{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.752643 0.25 0.248151 ] [ 0.247357 0.75 0.751849 ] [ 0.28205 0.75 0.486717 ] [ 0.764617 0.25 0.989713 ] [ 0.71795 0.25 0.513283 ] [ 0.235383 0.75 0.010287 ] [ 0.418577 0.25 0.366294 ] [ 0.918427 0.75 0.873339 ] [ 0.907284 0.75 0.385517 ] [ 0.409218 0.25 0.884103 ] [ 0.092716 0.25 0.614483 ] [ 0.590782 0.75 0.115897 ] [ 0.581423 0.75 0.633706 ] [ 0.081573 0.25 0.126661 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.94757195 "source-unit" "angstrom" } "b" { "source-value" 3.44326928 "source-unit" "angstrom" } "c" { "source-value" 11.09505703 "source-unit" "angstrom" } "beta" { "source-value" 91.2341331 "source-unit" "degree" } }