{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.866911 0.434569 ] [ 0 0.133089 0.565431 ] [ 0.5 0.923449 0.75 ] [ 0.5 0.076551 0.25 ] [ 0 0.866911 0.065431 ] [ 0 0.133089 0.934569 ] [ 0.5 0.366911 0.434569 ] [ 0.5 0.633089 0.565431 ] [ 0 0.423449 0.75 ] [ 0 0.576551 0.25 ] [ 0.5 0.366911 0.065431 ] [ 0.5 0.633089 0.934569 ] [ 0.5 0.755175 0.25 ] [ 0.5 0.244825 0.75 ] [ 0 0.255175 0.25 ] [ 0 0.744825 0.75 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "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" 2.91168302 "source-unit" "angstrom" } "b" { "source-value" 9.41024642 "source-unit" "angstrom" } "c" { "source-value" 7.368135 "source-unit" "angstrom" } }