{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.334024 0.25 ] [ 0.5 0.665976 0.75 ] [ 0 0.827226 0.25 ] [ 0 0.172774 0.75 ] [ 0.744306 0.373698 0.607106 ] [ 0.255694 0.373698 0.892894 ] [ 0.255694 0.626302 0.392894 ] [ 0.744306 0.626302 0.107106 ] [ 0.788685 0.89016 0.566863 ] [ 0.211315 0.89016 0.933137 ] [ 0.211315 0.10984 0.433137 ] [ 0.788685 0.10984 0.066863 ] ] } "species" { "source-value" [ "Fe" "Fe" "W" "W" "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" 4.82178719166 "source-unit" "angstrom" } "b" { "source-value" 5.7657871 "source-unit" "angstrom" } "c" { "source-value" 5.11019907419 "source-unit" "angstrom" } "beta" { "source-value" 90.869316696 "source-unit" "degree" } }