{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.210103 0.75 0.301411 ] [ 0.789897 0.25 0.698589 ] [ 0.606063 0.25 0.154384 ] [ 0.393937 0.75 0.845616 ] [ 0.140144 0.75 0.896104 ] [ 0.859856 0.25 0.103896 ] [ 0.420989 0.25 0.190952 ] [ 0.579011 0.75 0.809048 ] [ 0.252174 0.25 0.548368 ] [ 0.747826 0.75 0.451632 ] ] } "species" { "source-value" [ "Ba" "Ba" "C" "C" "S" "S" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.91308569659 "source-unit" "angstrom" } "b" { "source-value" 4.68979536 "source-unit" "angstrom" } "c" { "source-value" 8.9049771892 "source-unit" "angstrom" } "beta" { "source-value" 98.7109482624 "source-unit" "degree" } }