# 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 = CuMo2Pd # 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 2.595585023e+02 2.595585023e+02 1.30 2.401282597e+02 2.401282597e+02 1.32 2.221575065e+02 2.221575065e+02 1.34 2.055255447e+02 2.055255447e+02 1.36 1.901206775e+02 1.901206775e+02 1.38 1.758399585e+02 1.758399585e+02 1.40 1.625898262e+02 1.625898262e+02 1.42 1.502865462e+02 1.502865462e+02 1.44 1.388558288e+02 1.388558288e+02 1.46 1.282315752e+02 1.282315752e+02 1.48 1.183542630e+02 1.183542630e+02 1.50 1.091696303e+02 1.091696303e+02 1.52 1.006279337e+02 1.006279337e+02 1.54 9.268353066e+01 9.268353066e+01 1.56 8.529441832e+01 8.529441832e+01 1.58 7.842167836e+01 7.842167836e+01 1.60 7.202903853e+01 7.202903853e+01 1.62 6.608267074e+01 6.608267074e+01 1.64 6.055112419e+01 6.055112419e+01 1.66 5.540524616e+01 5.540524616e+01 1.68 5.061805149e+01 5.061805149e+01 1.70 4.616455948e+01 4.616455948e+01 1.72 4.202251683e+01 4.202251683e+01 1.74 3.817480623e+01 3.817480623e+01 1.76 3.460412622e+01 3.460412622e+01 1.78 3.130734159e+01 3.130734159e+01 1.80 2.826686562e+01 2.826686562e+01 1.82 2.546323725e+01 2.546323725e+01 1.84 2.287828578e+01 2.287828578e+01 1.86 2.049520893e+01 2.049520893e+01 1.88 1.829859490e+01 1.829859490e+01 1.90 1.627438964e+01 1.627438964e+01 1.92 1.440981177e+01 1.440981177e+01 1.94 1.269322636e+01 1.269322636e+01 1.96 1.111399631e+01 1.111399631e+01 1.98 9.662325300e+00 9.662325300e+00 2.00 8.329099612e+00 8.329099612e+00 2.02 7.105737172e+00 7.105737172e+00 2.04 5.984057067e+00 5.984057067e+00 2.06 4.956185927e+00 4.956185927e+00 2.08 4.014516790e+00 4.014516790e+00 2.10 3.151729509e+00 3.151729509e+00 2.12 2.360868099e+00 2.360868099e+00 2.14 1.635452785e+00 1.635452785e+00 2.16 9.695914669e-01 9.695914669e-01 2.18 3.580546300e-01 3.580546300e-01 2.20 -2.037092156e-01 -2.037092156e-01 2.22 -7.196203407e-01 -7.196203407e-01 2.24 -1.193061811e+00 -1.193061811e+00 2.26 -1.626996416e+00 -1.626996416e+00 2.28 -2.024082014e+00 -2.024082014e+00 2.30 -2.386766181e+00 -2.386766181e+00 2.32 -2.717348939e+00 -2.717348939e+00 2.34 -3.018011352e+00 -3.018011352e+00 2.36 -3.290817284e+00 -3.290817284e+00 2.38 -3.537702424e+00 -3.537702424e+00 2.40 -3.760465192e+00 -3.760465192e+00 2.42 -3.960768119e+00 -3.960768119e+00 2.44 -4.140107253e+00 -4.140107253e+00 2.46 -4.299657491e+00 -4.299657491e+00 2.48 -4.440971936e+00 -4.440971936e+00 2.50 -4.565557913e+00 -4.565557913e+00 2.52 -4.674767707e+00 -4.674767707e+00 2.54 -4.769794011e+00 -4.769794011e+00 2.56 -4.851667109e+00 -4.851667109e+00 2.58 -4.921262016e+00 -4.921262016e+00 2.60 -4.979293421e+00 -4.979293421e+00 2.62 -5.026058708e+00 -5.026058708e+00 2.64 -5.061640942e+00 -5.061640942e+00 2.66 -5.086174591e+00 -5.086174591e+00 2.68 -5.099854525e+00 -5.099854525e+00 2.70 -5.102935167e+00 -5.102935167e+00 2.72 -5.095724360e+00 -5.095724360e+00 2.74 -5.078572861e+00 -5.078572861e+00 2.76 -5.051862200e+00 -5.051862200e+00 2.78 -5.016121538e+00 -5.016121538e+00 2.80 -4.972061865e+00 -4.972061865e+00 2.82 -4.920113650e+00 -4.920113650e+00 2.84 -4.860430244e+00 -4.860430244e+00 2.86 -4.793251654e+00 -4.793251654e+00 2.88 -4.718931845e+00 -4.718931845e+00 2.90 -4.637942731e+00 -4.637942731e+00 2.92 -4.550872289e+00 -4.550872289e+00 2.94 -4.458415139e+00 -4.458415139e+00 2.96 -4.361378272e+00 -4.361378272e+00 2.98 -4.260653068e+00 -4.260653068e+00 3.00 -4.157151017e+00 -4.157151017e+00 3.02 -4.051742884e+00 -4.051742884e+00 3.04 -3.945218433e+00 -3.945218433e+00 3.06 -3.838254643e+00 -3.838254643e+00 3.08 -3.731393542e+00 -3.731393542e+00 3.10 -3.625031432e+00 -3.625031432e+00 3.12 -3.519419605e+00 -3.519419605e+00 3.14 -3.414675261e+00 -3.414675261e+00 3.16 -3.310800364e+00 -3.310800364e+00 3.18 -3.207705864e+00 -3.207705864e+00 3.20 -3.105238787e+00 -3.105238787e+00 3.22 -3.003210195e+00 -3.003210195e+00 3.24 -2.901422517e+00 -2.901422517e+00 3.26 -2.799695196e+00 -2.799695196e+00 3.28 -2.697887893e+00 -2.697887893e+00 3.30 -2.595920511e+00 -2.595920511e+00 3.32 -2.493789272e+00 -2.493789272e+00 3.34 -2.391577962e+00 -2.391577962e+00 3.36 -2.289463438e+00 -2.289463438e+00 3.38 -2.187714633e+00 -2.187714633e+00 3.40 -2.086684669e+00 -2.086684669e+00 3.42 -1.986796215e+00 -1.986796215e+00 3.44 -1.888520960e+00 -1.888520960e+00 3.46 -1.792354779e+00 -1.792354779e+00 3.48 -1.698790753e+00 -1.698790753e+00 3.50 -1.608292529e+00 -1.608292529e+00 3.52 -1.521270499e+00 -1.521270499e+00 3.54 -1.438062834e+00 -1.438062834e+00 3.56 -1.358922789e+00 -1.358922789e+00 3.58 -1.284012809e+00 -1.284012809e+00 3.60 -1.213405169e+00 -1.213405169e+00 3.62 -1.147088221e+00 -1.147088221e+00 3.64 -1.084976855e+00 -1.084976855e+00 3.66 -1.026925648e+00 -1.026925648e+00 3.68 -9.727432136e-01 -9.727432136e-01 3.70 -9.222064652e-01 -9.222064652e-01 3.72 -8.750738346e-01 -8.750738346e-01 3.74 -8.310967552e-01 -8.310967552e-01 3.76 -7.900290238e-01 -7.900290238e-01 3.78 -7.516338723e-01 -7.516338723e-01 3.80 -7.156887662e-01 -7.156887662e-01 3.82 -6.819880948e-01 -6.819880948e-01 3.84 -6.503440389e-01 -6.503440389e-01 3.86 -6.205860069e-01 -6.205860069e-01 3.88 -5.925590960e-01 -5.925590960e-01 3.90 -5.661220635e-01 -5.661220635e-01 3.92 -5.411452493e-01 -5.411452493e-01 3.94 -5.175088005e-01 -5.175088005e-01 3.96 -4.951014022e-01 -4.951014022e-01 3.98 -4.738195770e-01 -4.738195770e-01 4.00 -4.535674735e-01 -4.535674735e-01 4.02 -4.342569795e-01 -4.342569795e-01 4.04 -4.158079494e-01 -4.158079494e-01 4.06 -3.981483716e-01 -3.981483716e-01 4.08 -3.812143023e-01 -3.812143023e-01 4.10 -3.649494521e-01 -3.649494521e-01 4.12 -3.493044475e-01 -3.493044475e-01 4.14 -3.342357530e-01 -3.342357530e-01 4.16 -3.197045543e-01 -3.197045543e-01 4.18 -3.056757761e-01 -3.056757761e-01 4.20 -2.921168231e-01 -2.921168231e-01 4.22 -2.789968979e-01 -2.789968979e-01 4.24 -2.662867145e-01 -2.662867145e-01 4.26 -2.539586206e-01 -2.539586206e-01 4.28 -2.419870823e-01 -2.419870823e-01 4.30 -2.303494227e-01 -2.303494227e-01 4.32 -2.190266624e-01 -2.190266624e-01 4.34 -2.080042381e-01 -2.080042381e-01 4.36 -1.972724749e-01 -1.972724749e-01 4.38 -1.868272021e-01 -1.868272021e-01 4.40 -1.766691009e-01 -1.766691009e-01 4.42 -1.668029593e-01 -1.668029593e-01 4.44 -1.572365581e-01 -1.572365581e-01 4.46 -1.479792556e-01 -1.479792556e-01 4.48 -1.390404474e-01 -1.390404474e-01 4.50 -1.304281002e-01 -1.304281002e-01 4.52 -1.221475504e-01 -1.221475504e-01 4.54 -1.142007149e-01 -1.142007149e-01 4.56 -1.065857986e-01 -1.065857986e-01 4.58 -9.929750416e-02 -9.929750416e-02 4.60 -9.232768099e-02 -9.232768099e-02 4.62 -8.566629174e-02 -8.566629174e-02 4.64 -7.930254525e-02 -7.930254525e-02 4.66 -7.322603506e-02 -7.322603506e-02 4.68 -6.742773709e-02 -6.742773709e-02 4.70 -6.190074962e-02 -6.190074962e-02 4.72 -5.664069899e-02 -5.664069899e-02 4.74 -5.164577961e-02 -5.164577961e-02 4.76 -4.691644066e-02 -4.691644066e-02 4.78 -4.245478739e-02 -4.245478739e-02 4.80 -3.826376493e-02 -3.826376493e-02 4.82 -3.434624547e-02 -3.434624547e-02 4.84 -3.070413367e-02 -3.070413367e-02 4.86 -2.733757724e-02 -2.733757724e-02 4.88 -2.424439588e-02 -2.424439588e-02 4.90 -2.141974421e-02 -2.141974421e-02 4.92 -1.885601980e-02 -1.885601980e-02 4.94 -1.654293285e-02 -1.654293285e-02 4.96 -1.446755671e-02 -1.446755671e-02 4.98 -1.261576989e-02 -1.261576989e-02 5.00 -1.097211633e-02 -1.097211633e-02 5.02 -9.520222912e-03 -9.520222912e-03 5.04 -8.243341167e-03 -8.243341167e-03 5.06 -7.124817275e-03 -7.124817275e-03 5.08 -6.148474938e-03 -6.148474938e-03 5.10 -5.298907196e-03 -5.298907196e-03 5.12 -4.561681505e-03 -4.561681505e-03 5.14 -3.923467734e-03 -3.923467734e-03 5.16 -3.372101551e-03 -3.372101551e-03 5.18 -2.896596407e-03 -2.896596407e-03 5.20 -2.487116785e-03 -2.487116785e-03 5.22 -2.134923978e-03 -2.134923978e-03 5.24 -1.832303888e-03 -1.832303888e-03 5.26 -1.572484465e-03 -1.572484465e-03 5.28 -1.349548645e-03 -1.349548645e-03 5.30 -1.158347120e-03 -1.158347120e-03 5.32 -9.944139281e-04 -9.944139281e-04 5.34 -8.538868785e-04 -8.538868785e-04 5.36 -7.334339618e-04 -7.334339618e-04 5.38 -6.301863418e-04 -6.301863418e-04 5.40 -5.416780722e-04 -5.416780722e-04 5.42 -4.657923969e-04 -4.657923969e-04 5.44 -4.007142963e-04 -4.007142963e-04 5.46 -3.448888287e-04 -3.448888287e-04 5.48 -2.969847576e-04 -2.969847576e-04 5.50 -2.558629379e-04 -2.558629379e-04 5.52 -2.205489388e-04 -2.205489388e-04 5.54 -1.902094123e-04 -1.902094123e-04 5.56 -1.641317435e-04 -1.641317435e-04 5.58 -1.417065661e-04 -1.417065661e-04 5.60 -1.224127655e-04 -1.224127655e-04 5.62 -1.058046322e-04 -1.058046322e-04 5.64 -9.150087150e-05 -9.150087150e-05 5.66 -7.917520800e-05 -7.917520800e-05 5.68 -6.854836020e-05 -6.854836020e-05 5.70 -5.938118799e-05 -5.938118799e-05 5.72 -5.146884425e-05 -5.146884425e-05 5.74 -4.463578447e-05 -4.463578447e-05 5.76 -3.873150888e-05 -3.873150888e-05 5.78 -3.362692984e-05 -3.362692984e-05 5.80 -2.921127234e-05 -2.921127234e-05 5.82 -2.538942914e-05 -2.538942914e-05 5.84 -2.207970332e-05 -2.207970332e-05 5.86 -1.921188105e-05 -1.921188105e-05 5.88 -1.672558581e-05 -1.672558581e-05 5.90 -1.456887246e-05 -1.456887246e-05 5.92 -1.269702573e-05 -1.269702573e-05 5.94 -1.107153312e-05 -1.107153312e-05 5.96 -9.659206319e-06 -9.659206319e-06 5.98 -8.431429526e-06 -8.431429526e-06 6.00 -7.363515941e-06 -7.363515941e-06