# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = F2KLi # 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 2022-05-24 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 6.634605615e+03 6.634605615e+03 1.22 5.523567335e+03 5.523567335e+03 1.24 4.612462607e+03 4.612462607e+03 1.26 3.863004945e+03 3.863004945e+03 1.28 3.244360208e+03 3.244360208e+03 1.30 2.732399772e+03 2.732399772e+03 1.32 2.307118947e+03 2.307118947e+03 1.34 1.952725173e+03 1.952725173e+03 1.36 1.656829348e+03 1.656829348e+03 1.38 1.408779350e+03 1.408779350e+03 1.40 1.200394754e+03 1.200394754e+03 1.42 1.025033611e+03 1.025033611e+03 1.44 8.770533231e+02 8.770533231e+02 1.46 7.516304223e+02 7.516304223e+02 1.48 6.453114959e+02 6.453114959e+02 1.50 5.549886228e+02 5.549886228e+02 1.52 4.780882549e+02 4.780882549e+02 1.54 4.124220228e+02 4.124220228e+02 1.56 3.562728743e+02 3.562728743e+02 1.58 3.081768747e+02 3.081768747e+02 1.60 2.668640286e+02 2.668640286e+02 1.62 2.313105213e+02 2.313105213e+02 1.64 2.006010887e+02 2.006010887e+02 1.66 1.741155702e+02 1.741155702e+02 1.68 1.512551142e+02 1.512551142e+02 1.70 1.314922307e+02 1.314922307e+02 1.72 1.143803150e+02 1.143803150e+02 1.74 9.954138481e+01 9.954138481e+01 1.76 8.662092713e+01 8.662092713e+01 1.78 7.537480418e+01 7.537480418e+01 1.80 6.558674679e+01 6.558674679e+01 1.82 5.705236876e+01 5.705236876e+01 1.84 4.960185262e+01 4.960185262e+01 1.86 4.309686905e+01 4.309686905e+01 1.88 3.741244748e+01 3.741244748e+01 1.90 3.243872762e+01 3.243872762e+01 1.92 2.806948702e+01 2.806948702e+01 1.94 2.423866389e+01 2.423866389e+01 1.96 2.087728411e+01 2.087728411e+01 1.98 1.792454719e+01 1.792454719e+01 2.00 1.532783875e+01 1.532783875e+01 2.02 1.304151632e+01 1.304151632e+01 2.04 1.102493638e+01 1.102493638e+01 2.06 9.246692425e+00 9.246692425e+00 2.08 7.677238363e+00 7.677238363e+00 2.10 6.291017433e+00 6.291017433e+00 2.12 5.057738558e+00 5.057738558e+00 2.14 3.962759387e+00 3.962759387e+00 2.16 2.995210315e+00 2.995210315e+00 2.18 2.137838802e+00 2.137838802e+00 2.20 1.381063431e+00 1.381063431e+00 2.22 7.136677457e-01 7.136677457e-01 2.24 1.254673992e-01 1.254673992e-01 2.26 -3.924100129e-01 -3.924100129e-01 2.28 -8.477126497e-01 -8.477126497e-01 2.30 -1.247225601e+00 -1.247225601e+00 2.32 -1.596908823e+00 -1.596908823e+00 2.34 -1.902533979e+00 -1.902533979e+00 2.36 -2.168457074e+00 -2.168457074e+00 2.38 -2.398464947e+00 -2.398464947e+00 2.40 -2.596125325e+00 -2.596125325e+00 2.42 -2.769334836e+00 -2.769334836e+00 2.44 -2.916133567e+00 -2.916133567e+00 2.46 -3.038518228e+00 -3.038518228e+00 2.48 -3.139095201e+00 -3.139095201e+00 2.50 -3.220255464e+00 -3.220255464e+00 2.52 -3.284105818e+00 -3.284105818e+00 2.54 -3.332467762e+00 -3.332467762e+00 2.56 -3.367290158e+00 -3.367290158e+00 2.58 -3.389618552e+00 -3.389618552e+00 2.60 -3.400840684e+00 -3.400840684e+00 2.62 -3.402358727e+00 -3.402358727e+00 2.64 -3.395151154e+00 -3.395151154e+00 2.66 -3.380115823e+00 -3.380115823e+00 2.68 -3.358149153e+00 -3.358149153e+00 2.70 -3.330050443e+00 -3.330050443e+00 2.72 -3.296532848e+00 -3.296532848e+00 2.74 -3.258226513e+00 -3.258226513e+00 2.76 -3.215709404e+00 -3.215709404e+00 2.78 -3.169493117e+00 -3.169493117e+00 2.80 -3.120027658e+00 -3.120027658e+00 2.82 -3.067738979e+00 -3.067738979e+00 2.84 -3.013150118e+00 -3.013150118e+00 2.86 -2.956916749e+00 -2.956916749e+00 2.88 -2.899639796e+00 -2.899639796e+00 2.90 -2.840668429e+00 -2.840668429e+00 2.92 -2.780226658e+00 -2.780226658e+00 2.94 -2.718602359e+00 -2.718602359e+00 2.96 -2.656054033e+00 -2.656054033e+00 2.98 -2.592820359e+00 -2.592820359e+00 3.00 -2.529121900e+00 -2.529121900e+00 3.02 -2.465326773e+00 -2.465326773e+00 3.04 -2.401459069e+00 -2.401459069e+00 3.06 -2.337661944e+00 -2.337661944e+00 3.08 -2.274109337e+00 -2.274109337e+00 3.10 -2.210925030e+00 -2.210925030e+00 3.12 -2.148249116e+00 -2.148249116e+00 3.14 -2.086207250e+00 -2.086207250e+00 3.16 -2.024911321e+00 -2.024911321e+00 3.18 -1.964530482e+00 -1.964530482e+00 3.20 -1.905070016e+00 -1.905070016e+00 3.22 -1.846602955e+00 -1.846602955e+00 3.24 -1.789195490e+00 -1.789195490e+00 3.26 -1.732903356e+00 -1.732903356e+00 3.28 -1.677805546e+00 -1.677805546e+00 3.30 -1.623985507e+00 -1.623985507e+00 3.32 -1.571366623e+00 -1.571366623e+00 3.34 -1.519976224e+00 -1.519976224e+00 3.36 -1.469834404e+00 -1.469834404e+00 3.38 -1.420954867e+00 -1.420954867e+00 3.40 -1.373345708e+00 -1.373345708e+00 3.42 -1.327009730e+00 -1.327009730e+00 3.44 -1.281946131e+00 -1.281946131e+00 3.46 -1.238150461e+00 -1.238150461e+00 3.48 -1.195614784e+00 -1.195614784e+00 3.50 -1.154328380e+00 -1.154328380e+00 3.52 -1.114277914e+00 -1.114277914e+00 3.54 -1.075447919e+00 -1.075447919e+00 3.56 -1.037821508e+00 -1.037821508e+00 3.58 -1.001379600e+00 -1.001379600e+00 3.60 -9.661014598e-01 -9.661014598e-01 3.62 -9.319648010e-01 -9.319648010e-01 3.64 -8.989458671e-01 -8.989458671e-01 3.66 -8.670195052e-01 -8.670195052e-01 3.68 -8.361625870e-01 -8.361625870e-01 3.70 -8.065984825e-01 -8.065984825e-01 3.72 -7.780705184e-01 -7.780705184e-01 3.74 -7.504811123e-01 -7.504811123e-01 3.76 -7.237859045e-01 -7.237859045e-01 3.78 -6.980940886e-01 -6.980940886e-01 3.80 -6.732332451e-01 -6.732332451e-01 3.82 -6.491754107e-01 -6.491754107e-01 3.84 -6.258952816e-01 -6.258952816e-01 3.86 -6.033662860e-01 -6.033662860e-01 3.88 -5.815609335e-01 -5.815609335e-01 3.90 -5.604511542e-01 -5.604511542e-01 3.92 -5.400086249e-01 -5.400086249e-01 3.94 -5.202050775e-01 -5.202050775e-01 3.96 -5.010125863e-01 -5.010125863e-01 3.98 -4.824038318e-01 -4.824038318e-01 4.00 -4.643523377e-01 -4.643523377e-01 4.02 -4.468326799e-01 -4.468326799e-01 4.04 -4.298206659e-01 -4.298206659e-01 4.06 -4.132934838e-01 -4.132934838e-01 4.08 -3.972298199e-01 -3.972298199e-01 4.10 -3.816099468e-01 -3.816099468e-01 4.12 -3.664157813e-01 -3.664157813e-01 4.14 -3.516309132e-01 -3.516309132e-01 4.16 -3.372406074e-01 -3.372406074e-01 4.18 -3.232317808e-01 -3.232317808e-01 4.20 -3.095929561e-01 -3.095929561e-01 4.22 -2.963141941e-01 -2.963141941e-01 4.24 -2.833870091e-01 -2.833870091e-01 4.26 -2.708042675e-01 -2.708042675e-01 4.28 -2.585600747e-01 -2.585600747e-01 4.30 -2.466496511e-01 -2.466496511e-01 4.32 -2.350757502e-01 -2.350757502e-01 4.34 -2.238775529e-01 -2.238775529e-01 4.36 -2.129931336e-01 -2.129931336e-01 4.38 -2.024225792e-01 -2.024225792e-01 4.40 -1.921661645e-01 -1.921661645e-01 4.42 -1.822242633e-01 -1.822242633e-01 4.44 -1.725972460e-01 -1.725972460e-01 4.46 -1.632853848e-01 -1.632853848e-01 4.48 -1.542887645e-01 -1.542887645e-01 4.50 -1.456078268e-01 -1.456078268e-01 4.52 -1.372910198e-01 -1.372910198e-01 4.54 -1.292820086e-01 -1.292820086e-01 4.56 -1.215794513e-01 -1.215794513e-01 4.58 -1.141820794e-01 -1.141820794e-01 4.60 -1.070880466e-01 -1.070880466e-01 4.62 -1.003657244e-01 -1.003657244e-01 4.64 -9.408408742e-02 -9.408408742e-02 4.66 -8.806527807e-02 -8.806527807e-02 4.68 -8.230874716e-02 -8.230874716e-02 4.70 -7.681299893e-02 -7.681299893e-02 4.72 -7.157564478e-02 -7.157564478e-02 4.74 -6.659346168e-02 -6.659346168e-02 4.76 -6.186245426e-02 -6.186245426e-02 4.78 -5.737791969e-02 -5.737791969e-02 4.80 -5.313451459e-02 -5.313451459e-02 4.82 -4.912631631e-02 -4.912631631e-02 4.84 -4.534667876e-02 -4.534667876e-02 4.86 -4.178901374e-02 -4.178901374e-02 4.88 -3.844608968e-02 -3.844608968e-02 4.90 -3.531036995e-02 -3.531036995e-02 4.92 -3.237407536e-02 -3.237407536e-02 4.94 -2.962924384e-02 -2.962924384e-02 4.96 -2.706778705e-02 -2.706778705e-02 4.98 -2.468154348e-02 -2.468154348e-02 5.00 -2.246232790e-02 -2.246232790e-02 5.02 -2.040197694e-02 -2.040197694e-02 5.04 -1.849239073e-02 -1.849239073e-02 5.06 -1.672557055e-02 -1.672557055e-02 5.08 -1.509365252e-02 -1.509365252e-02 5.10 -1.358893735e-02 -1.358893735e-02 5.12 -1.220391624e-02 -1.220391624e-02 5.14 -1.093129319e-02 -1.093129319e-02 5.16 -9.764003703e-03 -9.764003703e-03 5.18 -8.695230166e-03 -8.695230166e-03 5.20 -7.718414145e-03 -7.718414145e-03 5.22 -6.904137704e-03 -6.904137704e-03 5.24 -6.175448759e-03 -6.175448759e-03 5.26 -5.507915174e-03 -5.507915174e-03 5.28 -4.897655753e-03 -4.897655753e-03 5.30 -4.340910573e-03 -4.340910573e-03 5.32 -3.834050421e-03 -3.834050421e-03 5.34 -3.373584590e-03 -3.373584590e-03 5.36 -2.956167077e-03 -2.956167077e-03 5.38 -2.578601279e-03 -2.578601279e-03 5.40 -2.237843249e-03 -2.237843249e-03 5.42 -1.931003627e-03 -1.931003627e-03 5.44 -1.655371670e-03 -1.655371670e-03 5.46 -1.408356743e-03 -1.408356743e-03 5.48 -1.187508251e-03 -1.187508251e-03 5.50 -9.905537674e-04 -9.905537674e-04 5.52 -8.153681920e-04 -8.153681920e-04 5.54 -6.599698848e-04 -6.599698848e-04 5.56 -5.225161971e-04 -5.225161971e-04 5.58 -4.012984936e-04 -4.012984936e-04 5.60 -2.947367626e-04 -2.947367626e-04 5.62 -2.013739050e-04 -2.013739050e-04 5.64 -1.198697861e-04 -1.198697861e-04 5.66 -4.899512806e-05 -4.899512806e-05 5.68 -9.163481397e-06 -9.163481397e-06 5.70 -7.872202320e-06 -7.872202320e-06 5.72 -6.735543041e-06 -6.735543041e-06 5.74 -5.737398628e-06 -5.737398628e-06 5.76 -4.863111272e-06 -4.863111272e-06 5.78 -4.099362952e-06 -4.099362952e-06 5.80 -3.434073816e-06 -3.434073816e-06 5.82 -2.856306209e-06 -2.856306209e-06 5.84 -2.356174223e-06 -2.356174223e-06 5.86 -1.924758656e-06 -1.924758656e-06 5.88 -1.554027233e-06 -1.554027233e-06 5.90 -1.236759917e-06 -1.236759917e-06 5.92 -9.664791573e-07 -9.664791573e-07 5.94 -7.373848638e-07 -7.373848638e-07 5.96 -5.442939349e-07 -5.442939349e-07 5.98 -3.825841287e-07 -3.825841287e-07 6.00 -2.481420776e-07 -2.481420776e-07