{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.859992 ] [ 0 0.25 0.359992 ] [ 0 0.75 0.640008 ] [ 0.5 0.75 0.140008 ] [ 0.305236 0.875958 0.139156 ] [ 0.694764 0.624042 0.139156 ] [ 0.194764 0.875958 0.639156 ] [ 0.805236 0.124042 0.360844 ] [ 0.805236 0.624042 0.639156 ] [ 0.194764 0.375958 0.360844 ] [ 0.305236 0.375958 0.860844 ] [ 0.694764 0.124042 0.860844 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "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" 4.91528417 "source-unit" "angstrom" } "b" { "source-value" 5.41288723 "source-unit" "angstrom" } "c" { "source-value" 7.23238549 "source-unit" "angstrom" } }