# 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 = AlPdW2 # 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 3.355582171e+02 3.355582171e+02 1.30 3.110295234e+02 3.110295234e+02 1.32 2.883251816e+02 2.883251816e+02 1.34 2.672915037e+02 2.672915037e+02 1.36 2.477908956e+02 2.477908956e+02 1.38 2.297004409e+02 2.297004409e+02 1.40 2.129107197e+02 2.129107197e+02 1.42 1.973237158e+02 1.973237158e+02 1.44 1.828502347e+02 1.828502347e+02 1.46 1.694076389e+02 1.694076389e+02 1.48 1.569184781e+02 1.569184781e+02 1.50 1.453103186e+02 1.453103186e+02 1.52 1.345163551e+02 1.345163551e+02 1.54 1.244758552e+02 1.244758552e+02 1.56 1.151338883e+02 1.151338883e+02 1.58 1.064404829e+02 1.064404829e+02 1.60 9.834960522e+01 9.834960522e+01 1.62 9.081826171e+01 9.081826171e+01 1.64 8.380585627e+01 8.380585627e+01 1.66 7.727383850e+01 7.727383850e+01 1.68 7.118568620e+01 7.118568620e+01 1.70 6.550720951e+01 6.550720951e+01 1.72 6.020701213e+01 6.020701213e+01 1.74 5.525689401e+01 5.525689401e+01 1.76 5.063207916e+01 5.063207916e+01 1.78 4.631121622e+01 4.631121622e+01 1.80 4.227612617e+01 4.227612617e+01 1.82 3.851212057e+01 3.851212057e+01 1.84 3.500550479e+01 3.500550479e+01 1.86 3.174293238e+01 3.174293238e+01 1.88 2.871145657e+01 2.871145657e+01 1.90 2.590961670e+01 2.590961670e+01 1.92 2.333012778e+01 2.333012778e+01 1.94 2.095702796e+01 2.095702796e+01 1.96 1.877456793e+01 1.877456793e+01 1.98 1.676765145e+01 1.676765145e+01 2.00 1.492190801e+01 1.492190801e+01 2.02 1.322379122e+01 1.322379122e+01 2.04 1.166066668e+01 1.166066668e+01 2.06 1.022083325e+01 1.022083325e+01 2.08 8.893468667e+00 8.893468667e+00 2.10 7.668547117e+00 7.668547117e+00 2.12 6.536789684e+00 6.536789684e+00 2.14 5.489676951e+00 5.489676951e+00 2.16 4.519509407e+00 4.519509407e+00 2.18 3.619473576e+00 3.619473576e+00 2.20 2.783670777e+00 2.783670777e+00 2.22 2.007084430e+00 2.007084430e+00 2.24 1.285487072e+00 1.285487072e+00 2.26 6.153074106e-01 6.153074106e-01 2.28 -6.515325104e-03 -6.515325104e-03 2.30 -5.826664590e-01 -5.826664590e-01 2.32 -1.115566781e+00 -1.115566781e+00 2.34 -1.607455214e+00 -1.607455214e+00 2.36 -2.060446001e+00 -2.060446001e+00 2.38 -2.476565885e+00 -2.476565885e+00 2.40 -2.857777370e+00 -2.857777370e+00 2.42 -3.205989448e+00 -3.205989448e+00 2.44 -3.522919698e+00 -3.522919698e+00 2.46 -3.810457838e+00 -3.810457838e+00 2.48 -4.070566054e+00 -4.070566054e+00 2.50 -4.305135259e+00 -4.305135259e+00 2.52 -4.515975325e+00 -4.515975325e+00 2.54 -4.704802306e+00 -4.704802306e+00 2.56 -4.873227898e+00 -4.873227898e+00 2.58 -5.022745935e+00 -5.022745935e+00 2.60 -5.154420160e+00 -5.154420160e+00 2.62 -5.268845837e+00 -5.268845837e+00 2.64 -5.366615592e+00 -5.366615592e+00 2.66 -5.448329042e+00 -5.448329042e+00 2.68 -5.514570481e+00 -5.514570481e+00 2.70 -5.565895557e+00 -5.565895557e+00 2.72 -5.602829014e+00 -5.602829014e+00 2.74 -5.625871659e+00 -5.625871659e+00 2.76 -5.635512497e+00 -5.635512497e+00 2.78 -5.632242243e+00 -5.632242243e+00 2.80 -5.616566200e+00 -5.616566200e+00 2.82 -5.589016246e+00 -5.589016246e+00 2.84 -5.550162791e+00 -5.550162791e+00 2.86 -5.500627338e+00 -5.500627338e+00 2.88 -5.441095429e+00 -5.441095429e+00 2.90 -5.372328537e+00 -5.372328537e+00 2.92 -5.295172411e+00 -5.295172411e+00 2.94 -5.210579933e+00 -5.210579933e+00 2.96 -5.119918694e+00 -5.119918694e+00 2.98 -5.024942663e+00 -5.024942663e+00 3.00 -4.926552547e+00 -4.926552547e+00 3.02 -4.825422234e+00 -4.825422234e+00 3.04 -4.722245479e+00 -4.722245479e+00 3.06 -4.617686401e+00 -4.617686401e+00 3.08 -4.512335051e+00 -4.512335051e+00 3.10 -4.406672534e+00 -4.406672534e+00 3.12 -4.301078144e+00 -4.301078144e+00 3.14 -4.195847995e+00 -4.195847995e+00 3.16 -4.091134696e+00 -4.091134696e+00 3.18 -3.986955104e+00 -3.986955104e+00 3.20 -3.883214969e+00 -3.883214969e+00 3.22 -3.779738346e+00 -3.779738346e+00 3.24 -3.676298803e+00 -3.676298803e+00 3.26 -3.572650188e+00 -3.572650188e+00 3.28 -3.468555494e+00 -3.468555494e+00 3.30 -3.363812982e+00 -3.363812982e+00 3.32 -3.258279072e+00 -3.258279072e+00 3.34 -3.151887551e+00 -3.151887551e+00 3.36 -3.044664523e+00 -3.044664523e+00 3.38 -2.936738294e+00 -2.936738294e+00 3.40 -2.828343280e+00 -2.828343280e+00 3.42 -2.719817062e+00 -2.719817062e+00 3.44 -2.611590082e+00 -2.611590082e+00 3.46 -2.504168095e+00 -2.504168095e+00 3.48 -2.398108300e+00 -2.398108300e+00 3.50 -2.293990954e+00 -2.293990954e+00 3.52 -2.192388945e+00 -2.192388945e+00 3.54 -2.093838198e+00 -2.093838198e+00 3.56 -1.998811663e+00 -1.998811663e+00 3.58 -1.907699153e+00 -1.907699153e+00 3.60 -1.820794396e+00 -1.820794396e+00 3.62 -1.738289726e+00 -1.738289726e+00 3.64 -1.660277872e+00 -1.660277872e+00 3.66 -1.586759603e+00 -1.586759603e+00 3.68 -1.517655585e+00 -1.517655585e+00 3.70 -1.452820690e+00 -1.452820690e+00 3.72 -1.392059161e+00 -1.392059161e+00 3.74 -1.335139316e+00 -1.335139316e+00 3.76 -1.281806891e+00 -1.281806891e+00 3.78 -1.231796462e+00 -1.231796462e+00 3.80 -1.184840716e+00 -1.184840716e+00 3.82 -1.140677606e+00 -1.140677606e+00 3.84 -1.099055555e+00 -1.099055555e+00 3.86 -1.059737000e+00 -1.059737000e+00 3.88 -1.022500584e+00 -1.022500584e+00 3.90 -9.871423098e-01 -9.871423098e-01 3.92 -9.534759445e-01 -9.534759445e-01 3.94 -9.213329200e-01 -9.213329200e-01 3.96 -8.905618828e-01 -8.905618828e-01 3.98 -8.610280903e-01 -8.610280903e-01 4.00 -8.326126906e-01 -8.326126906e-01 4.02 -8.052119473e-01 -8.052119473e-01 4.04 -7.787364116e-01 -7.787364116e-01 4.06 -7.531100221e-01 -7.531100221e-01 4.08 -7.282691028e-01 -7.282691028e-01 4.10 -7.041612292e-01 -7.041612292e-01 4.12 -6.807440425e-01 -6.807440425e-01 4.14 -6.579838478e-01 -6.579838478e-01 4.16 -6.358543379e-01 -6.358543379e-01 4.18 -6.143353123e-01 -6.143353123e-01 4.20 -5.934115480e-01 -5.934115480e-01 4.22 -5.730718564e-01 -5.730718564e-01 4.24 -5.533083024e-01 -5.533083024e-01 4.26 -5.341155228e-01 -5.341155228e-01 4.28 -5.154900475e-01 -5.154900475e-01 4.30 -4.974295421e-01 -4.974295421e-01 4.32 -4.799318976e-01 -4.799318976e-01 4.34 -4.629941293e-01 -4.629941293e-01 4.36 -4.466109534e-01 -4.466109534e-01 4.38 -4.307743875e-01 -4.307743875e-01 4.40 -4.154723292e-01 -4.154723292e-01 4.42 -4.006877528e-01 -4.006877528e-01 4.44 -3.863984897e-01 -3.863984897e-01 4.46 -3.725774124e-01 -3.725774124e-01 4.48 -3.591930029e-01 -3.591930029e-01 4.50 -3.462102249e-01 -3.462102249e-01 4.52 -3.335916271e-01 -3.335916271e-01 4.54 -3.212985611e-01 -3.212985611e-01 4.56 -3.092924264e-01 -3.092924264e-01 4.58 -2.975358480e-01 -2.975358480e-01 4.60 -2.859937673e-01 -2.859937673e-01 4.62 -2.746343467e-01 -2.746343467e-01 4.64 -2.634297859e-01 -2.634297859e-01 4.66 -2.523571433e-01 -2.523571433e-01 4.68 -2.413985336e-01 -2.413985336e-01 4.70 -2.305413666e-01 -2.305413666e-01 4.72 -2.197783953e-01 -2.197783953e-01 4.74 -2.091075760e-01 -2.091075760e-01 4.76 -1.985317710e-01 -1.985317710e-01 4.78 -1.880583389e-01 -1.880583389e-01 4.80 -1.776986608e-01 -1.776986608e-01 4.82 -1.674676910e-01 -1.674676910e-01 4.84 -1.573834882e-01 -1.573834882e-01 4.86 -1.474668710e-01 -1.474668710e-01 4.88 -1.377410975e-01 -1.377410975e-01 4.90 -1.282315704e-01 -1.282315704e-01 4.92 -1.189655026e-01 -1.189655026e-01 4.94 -1.099714762e-01 -1.099714762e-01 4.96 -1.012788396e-01 -1.012788396e-01 4.98 -9.291691349e-02 -9.291691349e-02 5.00 -8.491401780e-02 -8.491401780e-02 5.02 -7.729637385e-02 -7.729637385e-02 5.04 -7.008697021e-02 -7.008697021e-02 5.06 -6.330450146e-02 -6.330450146e-02 5.08 -5.696248835e-02 -5.696248835e-02 5.10 -5.106866840e-02 -5.106866840e-02 5.12 -4.562471216e-02 -4.562471216e-02 5.14 -4.062627965e-02 -4.062627965e-02 5.16 -3.606339211e-02 -3.606339211e-02 5.18 -3.192106370e-02 -3.192106370e-02 5.20 -2.818011544e-02 -2.818011544e-02 5.22 -2.481809372e-02 -2.481809372e-02 5.24 -2.181021461e-02 -2.181021461e-02 5.26 -1.913026853e-02 -1.913026853e-02 5.28 -1.675130324e-02 -1.675130324e-02 5.30 -1.464632330e-02 -1.464632330e-02 5.32 -1.278954371e-02 -1.278954371e-02 5.34 -1.115618629e-02 -1.115618629e-02 5.36 -9.722797849e-03 -9.722797849e-03 5.38 -8.467492784e-03 -8.467492784e-03 5.40 -7.370090085e-03 -7.370090085e-03 5.42 -6.412166574e-03 -6.412166574e-03 5.44 -5.577046314e-03 -5.577046314e-03 5.46 -4.849743656e-03 -4.849743656e-03 5.48 -4.216874533e-03 -4.216874533e-03 5.50 -3.666547786e-03 -3.666547786e-03 5.52 -3.188245664e-03 -3.188245664e-03 5.54 -2.772700436e-03 -2.772700436e-03 5.56 -2.411772069e-03 -2.411772069e-03 5.58 -2.098330455e-03 -2.098330455e-03 5.60 -1.826144423e-03 -1.826144423e-03 5.62 -1.589778868e-03 -1.589778868e-03 5.64 -1.384500631e-03 -1.384500631e-03 5.66 -1.206193277e-03 -1.206193277e-03 5.68 -1.051280596e-03 -1.051280596e-03 5.70 -9.166583869e-04 -9.166583869e-04 5.72 -7.996339929e-04 -7.996339929e-04 5.74 -6.978729548e-04 -6.978729548e-04 5.76 -6.093521272e-04 -6.093521272e-04 5.78 -5.323186147e-04 -5.323186147e-04 5.80 -4.652539018e-04 -4.652539018e-04 5.82 -4.068425905e-04 -4.068425905e-04 5.84 -3.559452066e-04 -3.559452066e-04 5.86 -3.115745797e-04 -3.115745797e-04 5.88 -2.728753554e-04 -2.728753554e-04 5.90 -2.391062406e-04 -2.391062406e-04 5.92 -2.096246318e-04 -2.096246318e-04 5.94 -1.838733133e-04 -1.838733133e-04 5.96 -1.613689531e-04 -1.613689531e-04 5.98 -1.416921568e-04 -1.416921568e-04 6.00 -1.244788708e-04 -1.244788708e-04