{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.814009 ] [ 0 0 0.185991 ] [ 0 0.5 0 ] [ 0.5 0.5 0.314009 ] [ 0.5 0.5 0.685991 ] [ 0.5 0 0.5 ] [ 0.5 0 0.066378 ] [ 0.5 0 0.933622 ] [ 0.5 0.5 0.139821 ] [ 0.5 0.5 0.860179 ] [ 0 0.5 0.566378 ] [ 0 0.5 0.433622 ] [ 0 0 0.639821 ] [ 0 0 0.360179 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "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" 2.91860012 "source-unit" "angstrom" } "b" { "source-value" 2.94284456 "source-unit" "angstrom" } "c" { "source-value" 13.04384242 "source-unit" "angstrom" } }