{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.863727 0.5 ] [ 0.5 0.136273 0.5 ] [ 0 0.363727 0.5 ] [ 0 0.636273 0.5 ] [ 0 0.217275 0 ] [ 0 0 0 ] [ 0 0.782725 0 ] [ 0.5 0.717275 0 ] [ 0.5 0.5 0 ] [ 0.5 0.282725 0 ] [ 0 0.104956 0 ] [ 0 0.895044 0 ] [ 0.5 0.604956 0 ] [ 0.5 0.395044 0 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.39597413069 "source-unit" "angstrom" } "b" { "source-value" 13.7390105593 "source-unit" "angstrom" } "c" { "source-value" 3.65218459 "source-unit" "angstrom" } }