{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.851967 0.5 ] [ 0.5 0.148033 0.5 ] [ 0 0.351967 0.5 ] [ 0 0.648033 0.5 ] [ 0 0.205618 0 ] [ 0 0.794382 0 ] [ 0.5 0.705618 0 ] [ 0.5 0.294382 0 ] ] } "species" { "source-value" [ "Al" "Al" "Cr" "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" 2.92686367 "source-unit" "angstrom" } "b" { "source-value" 11.04249531 "source-unit" "angstrom" } "c" { "source-value" 2.93706718 "source-unit" "angstrom" } }