# 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 = CoPbZr2 # 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 3.808777634e+02 3.808777634e+02 1.30 3.553074114e+02 3.553074114e+02 1.32 3.315438913e+02 3.315438913e+02 1.34 3.094437596e+02 3.094437596e+02 1.36 2.888760101e+02 2.888760101e+02 1.38 2.697220992e+02 2.697220992e+02 1.40 2.518753767e+02 2.518753767e+02 1.42 2.352398513e+02 2.352398513e+02 1.44 2.197284046e+02 2.197284046e+02 1.46 2.052606128e+02 2.052606128e+02 1.48 1.917610741e+02 1.917610741e+02 1.50 1.791590330e+02 1.791590330e+02 1.52 1.673888988e+02 1.673888988e+02 1.54 1.563904807e+02 1.563904807e+02 1.56 1.461087534e+02 1.461087534e+02 1.58 1.364932727e+02 1.364932727e+02 1.60 1.274976105e+02 1.274976105e+02 1.62 1.190788784e+02 1.190788784e+02 1.64 1.111974687e+02 1.111974687e+02 1.66 1.038168340e+02 1.038168340e+02 1.68 9.690328579e+01 9.690328579e+01 1.70 9.042576732e+01 9.042576732e+01 1.72 8.435547039e+01 8.435547039e+01 1.74 7.866544034e+01 7.866544034e+01 1.76 7.333032396e+01 7.333032396e+01 1.78 6.832634204e+01 6.832634204e+01 1.80 6.363137012e+01 6.363137012e+01 1.82 5.922496672e+01 5.922496672e+01 1.84 5.508832521e+01 5.508832521e+01 1.86 5.120421035e+01 5.120421035e+01 1.88 4.755682267e+01 4.755682267e+01 1.90 4.413161633e+01 4.413161633e+01 1.92 4.091581641e+01 4.091581641e+01 1.94 3.789709014e+01 3.789709014e+01 1.96 3.506329480e+01 3.506329480e+01 1.98 3.240621746e+01 3.240621746e+01 2.00 2.991771534e+01 2.991771534e+01 2.02 2.758689678e+01 2.758689678e+01 2.04 2.540357283e+01 2.540357283e+01 2.06 2.335829680e+01 2.335829680e+01 2.08 2.144233278e+01 2.144233278e+01 2.10 1.964762231e+01 1.964762231e+01 2.12 1.796670978e+01 1.796670978e+01 2.14 1.639267570e+01 1.639267570e+01 2.16 1.491906955e+01 1.491906955e+01 2.18 1.353984484e+01 1.353984484e+01 2.20 1.224932083e+01 1.224932083e+01 2.22 1.104213668e+01 1.104213668e+01 2.24 9.913228233e+00 9.913228233e+00 2.26 8.857822928e+00 8.857822928e+00 2.28 7.871428725e+00 7.871428725e+00 2.30 6.949862167e+00 6.949862167e+00 2.32 6.089215781e+00 6.089215781e+00 2.34 5.285838148e+00 5.285838148e+00 2.36 4.536293953e+00 4.536293953e+00 2.38 3.837330171e+00 3.837330171e+00 2.40 3.185851470e+00 3.185851470e+00 2.42 2.578900067e+00 2.578900067e+00 2.44 2.013658392e+00 2.013658392e+00 2.46 1.487448185e+00 1.487448185e+00 2.48 9.977440288e-01 9.977440288e-01 2.50 5.421859195e-01 5.421859195e-01 2.52 1.185845558e-01 1.185845558e-01 2.54 -2.750846726e-01 -2.750846726e-01 2.56 -6.406964497e-01 -6.406964497e-01 2.58 -9.799926123e-01 -9.799926123e-01 2.60 -1.294596109e+00 -1.294596109e+00 2.62 -1.586018845e+00 -1.586018845e+00 2.64 -1.855673950e+00 -1.855673950e+00 2.66 -2.104873057e+00 -2.104873057e+00 2.68 -2.334842206e+00 -2.334842206e+00 2.70 -2.546730951e+00 -2.546730951e+00 2.72 -2.741719929e+00 -2.741719929e+00 2.74 -2.920827525e+00 -2.920827525e+00 2.76 -3.084912513e+00 -3.084912513e+00 2.78 -3.234807048e+00 -3.234807048e+00 2.80 -3.371320414e+00 -3.371320414e+00 2.82 -3.495215175e+00 -3.495215175e+00 2.84 -3.607216943e+00 -3.607216943e+00 2.86 -3.708010916e+00 -3.708010916e+00 2.88 -3.798230572e+00 -3.798230572e+00 2.90 -3.878300136e+00 -3.878300136e+00 2.92 -3.948534893e+00 -3.948534893e+00 2.94 -4.009280943e+00 -4.009280943e+00 2.96 -4.060912044e+00 -4.060912044e+00 2.98 -4.103841586e+00 -4.103841586e+00 3.00 -4.138498021e+00 -4.138498021e+00 3.02 -4.165276242e+00 -4.165276242e+00 3.04 -4.184577525e+00 -4.184577525e+00 3.06 -4.196823814e+00 -4.196823814e+00 3.08 -4.202423548e+00 -4.202423548e+00 3.10 -4.201789913e+00 -4.201789913e+00 3.12 -4.195331380e+00 -4.195331380e+00 3.14 -4.183462864e+00 -4.183462864e+00 3.16 -4.166587975e+00 -4.166587975e+00 3.18 -4.145093117e+00 -4.145093117e+00 3.20 -4.119332859e+00 -4.119332859e+00 3.22 -4.089658634e+00 -4.089658634e+00 3.24 -4.056417344e+00 -4.056417344e+00 3.26 -4.019948021e+00 -4.019948021e+00 3.28 -3.980579939e+00 -3.980579939e+00 3.30 -3.938631332e+00 -3.938631332e+00 3.32 -3.894407508e+00 -3.894407508e+00 3.34 -3.848197561e+00 -3.848197561e+00 3.36 -3.800269908e+00 -3.800269908e+00 3.38 -3.750867769e+00 -3.750867769e+00 3.40 -3.700204294e+00 -3.700204294e+00 3.42 -3.648469007e+00 -3.648469007e+00 3.44 -3.595817882e+00 -3.595817882e+00 3.46 -3.542384956e+00 -3.542384956e+00 3.48 -3.488284365e+00 -3.488284365e+00 3.50 -3.433614493e+00 -3.433614493e+00 3.52 -3.378461433e+00 -3.378461433e+00 3.54 -3.322901540e+00 -3.322901540e+00 3.56 -3.267003135e+00 -3.267003135e+00 3.58 -3.210827586e+00 -3.210827586e+00 3.60 -3.154430037e+00 -3.154430037e+00 3.62 -3.097860058e+00 -3.097860058e+00 3.64 -3.041162438e+00 -3.041162438e+00 3.66 -2.984378267e+00 -2.984378267e+00 3.68 -2.927549257e+00 -2.927549257e+00 3.70 -2.870738339e+00 -2.870738339e+00 3.72 -2.813973503e+00 -2.813973503e+00 3.74 -2.757280745e+00 -2.757280745e+00 3.76 -2.700697008e+00 -2.700697008e+00 3.78 -2.644272108e+00 -2.644272108e+00 3.80 -2.588070126e+00 -2.588070126e+00 3.82 -2.532169786e+00 -2.532169786e+00 3.84 -2.476663384e+00 -2.476663384e+00 3.86 -2.421653936e+00 -2.421653936e+00 3.88 -2.367250365e+00 -2.367250365e+00 3.90 -2.313558882e+00 -2.313558882e+00 3.92 -2.260671545e+00 -2.260671545e+00 3.94 -2.208679807e+00 -2.208679807e+00 3.96 -2.157645495e+00 -2.157645495e+00 3.98 -2.107614790e+00 -2.107614790e+00 4.00 -2.058613055e+00 -2.058613055e+00 4.02 -2.010646342e+00 -2.010646342e+00 4.04 -1.963704433e+00 -1.963704433e+00 4.06 -1.917764702e+00 -1.917764702e+00 4.08 -1.872796100e+00 -1.872796100e+00 4.10 -1.828755394e+00 -1.828755394e+00 4.12 -1.785621208e+00 -1.785621208e+00 4.14 -1.743347556e+00 -1.743347556e+00 4.16 -1.701899799e+00 -1.701899799e+00 4.18 -1.661246680e+00 -1.661246680e+00 4.20 -1.621360984e+00 -1.621360984e+00 4.22 -1.582219847e+00 -1.582219847e+00 4.24 -1.543804770e+00 -1.543804770e+00 4.26 -1.506101395e+00 -1.506101395e+00 4.28 -1.469099055e+00 -1.469099055e+00 4.30 -1.432790151e+00 -1.432790151e+00 4.32 -1.397169391e+00 -1.397169391e+00 4.34 -1.362232965e+00 -1.362232965e+00 4.36 -1.327977741e+00 -1.327977741e+00 4.38 -1.294400558e+00 -1.294400558e+00 4.40 -1.261497675e+00 -1.261497675e+00 4.42 -1.229264419e+00 -1.229264419e+00 4.44 -1.197695015e+00 -1.197695015e+00 4.46 -1.166782577e+00 -1.166782577e+00 4.48 -1.136519204e+00 -1.136519204e+00 4.50 -1.106896125e+00 -1.106896125e+00 4.52 -1.077903870e+00 -1.077903870e+00 4.54 -1.049532406e+00 -1.049532406e+00 4.56 -1.021771252e+00 -1.021771252e+00 4.58 -9.946095554e-01 -9.946095554e-01 4.60 -9.680361446e-01 -9.680361446e-01 4.62 -9.420395609e-01 -9.420395609e-01 4.64 -9.166080944e-01 -9.166080944e-01 4.66 -8.917298290e-01 -8.917298290e-01 4.68 -8.673927106e-01 -8.673927106e-01 4.70 -8.435846451e-01 -8.435846451e-01 4.72 -8.202936317e-01 -8.202936317e-01 4.74 -7.975079329e-01 -7.975079329e-01 4.76 -7.752162756e-01 -7.752162756e-01 4.78 -7.534080789e-01 -7.534080789e-01 4.80 -7.320670220e-01 -7.320670220e-01 4.82 -7.111990673e-01 -7.111990673e-01 4.84 -6.907890972e-01 -6.907890972e-01 4.86 -6.708314928e-01 -6.708314928e-01 4.88 -6.513221553e-01 -6.513221553e-01 4.90 -6.322584267e-01 -6.322584267e-01 4.92 -6.136388724e-01 -6.136388724e-01 4.94 -5.954629243e-01 -5.954629243e-01 4.96 -5.777304018e-01 -5.777304018e-01 4.98 -5.604409492e-01 -5.604409492e-01 5.00 -5.435934456e-01 -5.435934456e-01 5.02 -5.271854526e-01 -5.271854526e-01 5.04 -5.112127623e-01 -5.112127623e-01 5.06 -4.956690974e-01 -4.956690974e-01 5.08 -4.805459906e-01 -4.805459906e-01 5.10 -4.658328486e-01 -4.658328486e-01 5.12 -4.515171810e-01 -4.515171810e-01 5.14 -4.375849587e-01 -4.375849587e-01 5.16 -4.240210588e-01 -4.240210588e-01 5.18 -4.108097515e-01 -4.108097515e-01 5.20 -3.979351928e-01 -3.979351928e-01 5.22 -3.853818945e-01 -3.853818945e-01 5.24 -3.731351553e-01 -3.731351553e-01 5.26 -3.611814434e-01 -3.611814434e-01 5.28 -3.495087292e-01 -3.495087292e-01 5.30 -3.381067647e-01 -3.381067647e-01 5.32 -3.269673117e-01 -3.269673117e-01 5.34 -3.160843099e-01 -3.160843099e-01 5.36 -3.054539783e-01 -3.054539783e-01 5.38 -2.950748328e-01 -2.950748328e-01 5.40 -2.849476056e-01 -2.849476056e-01 5.42 -2.750750493e-01 -2.750750493e-01 5.44 -2.654616162e-01 -2.654616162e-01 5.46 -2.561130149e-01 -2.561130149e-01 5.48 -2.470356581e-01 -2.470356581e-01 5.50 -2.382360336e-01 -2.382360336e-01 5.52 -2.297200435e-01 -2.297200435e-01 5.54 -2.214923648e-01 -2.214923648e-01 5.56 -2.135558872e-01 -2.135558872e-01 5.58 -2.059112757e-01 -2.059112757e-01 5.60 -1.985566911e-01 -1.985566911e-01 5.62 -1.914876835e-01 -1.914876835e-01 5.64 -1.846972529e-01 -1.846972529e-01 5.66 -1.781760559e-01 -1.781760559e-01 5.68 -1.719127224e-01 -1.719127224e-01 5.70 -1.658942443e-01 -1.658942443e-01 5.72 -1.601063960e-01 -1.601063960e-01 5.74 -1.545341527e-01 -1.545341527e-01 5.76 -1.491620803e-01 -1.491620803e-01 5.78 -1.439746794e-01 -1.439746794e-01 5.80 -1.389566744e-01 -1.389566744e-01 5.82 -1.340932469e-01 -1.340932469e-01 5.84 -1.293702140e-01 -1.293702140e-01 5.86 -1.247741602e-01 -1.247741602e-01 5.88 -1.202925303e-01 -1.202925303e-01 5.90 -1.159136910e-01 -1.159136910e-01 5.92 -1.116269703e-01 -1.116269703e-01 5.94 -1.074226817e-01 -1.074226817e-01 5.96 -1.032921374e-01 -1.032921374e-01 5.98 -9.922755746e-02 -9.922755746e-02 6.00 -9.522225259e-02 -9.522225259e-02