# 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 = Ag2MoW # 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 3.552035245e+02 3.552035245e+02 1.30 3.287243302e+02 3.287243302e+02 1.32 3.042567057e+02 3.042567057e+02 1.34 2.816313612e+02 2.816313612e+02 1.36 2.606930731e+02 2.606930731e+02 1.38 2.413006981e+02 2.413006981e+02 1.40 2.233272073e+02 2.233272073e+02 1.42 2.066589292e+02 2.066589292e+02 1.44 1.911939741e+02 1.911939741e+02 1.46 1.768403671e+02 1.768403671e+02 1.48 1.635145653e+02 1.635145653e+02 1.50 1.511406192e+02 1.511406192e+02 1.52 1.396496595e+02 1.396496595e+02 1.54 1.289792686e+02 1.289792686e+02 1.56 1.190726226e+02 1.190726226e+02 1.58 1.098775440e+02 1.098775440e+02 1.60 1.013455924e+02 1.013455924e+02 1.62 9.343126529e+01 9.343126529e+01 1.64 8.609137591e+01 8.609137591e+01 1.66 7.928468474e+01 7.928468474e+01 1.68 7.297182260e+01 7.297182260e+01 1.70 6.711546403e+01 6.711546403e+01 1.72 6.168061118e+01 6.168061118e+01 1.74 5.663482925e+01 5.663482925e+01 1.76 5.194881928e+01 5.194881928e+01 1.78 4.759591018e+01 4.759591018e+01 1.80 4.355358175e+01 4.355358175e+01 1.82 3.979987107e+01 3.979987107e+01 1.84 3.631628694e+01 3.631628694e+01 1.86 3.308629159e+01 3.308629159e+01 1.88 3.009284758e+01 3.009284758e+01 1.90 2.732032731e+01 2.732032731e+01 1.92 2.475421749e+01 2.475421749e+01 1.94 2.238085477e+01 2.238085477e+01 1.96 2.018723617e+01 2.018723617e+01 1.98 1.816092078e+01 1.816092078e+01 2.00 1.629000546e+01 1.629000546e+01 2.02 1.456313578e+01 1.456313578e+01 2.04 1.296951321e+01 1.296951321e+01 2.06 1.149887937e+01 1.149887937e+01 2.08 1.014148573e+01 1.014148573e+01 2.10 8.888077602e+00 8.888077602e+00 2.12 7.729918515e+00 7.729918515e+00 2.14 6.658859419e+00 6.658859419e+00 2.16 5.667431051e+00 5.667431051e+00 2.18 4.748924199e+00 4.748924199e+00 2.20 3.897426361e+00 3.897426361e+00 2.22 3.107799843e+00 3.107799843e+00 2.24 2.375605971e+00 2.375605971e+00 2.26 1.696994311e+00 1.696994311e+00 2.28 1.068580491e+00 1.068580491e+00 2.30 4.873325728e-01 4.873325728e-01 2.32 -4.952216996e-02 -4.952216996e-02 2.34 -5.445434364e-01 -5.445434364e-01 2.36 -1.000096982e+00 -1.000096982e+00 2.38 -1.418588476e+00 -1.418588476e+00 2.40 -1.802319029e+00 -1.802319029e+00 2.42 -2.153473370e+00 -2.153473370e+00 2.44 -2.474123370e+00 -2.474123370e+00 2.46 -2.766227949e+00 -2.766227949e+00 2.48 -3.031631963e+00 -3.031631963e+00 2.50 -3.272031599e+00 -3.272031599e+00 2.52 -3.488742232e+00 -3.488742232e+00 2.54 -3.682864350e+00 -3.682864350e+00 2.56 -3.855701102e+00 -3.855701102e+00 2.58 -4.008514399e+00 -4.008514399e+00 2.60 -4.142503717e+00 -4.142503717e+00 2.62 -4.258806988e+00 -4.258806988e+00 2.64 -4.358496760e+00 -4.358496760e+00 2.66 -4.442573353e+00 -4.442573353e+00 2.68 -4.511870170e+00 -4.511870170e+00 2.70 -4.566934044e+00 -4.566934044e+00 2.72 -4.608263356e+00 -4.608263356e+00 2.74 -4.636353098e+00 -4.636353098e+00 2.76 -4.651700278e+00 -4.651700278e+00 2.78 -4.654811168e+00 -4.654811168e+00 2.80 -4.646209090e+00 -4.646209090e+00 2.82 -4.626442530e+00 -4.626442530e+00 2.84 -4.596094074e+00 -4.596094074e+00 2.86 -4.555790434e+00 -4.555790434e+00 2.88 -4.506213178e+00 -4.506213178e+00 2.90 -4.448108773e+00 -4.448108773e+00 2.92 -4.382295687e+00 -4.382295687e+00 2.94 -4.309665878e+00 -4.309665878e+00 2.96 -4.231178162e+00 -4.231178162e+00 2.98 -4.147841916e+00 -4.147841916e+00 3.00 -4.060691014e+00 -4.060691014e+00 3.02 -3.970749757e+00 -3.970749757e+00 3.04 -3.878994195e+00 -3.878994195e+00 3.06 -3.786385376e+00 -3.786385376e+00 3.08 -3.693855433e+00 -3.693855433e+00 3.10 -3.601794646e+00 -3.601794646e+00 3.12 -3.510432983e+00 -3.510432983e+00 3.14 -3.419872749e+00 -3.419872749e+00 3.16 -3.330093956e+00 -3.330093956e+00 3.18 -3.240969289e+00 -3.240969289e+00 3.20 -3.152287852e+00 -3.152287852e+00 3.22 -3.063803898e+00 -3.063803898e+00 3.24 -2.975253609e+00 -2.975253609e+00 3.26 -2.886363903e+00 -2.886363903e+00 3.28 -2.796877850e+00 -2.796877850e+00 3.30 -2.706578265e+00 -2.706578265e+00 3.32 -2.615308733e+00 -2.615308733e+00 3.34 -2.522991604e+00 -2.522991604e+00 3.36 -2.429642231e+00 -2.429642231e+00 3.38 -2.335378496e+00 -2.335378496e+00 3.40 -2.240424523e+00 -2.240424523e+00 3.42 -2.145107568e+00 -2.145107568e+00 3.44 -2.049847520e+00 -2.049847520e+00 3.46 -1.955139128e+00 -1.955139128e+00 3.48 -1.861527950e+00 -1.861527950e+00 3.50 -1.769581948e+00 -1.769581948e+00 3.52 -1.679861299e+00 -1.679861299e+00 3.54 -1.592889341e+00 -1.592889341e+00 3.56 -1.509127377e+00 -1.509127377e+00 3.58 -1.428955496e+00 -1.428955496e+00 3.60 -1.352660631e+00 -1.352660631e+00 3.62 -1.280432119e+00 -1.280432119e+00 3.64 -1.212364086e+00 -1.212364086e+00 3.66 -1.148463353e+00 -1.148463353e+00 3.68 -1.088661203e+00 -1.088661203e+00 3.70 -1.032827297e+00 -1.032827297e+00 3.72 -9.807842169e-01 -9.807842169e-01 3.74 -9.323214196e-01 -9.323214196e-01 3.76 -8.872077835e-01 -8.872077835e-01 3.78 -8.452022551e-01 -8.452022551e-01 3.80 -8.060624240e-01 -8.060624240e-01 3.82 -7.695510634e-01 -7.695510634e-01 3.84 -7.354408256e-01 -7.354408256e-01 3.86 -7.035173538e-01 -7.035173538e-01 3.88 -6.735811066e-01 -6.735811066e-01 3.90 -6.454481821e-01 -6.454481821e-01 3.92 -6.189503986e-01 -6.189503986e-01 3.94 -5.939348620e-01 -5.939348620e-01 3.96 -5.702631861e-01 -5.702631861e-01 3.98 -5.478105270e-01 -5.478105270e-01 4.00 -5.264645268e-01 -5.264645268e-01 4.02 -5.061242526e-01 -5.061242526e-01 4.04 -4.866991873e-01 -4.866991873e-01 4.06 -4.681083132e-01 -4.681083132e-01 4.08 -4.502793133e-01 -4.502793133e-01 4.10 -4.331479027e-01 -4.331479027e-01 4.12 -4.166573081e-01 -4.166573081e-01 4.14 -4.007578487e-01 -4.007578487e-01 4.16 -3.854066543e-01 -3.854066543e-01 4.18 -3.705674467e-01 -3.705674467e-01 4.20 -3.562103585e-01 -3.562103585e-01 4.22 -3.423117313e-01 -3.423117313e-01 4.24 -3.288538320e-01 -3.288538320e-01 4.26 -3.158244255e-01 -3.158244255e-01 4.28 -3.032161548e-01 -3.032161548e-01 4.30 -2.910256996e-01 -2.910256996e-01 4.32 -2.792527186e-01 -2.792527186e-01 4.34 -2.678986223e-01 -2.678986223e-01 4.36 -2.569652557e-01 -2.569652557e-01 4.38 -2.464536029e-01 -2.464536029e-01 4.40 -2.363626283e-01 -2.363626283e-01 4.42 -2.266883681e-01 -2.266883681e-01 4.44 -2.174233378e-01 -2.174233378e-01 4.46 -2.085562845e-01 -2.085562845e-01 4.48 -2.000718364e-01 -2.000718364e-01 4.50 -1.919517812e-01 -1.919517812e-01 4.52 -1.841754584e-01 -1.841754584e-01 4.54 -1.767199408e-01 -1.767199408e-01 4.56 -1.695607899e-01 -1.695607899e-01 4.58 -1.626727684e-01 -1.626727684e-01 4.60 -1.560304707e-01 -1.560304707e-01 4.62 -1.496088548e-01 -1.496088548e-01 4.64 -1.433836756e-01 -1.433836756e-01 4.66 -1.373318330e-01 -1.373318330e-01 4.68 -1.314316549e-01 -1.314316549e-01 4.70 -1.256631381e-01 -1.256631381e-01 4.72 -1.200081669e-01 -1.200081669e-01 4.74 -1.144507285e-01 -1.144507285e-01 4.76 -1.089771363e-01 -1.089771363e-01 4.78 -1.035762659e-01 -1.035762659e-01 4.80 -9.823979946e-02 -9.823979946e-02 4.82 -9.296247380e-02 -9.296247380e-02 4.84 -8.774229465e-02 -8.774229465e-02 4.86 -8.258071384e-02 -8.258071384e-02 4.88 -7.748271803e-02 -7.748271803e-02 4.90 -7.245680183e-02 -7.245680183e-02 4.92 -6.751479167e-02 -6.751479167e-02 4.94 -6.267149622e-02 -6.267149622e-02 4.96 -5.794417285e-02 -5.794417285e-02 4.98 -5.335181823e-02 -5.335181823e-02 5.00 -4.891431188e-02 -4.891431188e-02 5.02 -4.465146742e-02 -4.465146742e-02 5.04 -4.058205221e-02 -4.058205221e-02 5.06 -3.672285269e-02 -3.672285269e-02 5.08 -3.308786346e-02 -3.308786346e-02 5.10 -2.968765709e-02 -2.968765709e-02 5.12 -2.652898165e-02 -2.652898165e-02 5.14 -2.361461008e-02 -2.361461008e-02 5.16 -2.094341936e-02 -2.094341936e-02 5.18 -1.851067485e-02 -1.851067485e-02 5.20 -1.630831297e-02 -1.630831297e-02 5.22 -1.432556397e-02 -1.432556397e-02 5.24 -1.255015375e-02 -1.255015375e-02 5.26 -1.096829785e-02 -1.096829785e-02 5.28 -9.565274608e-03 -9.565274608e-03 5.30 -8.325958239e-03 -8.325958239e-03 5.32 -7.235265227e-03 -7.235265227e-03 5.34 -6.278509061e-03 -6.278509061e-03 5.36 -5.441666291e-03 -5.441666291e-03 5.38 -4.711562109e-03 -4.711562109e-03 5.40 -4.075986554e-03 -4.075986554e-03 5.42 -3.523753672e-03 -3.523753672e-03 5.44 -3.044715741e-03 -3.044715741e-03 5.46 -2.629743739e-03 -2.629743739e-03 5.48 -2.270683744e-03 -2.270683744e-03 5.50 -1.960297343e-03 -1.960297343e-03 5.52 -1.692192521e-03 -1.692192521e-03 5.54 -1.460750013e-03 -1.460750013e-03 5.56 -1.261048820e-03 -1.261048820e-03 5.58 -1.088793522e-03 -1.088793522e-03 5.60 -9.402451685e-04 -9.402451685e-04 5.62 -8.121568336e-04 -8.121568336e-04 5.64 -7.017144538e-04 -7.017144538e-04 5.66 -6.064831581e-04 -6.064831581e-04 5.68 -5.243590666e-04 -5.243590666e-04 5.70 -4.535263465e-04 -4.535263465e-04 5.72 -3.924192060e-04 -3.924192060e-04 5.74 -3.396884431e-04 -3.396884431e-04 5.76 -2.941721386e-04 -2.941721386e-04 5.78 -2.548700786e-04 -2.548700786e-04 5.80 -2.209215034e-04 -2.209215034e-04 5.82 -1.915858013e-04 -1.915858013e-04 5.84 -1.662257954e-04 -1.662257954e-04 5.86 -1.442933022e-04 -1.442933022e-04 5.88 -1.253166714e-04 -1.253166714e-04 5.90 -1.088900488e-04 -1.088900488e-04 5.92 -9.466413460e-05 -9.466413460e-05 5.94 -8.233823300e-05 -8.233823300e-05 5.96 -7.165341918e-05 -7.165341918e-05 5.98 -6.238666813e-05 -6.238666813e-05 6.00 -5.434581229e-05 -5.434581229e-05