# 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 = F2IdK # 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 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 2.774889338e+05 2.774889338e+05 1.32 2.235246417e+05 2.235246417e+05 1.34 1.806242772e+05 1.806242772e+05 1.36 1.464047029e+05 1.464047029e+05 1.38 1.190199703e+05 1.190199703e+05 1.40 9.703564782e+04 9.703564782e+04 1.42 7.933270571e+04 7.933270571e+04 1.44 6.503485537e+04 6.503485537e+04 1.46 5.345355218e+04 5.345355218e+04 1.48 4.404645151e+04 4.404645151e+04 1.50 3.638455563e+04 3.638455563e+04 1.52 3.012756385e+04 3.012756385e+04 1.54 2.500467139e+04 2.500467139e+04 1.56 2.079985597e+04 2.079985597e+04 1.58 1.734018757e+04 1.734018757e+04 1.60 1.448688110e+04 1.448688110e+04 1.62 1.212823540e+04 1.212823540e+04 1.64 1.017403564e+04 1.017403564e+04 1.66 8.551477180e+03 8.551477180e+03 1.68 7.201436332e+03 7.201436332e+03 1.70 6.075817854e+03 6.075817854e+03 1.72 5.135426684e+03 5.135426684e+03 1.74 4.348240917e+03 4.348240917e+03 1.76 3.688007631e+03 3.688007631e+03 1.78 3.133235066e+03 3.133235066e+03 1.80 2.666243976e+03 2.666243976e+03 1.82 2.272456060e+03 2.272456060e+03 1.84 1.939819517e+03 1.939819517e+03 1.86 1.658362504e+03 1.658362504e+03 1.88 1.419819425e+03 1.419819425e+03 1.90 1.217322216e+03 1.217322216e+03 1.92 1.045141803e+03 1.045141803e+03 1.94 8.985241548e+02 8.985241548e+02 1.96 7.734869905e+02 7.734869905e+02 1.98 6.666976537e+02 6.666976537e+02 2.00 5.753633611e+02 5.753633611e+02 2.02 4.971377665e+02 4.971377665e+02 2.04 4.300454438e+02 4.300454438e+02 2.06 3.724273581e+02 3.724273581e+02 2.08 3.228808475e+02 3.228808475e+02 2.10 2.802206492e+02 2.802206492e+02 2.12 2.434357117e+02 2.434357117e+02 2.14 2.116802114e+02 2.116802114e+02 2.16 1.842388273e+02 1.842388273e+02 2.18 1.604975489e+02 1.604975489e+02 2.20 1.399334689e+02 1.399334689e+02 2.22 1.221009855e+02 1.221009855e+02 2.24 1.066188499e+02 1.066188499e+02 2.26 9.316285995e+01 9.316285995e+01 2.28 8.145522425e+01 8.145522425e+01 2.30 7.125773874e+01 7.125773874e+01 2.32 6.236606645e+01 6.236606645e+01 2.34 5.460429693e+01 5.460429693e+01 2.36 4.782220369e+01 4.782220369e+01 2.38 4.189037431e+01 4.189037431e+01 2.40 3.669728978e+01 3.669728978e+01 2.42 3.214216089e+01 3.214216089e+01 2.44 2.814691951e+01 2.814691951e+01 2.46 2.464052374e+01 2.464052374e+01 2.48 2.156073367e+01 2.156073367e+01 2.50 1.885359962e+01 1.885359962e+01 2.52 1.647236602e+01 1.647236602e+01 2.54 1.437668785e+01 1.437668785e+01 2.56 1.253129730e+01 1.253129730e+01 2.58 1.090554979e+01 1.090554979e+01 2.60 9.472543772e+00 9.472543772e+00 2.62 8.208959556e+00 8.208959556e+00 2.64 7.094861668e+00 7.094861668e+00 2.66 6.112046891e+00 6.112046891e+00 2.68 5.245165542e+00 5.245165542e+00 2.70 4.480871375e+00 4.480871375e+00 2.72 3.807133183e+00 3.807133183e+00 2.74 3.213416587e+00 3.213416587e+00 2.76 2.690373996e+00 2.690373996e+00 2.78 2.229804928e+00 2.229804928e+00 2.80 1.824567614e+00 1.824567614e+00 2.82 1.468248837e+00 1.468248837e+00 2.84 1.155201366e+00 1.155201366e+00 2.86 8.804288691e-01 8.804288691e-01 2.88 6.387381262e-01 6.387381262e-01 2.90 4.270565784e-01 4.270565784e-01 2.92 2.419367848e-01 2.419367848e-01 2.94 8.026266667e-02 8.026266667e-02 2.96 -6.073185950e-02 -6.073185950e-02 2.98 -1.835010950e-01 -1.835010950e-01 3.00 -2.902209135e-01 -2.902209135e-01 3.02 -3.829770012e-01 -3.829770012e-01 3.04 -4.633141635e-01 -4.633141635e-01 3.06 -5.327210069e-01 -5.327210069e-01 3.08 -5.925433743e-01 -5.925433743e-01 3.10 -6.438915528e-01 -6.438915528e-01 3.12 -6.877942834e-01 -6.877942834e-01 3.14 -7.251499334e-01 -7.251499334e-01 3.16 -7.567410114e-01 -7.567410114e-01 3.18 -7.833593822e-01 -7.833593822e-01 3.20 -8.055038885e-01 -8.055038885e-01 3.22 -8.236296293e-01 -8.236296293e-01 3.24 -8.381862822e-01 -8.381862822e-01 3.26 -8.495627015e-01 -8.495627015e-01 3.28 -8.580955630e-01 -8.580955630e-01 3.30 -8.640771107e-01 -8.640771107e-01 3.32 -8.677620401e-01 -8.677620401e-01 3.34 -8.693735569e-01 -8.693735569e-01 3.36 -8.691086568e-01 -8.691086568e-01 3.38 -8.671426774e-01 -8.671426774e-01 3.40 -8.636331777e-01 -8.636331777e-01 3.42 -8.587220759e-01 -8.587220759e-01 3.44 -8.525412991e-01 -8.525412991e-01 3.46 -8.452132711e-01 -8.452132711e-01 3.48 -8.368528557e-01 -8.368528557e-01 3.50 -8.280774969e-01 -8.280774969e-01 3.52 -8.183941087e-01 -8.183941087e-01 3.54 -8.078733309e-01 -8.078733309e-01 3.56 -7.966319151e-01 -7.966319151e-01 3.58 -7.847786112e-01 -7.847786112e-01 3.60 -7.724153514e-01 -7.724153514e-01 3.62 -7.596378253e-01 -7.596378253e-01 3.64 -7.465359065e-01 -7.465359065e-01 3.66 -7.331939484e-01 -7.331939484e-01 3.68 -7.196950551e-01 -7.196950551e-01 3.70 -7.063755405e-01 -7.063755405e-01 3.72 -6.929987268e-01 -6.929987268e-01 3.74 -6.796178460e-01 -6.796178460e-01 3.76 -6.662990582e-01 -6.662990582e-01 3.78 -6.532265855e-01 -6.532265855e-01 3.80 -6.403139913e-01 -6.403139913e-01 3.82 -6.276064653e-01 -6.276064653e-01 3.84 -6.151467182e-01 -6.151467182e-01 3.86 -6.029711425e-01 -6.029711425e-01 3.88 -5.911099984e-01 -5.911099984e-01 3.90 -5.795876392e-01 -5.795876392e-01 3.92 -5.684227786e-01 -5.684227786e-01 3.94 -5.576288005e-01 -5.576288005e-01 3.96 -5.472133410e-01 -5.472133410e-01 3.98 -5.371805760e-01 -5.371805760e-01 4.00 -5.275307152e-01 -5.275307152e-01 4.02 -5.182596357e-01 -5.182596357e-01 4.04 -5.093599398e-01 -5.093599398e-01 4.06 -5.008214212e-01 -5.008214212e-01 4.08 -4.926315320e-01 -4.926315320e-01 4.10 -4.847758401e-01 -4.847758401e-01 4.12 -4.772384707e-01 -4.772384707e-01 4.14 -4.700025226e-01 -4.700025226e-01 4.16 -4.630504546e-01 -4.630504546e-01 4.18 -4.563644350e-01 -4.563644350e-01 4.20 -4.499266511e-01 -4.499266511e-01 4.22 -4.437195752e-01 -4.437195752e-01 4.24 -4.377261869e-01 -4.377261869e-01 4.26 -4.319301489e-01 -4.319301489e-01 4.28 -4.263159407e-01 -4.263159407e-01 4.30 -4.208689496e-01 -4.208689496e-01 4.32 -4.155821464e-01 -4.155821464e-01 4.34 -4.104849413e-01 -4.104849413e-01 4.36 -4.055058973e-01 -4.055058973e-01 4.38 -4.006359635e-01 -4.006359635e-01 4.40 -3.958667275e-01 -3.958667275e-01 4.42 -3.911903590e-01 -3.911903590e-01 4.44 -3.865995455e-01 -3.865995455e-01 4.46 -3.820874193e-01 -3.820874193e-01 4.48 -3.776474803e-01 -3.776474803e-01 4.50 -3.733602230e-01 -3.733602230e-01 4.52 -3.691447986e-01 -3.691447986e-01 4.54 -3.649617384e-01 -3.649617384e-01 4.56 -3.608090574e-01 -3.608090574e-01 4.58 -3.566842355e-01 -3.566842355e-01 4.60 -3.525842371e-01 -3.525842371e-01 4.62 -3.485763499e-01 -3.485763499e-01 4.64 -3.447286110e-01 -3.447286110e-01 4.66 -3.408624095e-01 -3.408624095e-01 4.68 -3.369766625e-01 -3.369766625e-01 4.70 -3.330695931e-01 -3.330695931e-01 4.72 -3.291388139e-01 -3.291388139e-01 4.74 -3.251814132e-01 -3.251814132e-01 4.76 -3.211940422e-01 -3.211940422e-01 4.78 -3.171733375e-01 -3.171733375e-01 4.80 -3.131150331e-01 -3.131150331e-01 4.82 -3.090148496e-01 -3.090148496e-01 4.84 -3.048679794e-01 -3.048679794e-01 4.86 -3.006709057e-01 -3.006709057e-01 4.88 -2.964194662e-01 -2.964194662e-01 4.90 -2.921096442e-01 -2.921096442e-01 4.92 -2.877376394e-01 -2.877376394e-01 4.94 -2.832999354e-01 -2.832999354e-01 4.96 -2.787932963e-01 -2.787932963e-01 4.98 -2.742147415e-01 -2.742147415e-01 5.00 -2.695622799e-01 -2.695622799e-01 5.02 -2.648340945e-01 -2.648340945e-01 5.04 -2.600289083e-01 -2.600289083e-01 5.06 -2.551460183e-01 -2.551460183e-01 5.08 -2.501853229e-01 -2.501853229e-01 5.10 -2.451473437e-01 -2.451473437e-01 5.12 -2.400332401e-01 -2.400332401e-01 5.14 -2.348448188e-01 -2.348448188e-01 5.16 -2.295845365e-01 -2.295845365e-01 5.18 -2.242554967e-01 -2.242554967e-01 5.20 -2.188614549e-01 -2.188614549e-01 5.22 -2.134836044e-01 -2.134836044e-01 5.24 -2.080560169e-01 -2.080560169e-01 5.26 -2.025655244e-01 -2.025655244e-01 5.28 -1.970197883e-01 -1.970197883e-01 5.30 -1.914368935e-01 -1.914368935e-01 5.32 -1.858208394e-01 -1.858208394e-01 5.34 -1.801719806e-01 -1.801719806e-01 5.36 -1.744995054e-01 -1.744995054e-01 5.38 -1.688127790e-01 -1.688127790e-01 5.40 -1.631213031e-01 -1.631213031e-01 5.42 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