{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.751303 0 ] [ 0.5 0.248697 0 ] [ 0 0.752017 0.5 ] [ 0 0.247983 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.753636 0 0.275377 ] [ 0.758297 0.5 0.273111 ] [ 0.739547 0.753573 0.724847 ] [ 0.260453 0.753573 0.275153 ] [ 0.739547 0.246427 0.724847 ] [ 0.246364 0 0.724623 ] [ 0.260453 0.246427 0.275153 ] [ 0.241703 0.5 0.726889 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08819825 "source-unit" "angstrom" } "b" { "source-value" 5.87789037 "source-unit" "angstrom" } "c" { "source-value" 5.11551503 "source-unit" "angstrom" } "beta" { "source-value" 109.37177092 "source-unit" "degree" } }