{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.946978 0 0.000026 ] [ 0.013307 0 0.501039 ] [ 0.483598 0.5 0.751438 ] [ 0.558928 0.5 0.250055 ] [ 0.802965 0.5 0.097324 ] [ 0.682149 0 0.84226 ] [ 0.709724 0 0.353279 ] [ 0.295921 0 0.647526 ] [ 0.813137 0.5 0.594709 ] [ 0.30809 0 0.154617 ] [ 0.182974 0.5 0.90857 ] [ 0.202229 0.5 0.399156 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.78374118 "source-unit" "angstrom" } "b" { "source-value" 3.08140656 "source-unit" "angstrom" } "c" { "source-value" 9.55164542 "source-unit" "angstrom" } "beta" { "source-value" 93.34827202 "source-unit" "degree" } }