# 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 = FLi2Rb # 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 2.617794168e+04 2.617794168e+04 1.22 nan nan 1.24 1.661369921e+04 1.661369921e+04 1.26 1.330667511e+04 1.330667511e+04 1.28 1.069516196e+04 1.069516196e+04 1.30 8.625565756e+03 8.625565756e+03 1.32 6.979688140e+03 6.979688140e+03 1.34 5.666140873e+03 5.666140873e+03 1.36 4.614718562e+03 4.614718562e+03 1.38 3.770432567e+03 3.770432567e+03 1.40 3.090362123e+03 3.090362123e+03 1.42 2.540897414e+03 2.540897414e+03 1.44 2.095601239e+03 2.095601239e+03 1.46 1.733517541e+03 1.733517541e+03 1.48 1.438455624e+03 1.438455624e+03 1.50 1.197330182e+03 1.197330182e+03 1.52 9.997119064e+02 9.997119064e+02 1.54 8.373139111e+02 8.373139111e+02 1.56 7.035370240e+02 7.035370240e+02 1.58 5.930441636e+02 5.930441636e+02 1.60 5.015008703e+02 5.015008703e+02 1.62 4.253883887e+02 4.253883887e+02 1.64 3.620373881e+02 3.620373881e+02 1.66 3.091789921e+02 3.091789921e+02 1.68 2.649569325e+02 2.649569325e+02 1.70 2.278606760e+02 2.278606760e+02 1.72 1.966569678e+02 1.966569678e+02 1.74 1.703371467e+02 1.703371467e+02 1.76 1.480733095e+02 1.480733095e+02 1.78 1.291863084e+02 1.291863084e+02 1.80 1.131137997e+02 1.131137997e+02 1.82 9.938925930e+01 9.938925930e+01 1.84 8.762501633e+01 8.762501633e+01 1.86 7.752223391e+01 7.752223391e+01 1.88 6.882557603e+01 6.882557603e+01 1.90 6.131478954e+01 6.131478954e+01 1.92 5.480672696e+01 5.480672696e+01 1.94 4.914885275e+01 4.914885275e+01 1.96 4.421320517e+01 4.421320517e+01 1.98 3.989199968e+01 3.989199968e+01 2.00 3.608991834e+01 3.608991834e+01 2.02 3.273703521e+01 3.273703521e+01 2.04 2.977344369e+01 2.977344369e+01 2.06 2.714493611e+01 2.714493611e+01 2.08 2.480556207e+01 2.480556207e+01 2.10 2.271638207e+01 2.271638207e+01 2.12 2.084430365e+01 2.084430365e+01 2.14 1.916075512e+01 1.916075512e+01 2.16 1.764110907e+01 1.764110907e+01 2.18 1.626338065e+01 1.626338065e+01 2.20 1.501183545e+01 1.501183545e+01 2.22 1.386786685e+01 1.386786685e+01 2.24 1.282422935e+01 1.282422935e+01 2.26 1.186941225e+01 1.186941225e+01 2.28 1.099390882e+01 1.099390882e+01 2.30 1.018907997e+01 1.018907997e+01 2.32 9.447476222e+00 9.447476222e+00 2.34 8.762679346e+00 8.762679346e+00 2.36 8.128477245e+00 8.128477245e+00 2.38 7.540734219e+00 7.540734219e+00 2.40 6.995493194e+00 6.995493194e+00 2.42 6.488492131e+00 6.488492131e+00 2.44 6.017246493e+00 6.017246493e+00 2.46 5.578799924e+00 5.578799924e+00 2.48 5.170759405e+00 5.170759405e+00 2.50 4.790866286e+00 4.790866286e+00 2.52 4.437070853e+00 4.437070853e+00 2.54 4.107539248e+00 4.107539248e+00 2.56 3.800587039e+00 3.800587039e+00 2.58 3.514679614e+00 3.514679614e+00 2.60 3.248288578e+00 3.248288578e+00 2.62 3.000076831e+00 3.000076831e+00 2.64 2.768902924e+00 2.768902924e+00 2.66 2.553696294e+00 2.553696294e+00 2.68 2.353061217e+00 2.353061217e+00 2.70 2.166462193e+00 2.166462193e+00 2.72 1.992892899e+00 1.992892899e+00 2.74 1.831409917e+00 1.831409917e+00 2.76 1.681127839e+00 1.681127839e+00 2.78 1.541211893e+00 1.541211893e+00 2.80 1.410879579e+00 1.410879579e+00 2.82 1.289396176e+00 1.289396176e+00 2.84 1.175950429e+00 1.175950429e+00 2.86 1.069635810e+00 1.069635810e+00 2.88 9.702931975e-01 9.702931975e-01 2.90 8.773811155e-01 8.773811155e-01 2.92 7.903766781e-01 7.903766781e-01 2.94 7.087875525e-01 7.087875525e-01 2.96 6.316634931e-01 6.316634931e-01 2.98 5.589361124e-01 5.589361124e-01 3.00 4.905006434e-01 4.905006434e-01 3.02 4.260008302e-01 4.260008302e-01 3.04 3.649851869e-01 3.649851869e-01 3.06 3.072890016e-01 3.072890016e-01 3.08 2.526892569e-01 2.526892569e-01 3.10 2.009486602e-01 2.009486602e-01 3.12 1.518301307e-01 1.518301307e-01 3.14 1.051971204e-01 1.051971204e-01 3.16 6.089302066e-02 6.089302066e-02 3.18 1.876324540e-02 1.876324540e-02 3.20 -2.130799131e-02 -2.130799131e-02 3.22 -5.939099437e-02 -5.939099437e-02 3.24 -9.557348445e-02 -9.557348445e-02 3.26 -1.299304533e-01 -1.299304533e-01 3.28 -1.625262324e-01 -1.625262324e-01 3.30 -1.934164137e-01 -1.934164137e-01 3.32 -2.226496107e-01 -2.226496107e-01 3.34 -2.502690508e-01 -2.502690508e-01 3.36 -2.763139956e-01 -2.763139956e-01 3.38 -3.008209851e-01 -3.008209851e-01 3.40 -3.238249105e-01 -3.238249105e-01 3.42 -3.453599171e-01 -3.453599171e-01 3.44 -3.654601461e-01 -3.654601461e-01 3.46 -3.841603231e-01 -3.841603231e-01 3.48 -4.014962025e-01 -4.014962025e-01 3.50 -4.176604036e-01 -4.176604036e-01 3.52 -4.327143136e-01 -4.327143136e-01 3.54 -4.464420482e-01 -4.464420482e-01 3.56 -4.588998189e-01 -4.588998189e-01 3.58 -4.701432723e-01 -4.701432723e-01 3.60 -4.802273210e-01 -4.802273210e-01 3.62 -4.892063562e-01 -4.892063562e-01 3.64 -4.971342478e-01 -4.971342478e-01 3.66 -5.040642928e-01 -5.040642928e-01 3.68 -5.100514705e-01 -5.100514705e-01 3.70 -5.152711570e-01 -5.152711570e-01 3.72 -5.197832755e-01 -5.197832755e-01 3.74 -5.234882191e-01 -5.234882191e-01 3.76 -5.263965732e-01 -5.263965732e-01 3.78 -5.285642180e-01 -5.285642180e-01 3.80 -5.300442442e-01 -5.300442442e-01 3.82 -5.309100113e-01 -5.309100113e-01 3.84 -5.311876078e-01 -5.311876078e-01 3.86 -5.309152344e-01 -5.309152344e-01 3.88 -5.301357126e-01 -5.301357126e-01 3.90 -5.288891455e-01 -5.288891455e-01 3.92 -5.272129947e-01 -5.272129947e-01 3.94 -5.251421677e-01 -5.251421677e-01 3.96 -5.227088438e-01 -5.227088438e-01 3.98 -5.199430158e-01 -5.199430158e-01 4.00 -5.168730752e-01 -5.168730752e-01 4.02 -5.135247697e-01 -5.135247697e-01 4.04 -5.099218628e-01 -5.099218628e-01 4.06 -5.060862591e-01 -5.060862591e-01 4.08 -5.020381291e-01 -5.020381291e-01 4.10 -4.977960318e-01 -4.977960318e-01 4.12 -4.933770326e-01 -4.933770326e-01 4.14 -4.887968170e-01 -4.887968170e-01 4.16 -4.840697964e-01 -4.840697964e-01 4.18 -4.792092077e-01 -4.792092077e-01 4.20 -4.742272046e-01 -4.742272046e-01 4.22 -4.691349434e-01 -4.691349434e-01 4.24 -4.639930911e-01 -4.639930911e-01 4.26 -4.587588375e-01 -4.587588375e-01 4.28 -4.534334547e-01 -4.534334547e-01 4.30 -4.480260866e-01 -4.480260866e-01 4.32 -4.425448384e-01 -4.425448384e-01 4.34 -4.369973455e-01 -4.369973455e-01 4.36 -4.313903910e-01 -4.313903910e-01 4.38 -4.257300113e-01 -4.257300113e-01 4.40 -4.200215828e-01 -4.200215828e-01 4.42 -4.142698738e-01 -4.142698738e-01 4.44 -4.084790859e-01 -4.084790859e-01 4.46 -4.026528927e-01 -4.026528927e-01 4.48 -3.967944794e-01 -3.967944794e-01 4.50 -3.909540245e-01 -3.909540245e-01 4.52 -3.851440816e-01 -3.851440816e-01 4.54 -3.792915039e-01 -3.792915039e-01 4.56 -3.734001504e-01 -3.734001504e-01 4.58 -3.674734991e-01 -3.674734991e-01 4.60 -3.615145001e-01 -3.615145001e-01 4.62 -3.555256464e-01 -3.555256464e-01 4.64 -3.495090426e-01 -3.495090426e-01 4.66 -3.434664709e-01 -3.434664709e-01 4.68 -3.373994562e-01 -3.373994562e-01 4.70 -3.313093265e-01 -3.313093265e-01 4.72 -3.251972722e-01 -3.251972722e-01 4.74 -3.190644003e-01 -3.190644003e-01 4.76 -3.129117862e-01 -3.129117862e-01 4.78 -3.067405211e-01 -3.067405211e-01 4.80 -3.005517557e-01 -3.005517557e-01 4.82 -2.943467393e-01 -2.943467393e-01 4.84 -2.881268553e-01 -2.881268553e-01 4.86 -2.818936518e-01 -2.818936518e-01 4.88 -2.756488680e-01 -2.756488680e-01 4.90 -2.693944562e-01 -2.693944562e-01 4.92 -2.631325994e-01 -2.631325994e-01 4.94 -2.568657249e-01 -2.568657249e-01 4.96 -2.505964483e-01 -2.505964483e-01 4.98 -2.443277684e-01 -2.443277684e-01 5.00 -2.380629009e-01 -2.380629009e-01 5.02 -2.318052972e-01 -2.318052972e-01 5.04 -2.255586590e-01 -2.255586590e-01 5.06 -2.193269281e-01 -2.193269281e-01 5.08 -2.131142732e-01 -2.131142732e-01 5.10 -2.069250743e-01 -2.069250743e-01 5.12 -2.007639035e-01 -2.007639035e-01 5.14 -1.946355049e-01 -1.946355049e-01 5.16 -1.885447705e-01 -1.885447705e-01 5.18 -1.824967163e-01 -1.824967163e-01 5.20 -1.764964550e-01 -1.764964550e-01 5.22 -1.705491692e-01 -1.705491692e-01 5.24 -1.646655954e-01 -1.646655954e-01 5.26 -1.589121057e-01 -1.589121057e-01 5.28 -1.532171449e-01 -1.532171449e-01 5.30 -1.475870051e-01 -1.475870051e-01 5.32 -1.420278005e-01 -1.420278005e-01 5.34 -1.365454440e-01 -1.365454440e-01 5.36 -1.311456263e-01 -1.311456263e-01 5.38 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