2.463543080e+00 -2.463543080e+00 2.64 -2.607649886e+00 -2.607649886e+00 2.66 -2.738343688e+00 -2.738343688e+00 2.68 -2.856379806e+00 -2.856379806e+00 2.70 -2.962481759e+00 -2.962481759e+00 2.72 -3.057369433e+00 -3.057369433e+00 2.74 -3.141673306e+00 -3.141673306e+00 2.76 -3.215998000e+00 -3.215998000e+00 2.78 -3.280933237e+00 -3.280933237e+00 2.80 -3.337038112e+00 -3.337038112e+00 2.82 -3.384708693e+00 -3.384708693e+00 2.84 -3.424270607e+00 -3.424270607e+00 2.86 -3.456076523e+00 -3.456076523e+00 2.88 -3.480495235e+00 -3.480495235e+00 2.90 -3.497870425e+00 -3.497870425e+00 2.92 -3.508546392e+00 -3.508546392e+00 2.94 -3.512886842e+00 -3.512886842e+00 2.96 -3.511271185e+00 -3.511271185e+00 2.98 -3.504092560e+00 -3.504092560e+00 3.00 -3.491756921e+00 -3.491756921e+00 3.02 -3.474681336e+00 -3.474681336e+00 3.04 -3.453288761e+00 -3.453288761e+00 3.06 -3.428001664e+00 -3.428001664e+00 3.08 -3.399226460e+00 -3.399226460e+00 3.10 -3.367344226e+00 -3.367344226e+00 3.12 -3.332700553e+00 -3.332700553e+00 3.14 -3.295604863e+00 -3.295604863e+00 3.16 -3.256327703e+00 -3.256327703e+00 3.18 -3.215109004e+00 -3.215109004e+00 3.20 -3.172163353e+00 -3.172163353e+00 3.22 -3.127685243e+00 -3.127685243e+00 3.24 -3.081852632e+00 -3.081852632e+00 3.26 -3.034828911e+00 -3.034828911e+00 3.28 -2.986763862e+00 -2.986763862e+00 3.30 -2.937794289e+00 -2.937794289e+00 3.32 -2.888054184e+00 -2.888054184e+00 3.34 -2.837680717e+00 -2.837680717e+00 3.36 -2.786752157e+00 -2.786752157e+00 3.38 -2.735340514e+00 -2.735340514e+00 3.40 -2.683517519e+00 -2.683517519e+00 3.42 -2.631356606e+00 -2.631356606e+00 3.44 -2.578933760e+00 -2.578933760e+00 3.46 -2.526330079e+00 -2.526330079e+00 3.48 -2.473633378e+00 -2.473633378e+00 3.50 -2.420938523e+00 -2.420938523e+00 3.52 -2.368342107e+00 -2.368342107e+00 3.54 -2.315944491e+00 -2.315944491e+00 3.56 -2.263850453e+00 -2.263850453e+00 3.58 -2.212163835e+00 -2.212163835e+00 3.60 -2.160981597e+00 -2.160981597e+00 3.62 -2.110388420e+00 -2.110388420e+00 3.64 -2.060452955e+00 -2.060452955e+00 3.66 -2.011226383e+00 -2.011226383e+00 3.68 -1.962743325e+00 -1.962743325e+00 3.70 -1.915024552e+00 -1.915024552e+00 3.72 -1.868080630e+00 -1.868080630e+00 3.74 -1.821915659e+00 -1.821915659e+00 3.76 -1.776530439e+00 -1.776530439e+00 3.78 -1.731924749e+00 -1.731924749e+00 3.80 -1.688098688e+00 -1.688098688e+00 3.82 -1.645053217e+00 -1.645053217e+00 3.84 -1.602790147e+00 -1.602790147e+00 3.86 -1.561311804e+00 -1.561311804e+00 3.88 -1.520620565e+00 -1.520620565e+00 3.90 -1.480718395e+00 -1.480718395e+00 3.92 -1.441606094e+00 -1.441606094e+00 3.94 -1.403284479e+00 -1.403284479e+00 3.96 -1.365751808e+00 -1.365751808e+00 3.98 -1.329005300e+00 -1.329005300e+00 4.00 -1.293040619e+00 -1.293040619e+00 4.02 -1.257851855e+00 -1.257851855e+00 4.04 -1.223431567e+00 -1.223431567e+00 4.06 -1.189770882e+00 -1.189770882e+00 4.08 -1.156859651e+00 -1.156859651e+00 4.10 -1.124685403e+00 -1.124685403e+00 4.12 -1.093238946e+00 -1.093238946e+00 4.14 -1.062506367e+00 -1.062506367e+00 4.16 -1.032475297e+00 -1.032475297e+00 4.18 -1.003133782e+00 -1.003133782e+00 4.20 -9.744706967e-01 -9.744706967e-01 4.22 -9.464760851e-01 -9.464760851e-01 4.24 -9.191413774e-01 -9.191413774e-01 4.26 -8.924594292e-01 -8.924594292e-01 4.28 -8.664243475e-01 -8.664243475e-01 4.30 -8.410311049e-01 -8.410311049e-01 4.32 -8.162749826e-01 -8.162749826e-01 4.34 -7.921509239e-01 -7.921509239e-01 4.36 -7.686528986e-01 -7.686528986e-01 4.38 -7.457733819e-01 -7.457733819e-01 4.40 -7.235030204e-01 -7.235030204e-01 4.42 -7.018305179e-01 -7.018305179e-01 4.44 -6.807427272e-01 -6.807427272e-01 4.46 -6.602248984e-01 -6.602248984e-01 4.48 -6.402610169e-01 -6.402610169e-01 4.50 -6.208341651e-01 -6.208341651e-01 4.52 -6.019268552e-01 -6.019268552e-01 4.54 -5.835213004e-01 -5.835213004e-01 4.56 -5.655996133e-01 -5.655996133e-01 4.58 -5.481439337e-01 -5.481439337e-01 4.60 -5.311365028e-01 -5.311365028e-01 4.62 -5.145597008e-01 -5.145597008e-01 4.64 -4.983960709e-01 -4.983960709e-01 4.66 -4.826283498e-01 -4.826283498e-01 4.68 -4.672395214e-01 -4.672395214e-01 4.70 -4.522129103e-01 -4.522129103e-01 4.72 -4.375323245e-01 -4.375323245e-01 4.74 -4.231822571e-01 -4.231822571e-01 4.76 -4.091481491e-01 -4.091481491e-01 4.78 -3.954167112e-01 -3.954167112e-01 4.80 -3.819754980e-01 -3.819754980e-01 4.82 -3.688166248e-01 -3.688166248e-01 4.84 -3.559319909e-01 -3.559319909e-01 4.86 -3.433172605e-01 -3.433172605e-01 4.88 -3.309712028e-01 -3.309712028e-01 4.90 -3.188958477e-01 -3.188958477e-01 4.92 -3.070964607e-01 -3.070964607e-01 4.94 -2.955813004e-01 -2.955813004e-01 4.96 -2.843611400e-01 -2.843611400e-01 4.98 -2.734485609e-01 -2.734485609e-01 5.00 -2.628570578e-01 -2.628570578e-01 5.02 -2.526000231e-01 -2.526000231e-01 5.04 -2.426897001e-01 -2.426897001e-01 5.06 -2.331362027e-01 -2.331362027e-01 5.08 -2.239466965e-01 -2.239466965e-01 5.10 -2.151248148e-01 -2.151248148e-01 5.12 -2.066703519e-01 -2.066703519e-01 5.14 -1.985792421e-01 -1.985792421e-01 5.16 -1.908437978e-01 -1.908437978e-01 5.18 -1.834531517e-01 -1.834531517e-01 5.20 -1.763938340e-01 -1.763938340e-01 5.22 -1.696504110e-01 -1.696504110e-01 5.24 -1.632061180e-01 -1.632061180e-01 5.26 -1.570434338e-01 -1.570434338e-01 5.28 -1.511445637e-01 -1.511445637e-01 5.30 -1.454918148e-01 -1.454918148e-01 5.32 -1.400678627e-01 -1.400678627e-01 5.34 -1.348559227e-01 -1.348559227e-01 5.36 -1.298398434e-01 -1.298398434e-01 5.38 -1.250041442e-01 -1.250041442e-01 5.40 -1.203340196e-01 -1.203340196e-01 5.42 -1.158153282e-01 -1.158153282e-01 5.44 -1.114345818e-01 -1.114345818e-01 5.46 -1.071789473e-01 -1.071789473e-01 5.48 -1.030362667e-01 -1.030362667e-01 5.50 -9.899510208e-02 -9.899510208e-02 5.52 -9.504480446e-02 -9.504480446e-02 5.54 -9.117560792e-02 -9.117560792e-02 5.56 -8.737874550e-02 -8.737874550e-02 5.58 -8.364658281e-02 -8.364658281e-02 5.60 -7.997276281e-02 -7.997276281e-02 5.62 -7.635235318e-02 -7.635235318e-02 5.64 -7.278198473e-02 -7.278198473e-02 5.66 -6.925996814e-02 -6.925996814e-02 5.68 -6.578637102e-02 -6.578637102e-02 5.70 -6.236304316e-02 -6.236304316e-02 5.72 -5.899357256e-02 -5.899357256e-02 5.74 -5.568316053e-02 -5.568316053e-02 5.76 -5.243841030e-02 -5.243841030e-02 5.78 -4.926703212e-02 -4.926703212e-02 5.80 -4.617747384e-02 -4.617747384e-02 5.82 -4.317849890e-02 -4.317849890e-02 5.84 -4.027874288e-02 -4.027874288e-02 5.86 -3.748628002e-02 -3.748628002e-02 5.88 -3.480823455e-02 -3.480823455e-02 5.90 -3.225046653e-02 -3.225046653e-02 5.92 -2.981718041e-02 -2.981718041e-02 5.94 -2.751069282e-02 -2.751069282e-02 5.96 -2.533240137e-02 -2.533240137e-02 5.98 -2.328225145e-02 -2.328225145e-02 6.00 -2.135875977e-02 -2.135875977e-02