{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.681043 0 0.732765 ] [ 0.181043 0.5 0.732765 ] [ 0.811162 0 0.302046 ] [ 0.336361 0 0.779425 ] [ 0.311162 0.5 0.302046 ] [ 0.836361 0.5 0.779425 ] [ 0.642498 0 0.395764 ] [ 0.142498 0.5 0.395764 ] ] } "species" { "source-value" [ "Si" "Si" "H" "H" "H" "H" "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" 4.9292199 "source-unit" "angstrom" } "b" { "source-value" 3.65675514 "source-unit" "angstrom" } "c" { "source-value" 5.01323288 "source-unit" "angstrom" } "beta" { "source-value" 93.29848801 "source-unit" "degree" } }