{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.702086 ] [ 0 0 0.297914 ] [ 0 0.5 0 ] [ 0.5 0 0.107945 ] [ 0.5 0.5 0.223062 ] [ 0.5 0 0.892055 ] [ 0.5 0.5 0.776938 ] ] } "species" { "source-value" [ "Al" "Cr" "Cr" "Cr" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.9388259 "source-unit" "angstrom" } "b" { "source-value" 2.94286851 "source-unit" "angstrom" } "c" { "source-value" 8.0809638 "source-unit" "angstrom" } }