# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlCr2Mn # 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 2025-07-01 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 2.435516884e+02 2.435516884e+02 1.10 2.248832865e+02 2.248832865e+02 1.12 2.074173890e+02 2.074173890e+02 1.14 1.912609523e+02 1.912609523e+02 1.16 1.765805066e+02 1.765805066e+02 1.18 1.629765233e+02 1.629765233e+02 1.20 1.508220398e+02 1.508220398e+02 1.22 1.392245859e+02 1.392245859e+02 1.24 1.284170781e+02 1.284170781e+02 1.26 1.186201412e+02 1.186200636e+02 1.28 1.095212598e+02 1.095212598e+02 1.30 1.011270671e+02 1.011270671e+02 1.32 9.321488306e+01 9.321488306e+01 1.34 8.617043011e+01 8.617043011e+01 1.36 7.937177096e+01 7.937177096e+01 1.38 7.310609829e+01 7.310609829e+01 1.40 6.728128186e+01 6.728128186e+01 1.42 6.188810550e+01 6.188810550e+01 1.44 5.716039537e+01 5.716039537e+01 1.46 5.271667029e+01 5.271667029e+01 1.48 4.837984990e+01 4.837984990e+01 1.50 4.436180309e+01 4.436180309e+01 1.52 4.073221630e+01 4.073221630e+01 1.54 3.745864756e+01 3.745864756e+01 1.56 3.423209464e+01 3.423209464e+01 1.58 3.127700652e+01 3.127700652e+01 1.60 2.850247256e+01 2.850247256e+01 1.62 2.593116866e+01 2.593116866e+01 1.64 2.354826431e+01 2.354826431e+01 1.66 2.143038152e+01 2.143038152e+01 1.68 1.946786815e+01 1.946786815e+01 1.70 1.755573789e+01 1.755573789e+01 1.72 1.578490042e+01 1.578490042e+01 1.74 1.424598492e+01 1.424598492e+01 1.76 1.271930419e+01 1.271930419e+01 1.78 1.130664391e+01 1.130664391e+01 1.80 9.999935934e+00 9.999935934e+00 1.82 8.912653757e+00 8.912653757e+00 1.84 7.785451445e+00 7.785451445e+00 1.86 6.930431385e+00 6.930431385e+00 1.88 5.953281699e+00 5.953281699e+00 1.90 5.051889608e+00 5.051889608e+00 1.92 4.220932779e+00 4.220932779e+00 1.94 3.506963921e+00 3.506963921e+00 1.96 2.798304360e+00 2.798304360e+00 1.98 2.146603081e+00 2.146603081e+00 2.00 1.547865770e+00 1.547865770e+00 2.02 9.983776364e-01 9.983776364e-01 2.04 4.946827485e-01 4.946827485e-01 2.06 3.356503309e-02 3.356503309e-02 2.08 -3.879692159e-01 -3.879692159e-01 2.10 -6.890967651e-01 -6.890949026e-01 2.12 -1.000267546e+00 -1.000267546e+00 2.14 -1.328347885e+00 -1.328347885e+00 2.16 -1.626195335e+00 -1.626195335e+00 2.18 -1.895962542e+00 -1.895962542e+00 2.20 -2.139655638e+00 -2.139655638e+00 2.22 -2.359144489e+00 -2.359144489e+00 2.24 -2.453137013e+00 -2.453137013e+00 2.26 -2.636463878e+00 -2.636463878e+00 2.28 -2.799974755e+00 -2.799974755e+00 2.30 -2.945116796e+00 -2.945116796e+00 2.32 -3.073239495e+00 -3.073239495e+00 2.34 -3.185601325e+00 -3.185601325e+00 2.36 -3.283375911e+00 -3.283375911e+00 2.38 -3.367657755e+00 -3.367657755e+00 2.40 -3.439467566e+00 -3.439467566e+00 2.42 -3.499757205e+00 -3.499757205e+00 2.44 -3.452068041e+00 -3.452068041e+00 2.46 -3.498304680e+00 -3.498304680e+00 2.48 -3.535090511e+00 -3.535090511e+00 2.50 -3.563172090e+00 -3.563172090e+00 2.52 -3.488787403e+00 -3.488787403e+00 2.54 -3.507546029e+00 -3.507546029e+00 2.56 -3.519164606e+00 -3.519164606e+00 2.58 -3.524231048e+00 -3.524231048e+00 2.60 -3.523293256e+00 -3.523293256e+00 2.62 -3.516861737e+00 -3.516861737e+00 2.64 -3.505412037e+00 -3.505412037e+00 2.66 -3.489387022e+00 -3.489387022e+00 2.68 -3.469199003e+00 -3.469199003e+00 2.70 -3.445231731e+00 -3.445231731e+00 2.72 -3.417842245e+00 -3.417842245e+00 2.74 -3.361343762e+00 -3.361343762e+00 2.76 -3.329563572e+00 -3.329563572e+00 2.78 -3.295204433e+00 -3.295204433e+00 2.80 -3.258537645e+00 -3.258537645e+00 2.82 -3.219815165e+00 -3.219815165e+00 2.84 -3.179270862e+00 -3.179270862e+00 2.86 -3.137121698e+00 -3.137121698e+00 2.88 -3.093568828e+00 -3.093568828e+00 2.90 -3.048798630e+00 -3.048798630e+00 2.92 -3.002983670e+00 -3.002983670e+00 2.94 -2.956283608e+00 -2.956283608e+00 2.96 -2.908846044e+00 -2.908846044e+00 2.98 -2.860807305e+00 -2.860807305e+00 3.00 -2.812293195e+00 -2.812293195e+00 3.02 -2.763419682e+00 -2.763419682e+00 3.04 -2.714293553e+00 -2.714293553e+00 3.06 -2.665013022e+00 -2.665013022e+00 3.08 -2.615668302e+00 -2.615668302e+00 3.10 -2.566342136e+00 -2.566342136e+00 3.12 -2.517110300e+00 -2.517110300e+00 3.14 -2.468042074e+00 -2.468042074e+00 3.16 -2.387591070e+00 -2.387591070e+00 3.18 -2.340652176e+00 -2.340652176e+00 3.20 -2.293967370e+00 -2.293967370e+00 3.22 -2.247588243e+00 -2.247588243e+00 3.24 -2.201561612e+00 -2.201561612e+00 3.26 -2.155929847e+00 -2.155929847e+00 3.28 -2.110731180e+00 -2.110731180e+00 3.30 -1.968664637e+00 -1.968664637e+00 3.32 -1.929207610e+00 -1.929207610e+00 3.34 -1.890042885e+00 -1.890042885e+00 3.36 -1.851206121e+00 -1.851206121e+00 3.38 -1.812729559e+00 -1.812729559e+00 3.40 -1.774642259e+00 -1.774642259e+00 3.42 -1.736970311e+00 -1.736970311e+00 3.44 -1.699737039e+00 -1.699737039e+00 3.46 -1.662963198e+00 -1.662963198e+00 3.48 -1.626667144e+00 -1.626667144e+00 3.50 -1.590865009e+00 -1.590865009e+00 3.52 -1.555570856e+00 -1.555570856e+00 3.54 -1.520796828e+00 -1.520796828e+00 3.56 -1.486553284e+00 -1.486553284e+00 3.58 -1.452848934e+00 -1.452848934e+00 3.60 -1.419690955e+00 -1.419690955e+00 3.62 -1.387085108e+00 -1.387085108e+00 3.64 -1.355035847e+00 -1.355035847e+00 3.66 -1.323546416e+00 -1.323546416e+00 3.68 -1.292618944e+00 -1.292618944e+00 3.70 -1.262254532e+00 -1.262254532e+00 3.72 -1.232453338e+00 -1.232453338e+00 3.74 -1.203214651e+00 -1.203214651e+00 3.76 -1.174536964e+00 -1.174536964e+00 3.78 -1.146418040e+00 -1.146418040e+00 3.80 -1.118854978e+00 -1.118854978e+00 3.82 -1.091844269e+00 -1.091844269e+00 3.84 -1.065381852e+00 -1.065381852e+00 3.86 -9.857888859e-01 -9.857888859e-01 3.88 -9.625876100e-01 -9.625876100e-01 3.90 -9.398310376e-01 -9.398310376e-01 3.92 -9.175169631e-01 -9.175169631e-01 3.94 -8.956427097e-01 -8.956427097e-01 3.96 -8.742051711e-01 -8.742051711e-01 3.98 -8.532008504e-01 -8.532008504e-01 4.00 -8.326258959e-01 -8.326258959e-01 4.02 -8.124761356e-01 -8.124761356e-01 4.04 -7.927471084e-01 -7.927471084e-01 4.06 -7.734340939e-01 -7.734340939e-01 4.08 -7.545321401e-01 -7.545321401e-01 4.10 -7.360360888e-01 -7.360360888e-01 4.12 -7.179405997e-01 -7.179405997e-01 4.14 -7.002401729e-01 -7.002401729e-01 4.16 -6.829291693e-01 -6.829291693e-01 4.18 -6.660018303e-01 -6.660018303e-01 4.20 -6.494522958e-01 -6.494522958e-01 4.22 -6.332746202e-01 -6.332746202e-01 4.24 -6.174627888e-01 -6.174627888e-01 4.26 -6.020107315e-01 -6.020107315e-01 4.28 -5.869123363e-01 -5.869123363e-01 4.30 -5.721614614e-01 -5.721614614e-01 4.32 -5.577519468e-01 -5.577519468e-01 4.34 -5.436776247e-01 -5.436776247e-01 4.36 -5.299323290e-01 -5.299323290e-01 4.38 -5.165099043e-01 -5.165099043e-01 4.40 -5.034042138e-01 -5.034042138e-01 4.42 -4.906091472e-01 -4.906091472e-01 4.44 -4.781186273e-01 -4.781186273e-01 4.46 -4.659266162e-01 -4.659266162e-01 4.48 -4.540271209e-01 -4.540271209e-01 4.50 -4.424141988e-01 -4.424141988e-01 4.52 -4.310819621e-01 -4.310819621e-01 4.54 -4.200245821e-01 -4.200245821e-01 4.56 -4.092362932e-01 -4.092362932e-01 4.58 -3.987113959e-01 -3.987113959e-01 4.60 -3.884442602e-01 -3.884442602e-01 4.62 -3.784293282e-01 -3.784293282e-01 4.64 -3.686611164e-01 -3.686611164e-01 4.66 -3.591342179e-01 -3.591342179e-01 4.68 -3.498433042e-01 -3.498433042e-01 4.70 -3.407831265e-01 -3.407831265e-01 4.72 -3.319485173e-01 -3.319485173e-01 4.74 -3.233343914e-01 -3.233343914e-01 4.76 -3.149357468e-01 -3.149357468e-01 4.78 -3.067476652e-01 -3.067476652e-01 4.80 -2.987653128e-01 -2.987653128e-01 4.82 -2.909839403e-01 -2.909839403e-01 4.84 -2.833988834e-01 -2.833988834e-01 4.86 -2.760055628e-01 -2.760055628e-01 4.88 -2.687994839e-01 -2.687994839e-01 4.90 -2.617762369e-01 -2.617762369e-01 4.92 -2.549314964e-01 -2.549314964e-01 4.94 -2.482610207e-01 -2.482610207e-01 4.96 -2.417606520e-01 -2.417606520e-01 4.98 -2.354263149e-01 -2.354263149e-01 5.00 -2.292540167e-01 -2.292540167e-01 5.02 -2.232398460e-01 -2.232398460e-01 5.04 -2.173799722e-01 -2.173799722e-01 5.06 -2.116706447e-01 -2.116706447e-01 5.08 -2.061081917e-01 -2.061081917e-01 5.10 -2.006890197e-01 -2.006890197e-01 5.12 -1.954096124e-01 -1.954096124e-01 5.14 -1.902665294e-01 -1.902665294e-01 5.16 -1.852564056e-01 -1.852564056e-01 5.18 -1.803759497e-01 -1.803759497e-01 5.20 -1.756219435e-01 -1.756219435e-01 5.22 -1.709912406e-01 -1.709912406e-01 5.24 -1.664807653e-01 -1.664807653e-01 5.26 -1.620875114e-01 -1.620875114e-01 5.28 -1.578085412e-01 -1.578085412e-01 5.30 -1.536409843e-01 -1.536409843e-01 5.32 -1.495820361e-01 -1.495820361e-01 5.34 -1.456289573e-01 -1.456289573e-01 5.36 -1.417790722e-01 -1.417790722e-01 5.38 -1.380297676e-01 -1.380297676e-01 5.40 -1.343784919e-01 -1.343784919e-01 5.42 -1.308227536e-01 -1.308227536e-01 5.44 -1.273601203e-01 -1.273601203e-01 5.46 -9.979863497e-02 -9.979863497e-02 5.48 -9.723792543e-02 -9.723792543e-02 5.50 -9.474183282e-02 -9.474183282e-02 5.52 -9.230878592e-02 -9.230878592e-02 5.54 -8.993724848e-02 -8.993724848e-02 5.56 -8.762571866e-02 -8.762571866e-02 5.58 -8.537272836e-02 -8.537272836e-02 5.60 -8.317684270e-02 -8.317684270e-02 5.62 -8.103665937e-02 -8.103665937e-02 5.64 -7.895080803e-02 -7.895080803e-02 5.66 -7.691794977e-02 -7.691794977e-02 5.68 -7.493677646e-02 -7.493677646e-02 5.70 -7.300601019e-02 -7.300601019e-02 5.72 -7.112440268e-02 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