{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.912175 0.25 ] [ 0 0.087825 0.75 ] [ 0.5 0.412175 0.25 ] [ 0.5 0.587825 0.75 ] [ 0.880626 0.63267 0.89846 ] [ 0.880626 0.36733 0.39846 ] [ 0.119374 0.36733 0.10154 ] [ 0.119374 0.63267 0.60154 ] [ 0.380626 0.13267 0.89846 ] [ 0.380626 0.86733 0.39846 ] [ 0.619374 0.86733 0.10154 ] [ 0.619374 0.13267 0.60154 ] [ 0.702577 0.062477 0.173354 ] [ 0.297423 0.062477 0.326646 ] [ 0.297423 0.937523 0.826646 ] [ 0.702577 0.937523 0.673354 ] [ 0.202577 0.562477 0.173354 ] [ 0.797423 0.562477 0.326646 ] [ 0.797423 0.437523 0.826646 ] [ 0.202577 0.437523 0.673354 ] [ 0.940467 0.778773 0.949984 ] [ 0.940467 0.221227 0.449984 ] [ 0.059533 0.778773 0.550016 ] [ 0.059533 0.221227 0.050016 ] [ 0.440467 0.278773 0.949984 ] [ 0.440467 0.721227 0.449984 ] [ 0.559533 0.278773 0.550016 ] [ 0.559533 0.721227 0.050016 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2260542436 "source-unit" "angstrom" } "b" { "source-value" 6.4464902356 "source-unit" "angstrom" } "c" { "source-value" 8.12078852462 "source-unit" "angstrom" } "beta" { "source-value" 91.182235103 "source-unit" "degree" } }