{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.586801 0.536056 0.205072 ] [ 0.913199 0.036056 0.294928 ] [ 0.913199 0.963944 0.794928 ] [ 0.586801 0.463944 0.705072 ] [ 0.086801 0.036056 0.205072 ] [ 0.413199 0.536056 0.294928 ] [ 0.413199 0.463944 0.794928 ] [ 0.086801 0.963944 0.705072 ] [ 0 0.59429 0.25 ] [ 0.5 0.90571 0.75 ] [ 0.5 0.09429 0.25 ] [ 0 0.40571 0.75 ] [ 0.023069 0.705396 0.100469 ] [ 0.976931 0.705396 0.399531 ] [ 0.476931 0.794604 0.899531 ] [ 0.523069 0.794604 0.600469 ] [ 0.694405 0.981873 0.345585 ] [ 0.805595 0.481873 0.154415 ] [ 0.805595 0.518127 0.654415 ] [ 0.694405 0.018127 0.845585 ] [ 0.5 0.611205 0.25 ] [ 0 0.888795 0.75 ] [ 0.523069 0.205396 0.100469 ] [ 0.476931 0.205396 0.399531 ] [ 0.976931 0.294604 0.899531 ] [ 0.023069 0.294604 0.600469 ] [ 0.194405 0.481873 0.345585 ] [ 0.305595 0.981873 0.154415 ] [ 0.305595 0.018127 0.654415 ] [ 0.194405 0.518127 0.845585 ] [ 0 0.111205 0.25 ] [ 0.5 0.388795 0.75 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.97377901918 "source-unit" "angstrom" } "b" { "source-value" 7.69062334 "source-unit" "angstrom" } "c" { "source-value" 7.55776919498 "source-unit" "angstrom" } "beta" { "source-value" 115.880819775 "source-unit" "degree" } }