# 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 = AlFe2W # 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 2.133180839e+02 2.133180839e+02 1.30 1.956878077e+02 1.956878077e+02 1.32 1.794798781e+02 1.794798781e+02 1.34 1.645713065e+02 1.645713065e+02 1.36 1.508514520e+02 1.508514520e+02 1.38 1.382207630e+02 1.382207630e+02 1.40 1.265891894e+02 1.265891894e+02 1.42 1.158748685e+02 1.158748685e+02 1.44 1.060032165e+02 1.060032165e+02 1.46 9.690637053e+01 9.690637053e+01 1.48 8.852303920e+01 8.852303920e+01 1.50 8.079845772e+01 8.079845772e+01 1.52 7.368379018e+01 7.368379018e+01 1.54 6.713482949e+01 6.713482949e+01 1.56 6.111059206e+01 6.111059206e+01 1.58 5.557239418e+01 5.557239418e+01 1.60 5.048346729e+01 5.048346729e+01 1.62 4.580885346e+01 4.580885346e+01 1.64 4.151538443e+01 4.151538443e+01 1.66 3.757172811e+01 3.757172811e+01 1.68 3.394856179e+01 3.394856179e+01 1.70 3.061935106e+01 3.061935106e+01 1.72 2.755982703e+01 2.755982703e+01 1.74 2.474756725e+01 2.474756725e+01 1.76 2.216199967e+01 2.216199967e+01 1.78 1.978619926e+01 1.978619926e+01 1.80 1.760336420e+01 1.760336420e+01 1.82 1.559725582e+01 1.559725582e+01 1.84 1.375325182e+01 1.375325182e+01 1.86 1.205842756e+01 1.205842756e+01 1.88 1.050146041e+01 1.050146041e+01 1.90 9.072339805e+00 9.072339805e+00 1.92 7.761964319e+00 7.761964319e+00 1.94 6.561759996e+00 6.561759996e+00 1.96 5.463435944e+00 5.463435944e+00 1.98 4.458918225e+00 4.458918225e+00 2.00 3.540422759e+00 3.540422759e+00 2.02 2.700586595e+00 2.700586595e+00 2.04 1.932579925e+00 1.932579925e+00 2.06 1.230152585e+00 1.230152585e+00 2.08 5.876111551e-01 5.876111551e-01 2.10 -2.433829360e-04 -2.433829360e-04 2.12 -5.381778346e-01 -5.381778346e-01 2.14 -1.030562369e+00 -1.030562369e+00 2.16 -1.481375192e+00 -1.481375192e+00 2.18 -1.894189758e+00 -1.894189758e+00 2.20 -2.272164598e+00 -2.272164598e+00 2.22 -2.618051418e+00 -2.618051418e+00 2.24 -2.934122838e+00 -2.934122838e+00 2.26 -3.222491073e+00 -3.222491073e+00 2.28 -3.485101305e+00 -3.485101305e+00 2.30 -3.723644908e+00 -3.723644908e+00 2.32 -3.939621896e+00 -3.939621896e+00 2.34 -4.134388145e+00 -4.134388145e+00 2.36 -4.309182032e+00 -4.309182032e+00 2.38 -4.464947890e+00 -4.464947890e+00 2.40 -4.602405722e+00 -4.602405722e+00 2.42 -4.722330364e+00 -4.722330364e+00 2.44 -4.825554659e+00 -4.825554659e+00 2.46 -4.912965645e+00 -4.912965645e+00 2.48 -4.985503209e+00 -4.985503209e+00 2.50 -5.044155957e+00 -5.044155957e+00 2.52 -5.089951292e+00 -5.089951292e+00 2.54 -5.123939652e+00 -5.123939652e+00 2.56 -5.147174843e+00 -5.147174843e+00 2.58 -5.160692222e+00 -5.160692222e+00 2.60 -5.165484947e+00 -5.165484947e+00 2.62 -5.162477999e+00 -5.162477999e+00 2.64 -5.152501639e+00 -5.152501639e+00 2.66 -5.136268927e+00 -5.136268927e+00 2.68 -5.114365806e+00 -5.114365806e+00 2.70 -5.087989122e+00 -5.087989122e+00 2.72 -5.057718947e+00 -5.057718947e+00 2.74 -5.023357406e+00 -5.023357406e+00 2.76 -4.984718474e+00 -4.984718474e+00 2.78 -4.941616828e+00 -4.941616828e+00 2.80 -4.893888542e+00 -4.893888542e+00 2.82 -4.841404853e+00 -4.841404853e+00 2.84 -4.784104288e+00 -4.784104288e+00 2.86 -4.721973013e+00 -4.721973013e+00 2.88 -4.655028360e+00 -4.655028360e+00 2.90 -4.583317957e+00 -4.583317957e+00 2.92 -4.506781779e+00 -4.506781779e+00 2.94 -4.425294115e+00 -4.425294115e+00 2.96 -4.338857381e+00 -4.338857381e+00 2.98 -4.247606881e+00 -4.247606881e+00 3.00 -4.151802557e+00 -4.151802557e+00 3.02 -4.051815920e+00 -4.051815920e+00 3.04 -3.948110595e+00 -3.948110595e+00 3.06 -3.841216130e+00 -3.841216130e+00 3.08 -3.731696412e+00 -3.731696412e+00 3.10 -3.620116524e+00 -3.620116524e+00 3.12 -3.507012900e+00 -3.507012900e+00 3.14 -3.392871827e+00 -3.392871827e+00 3.16 -3.278119336e+00 -3.278119336e+00 3.18 -3.163122889e+00 -3.163122889e+00 3.20 -3.048202284e+00 -3.048202284e+00 3.22 -2.933645599e+00 -2.933645599e+00 3.24 -2.819725603e+00 -2.819725603e+00 3.26 -2.706713031e+00 -2.706713031e+00 3.28 -2.594884647e+00 -2.594884647e+00 3.30 -2.484525743e+00 -2.484525743e+00 3.32 -2.375928063e+00 -2.375928063e+00 3.34 -2.269384891e+00 -2.269384891e+00 3.36 -2.165185231e+00 -2.165185231e+00 3.38 -2.063608540e+00 -2.063608540e+00 3.40 -1.964920782e+00 -1.964920782e+00 3.42 -1.869371783e+00 -1.869371783e+00 3.44 -1.777193201e+00 -1.777193201e+00 3.46 -1.688596309e+00 -1.688596309e+00 3.48 -1.603768799e+00 -1.603768799e+00 3.50 -1.522870374e+00 -1.522870374e+00 3.52 -1.446027341e+00 -1.446027341e+00 3.54 -1.373326966e+00 -1.373326966e+00 3.56 -1.304812539e+00 -1.304812539e+00 3.58 -1.240480114e+00 -1.240480114e+00 3.60 -1.180277585e+00 -1.180277585e+00 3.62 -1.124106411e+00 -1.124106411e+00 3.64 -1.071825828e+00 -1.071825828e+00 3.66 -1.023259102e+00 -1.023259102e+00 3.68 -9.782010715e-01 -9.782010715e-01 3.70 -9.364262848e-01 -9.364262848e-01 3.72 -8.976970542e-01 -8.976970542e-01 3.74 -8.617708199e-01 -8.617708199e-01 3.76 -8.284061836e-01 -8.284061836e-01 3.78 -7.973688430e-01 -7.973688430e-01 3.80 -7.684350329e-01 -7.684350329e-01 3.82 -7.413939716e-01 -7.413939716e-01 3.84 -7.160495611e-01 -7.160495611e-01 3.86 -6.922211708e-01 -6.922211708e-01 3.88 -6.697437085e-01 -6.697437085e-01 3.90 -6.484671682e-01 -6.484671682e-01 3.92 -6.282558163e-01 -6.282558163e-01 3.94 -6.089871841e-01 -6.089871841e-01 3.96 -5.905509104e-01 -5.905509104e-01 3.98 -5.728476244e-01 -5.728476244e-01 4.00 -5.557878673e-01 -5.557878673e-01 4.02 -5.392911414e-01 -5.392911414e-01 4.04 -5.232851256e-01 -5.232851256e-01 4.06 -5.077050918e-01 -5.077050918e-01 4.08 -4.924935458e-01 -4.924935458e-01 4.10 -4.776000896e-01 -4.776000896e-01 4.12 -4.629815723e-01 -4.629815723e-01 4.14 -4.486023225e-01 -4.486023225e-01 4.16 -4.344346580e-01 -4.344346580e-01 4.18 -4.204594012e-01 -4.204594012e-01 4.20 -4.066663682e-01 -4.066663682e-01 4.22 -3.930546811e-01 -3.930546811e-01 4.24 -3.796327540e-01 -3.796327540e-01 4.26 -3.664178140e-01 -3.664178140e-01 4.28 -3.534348532e-01 -3.534348532e-01 4.30 -3.407149769e-01 -3.407149769e-01 4.32 -3.282931999e-01 -3.282931999e-01 4.34 -3.162058416e-01 -3.162058416e-01 4.36 -3.044877498e-01 -3.044877498e-01 4.38 -2.931696316e-01 -2.931696316e-01 4.40 -2.822757645e-01 -2.822757645e-01 4.42 -2.718223079e-01 -2.718223079e-01 4.44 -2.618163420e-01 -2.618163420e-01 4.46 -2.522556556e-01 -2.522556556e-01 4.48 -2.431292031e-01 -2.431292031e-01 4.50 -2.344180842e-01 -2.344180842e-01 4.52 -2.260968620e-01 -2.260968620e-01 4.54 -2.181350398e-01 -2.181350398e-01 4.56 -2.104985413e-01 -2.104985413e-01 4.58 -2.031510861e-01 -2.031510861e-01 4.60 -1.960553924e-01 -1.960553924e-01 4.62 -1.891740450e-01 -1.891740450e-01 4.64 -1.824705023e-01 -1.824705023e-01 4.66 -1.759099871e-01 -1.759099871e-01 4.68 -1.694596323e-01 -1.694596323e-01 4.70 -1.630889831e-01 -1.630889831e-01 4.72 -1.567704495e-01 -1.567704495e-01 4.74 -1.504797433e-01 -1.504797433e-01 4.76 -1.441963216e-01 -1.441963216e-01 4.78 -1.379038515e-01 -1.379038515e-01 4.80 -1.315906816e-01 -1.315906816e-01 4.82 -1.252503346e-01 -1.252503346e-01 4.84 -1.188818923e-01 -1.188818923e-01 4.86 -1.124903437e-01 -1.124903437e-01 4.88 -1.060867402e-01 -1.060867402e-01 4.90 -9.968813486e-02 -9.968813486e-02 4.92 -9.331724537e-02 -9.331724537e-02 4.94 -8.700180292e-02 -8.700180292e-02 4.96 -8.077358109e-02 -8.077358109e-02 4.98 -7.466713245e-02 -7.466713245e-02 5.00 -6.871829942e-02 -6.871829942e-02 5.02 -6.296259931e-02 -6.296259931e-02 5.04 -5.743360616e-02 -5.743360616e-02 5.06 -5.216145829e-02 -5.216145829e-02 5.08 -4.717160909e-02 -4.717160909e-02 5.10 -4.248391078e-02 -4.248391078e-02 5.12 -3.811208164e-02 -3.811208164e-02 5.14 -3.406356470e-02 -3.406356470e-02 5.16 -3.033974712e-02 -3.033974712e-02 5.18 -2.693647238e-02 -2.693647238e-02 5.20 -2.384477096e-02 -2.384477096e-02 5.22 -2.105172474e-02 -2.105172474e-02 5.24 -1.854137751e-02 -1.854137751e-02 5.26 -1.629557839e-02 -1.629557839e-02 5.28 -1.429427130e-02 -1.429427130e-02 5.30 -1.251769149e-02 -1.251769149e-02 5.32 -1.094618323e-02 -1.094618323e-02 5.34 -9.560376398e-03 -9.560376398e-03 5.36 -8.341612140e-03 -8.341612140e-03 5.38 -7.272240682e-03 -7.272240682e-03 5.40 -6.335811748e-03 -6.335811748e-03 5.42 -5.517178629e-03 -5.517178629e-03 5.44 -4.802535374e-03 -4.802535374e-03 5.46 -4.179404277e-03 -4.179404277e-03 5.48 -3.636588134e-03 -3.636588134e-03 5.50 -3.164098994e-03 -3.164098994e-03 5.52 -2.753072644e-03 -2.753072644e-03 5.54 -2.395675819e-03 -2.395675819e-03 5.56 -2.085011303e-03 -2.085011303e-03 5.58 -1.815024571e-03 -1.815024571e-03 5.60 -1.580414445e-03 -1.580414445e-03 5.62 -1.376549314e-03 -1.376549314e-03 5.64 -1.199389788e-03 -1.199389788e-03 5.66 -1.045418183e-03 -1.045418183e-03 5.68 -9.115748398e-04 -9.115748398e-04 5.70 -7.952010876e-04 -7.952010876e-04 5.72 -6.939884856e-04 -6.939884856e-04 5.74 -6.059338922e-04 -6.059338922e-04 5.76 -5.292998701e-04 -5.292998701e-04 5.78 -4.625799212e-04 -4.625799212e-04 5.80 -4.044680566e-04 -4.044680566e-04 5.82 -3.538322270e-04 -3.538322270e-04 5.84 -3.096911732e-04 -3.096911732e-04 5.86 -2.711942913e-04 -2.711942913e-04 5.88 -2.376041450e-04 -2.376041450e-04 5.90 -2.082812936e-04 -2.082812936e-04 5.92 -1.826711430e-04 -1.826711430e-04 5.94 -1.602925558e-04 -1.602925558e-04 5.96 -1.407279929e-04 -1.407279929e-04 5.98 -1.236149835e-04 -1.236149835e-04 6.00 -1.086387459e-04 -1.086387459e-04