{ "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 0.063154 0.25 ] [ 0 0.936846 0.75 ] [ 0.5 0.563154 0.25 ] [ 0.5 0.436846 0.75 ] [ 0.5 0.155652 0.557031 ] [ 0.5 0.844348 0.057031 ] [ 0.5 0.844348 0.442969 ] [ 0.5 0.155652 0.942969 ] [ 0 0.655652 0.557031 ] [ 0 0.344348 0.057031 ] [ 0 0.344348 0.442969 ] [ 0 0.655652 0.942969 ] [ 0 0.786688 0.25 ] [ 0 0.213312 0.75 ] [ 0.5 0.286688 0.25 ] [ 0.5 0.713312 0.75 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11439322485 "source-unit" "angstrom" } "b" { "source-value" 10.1646622337 "source-unit" "angstrom" } "c" { "source-value" 6.85642893727 "source-unit" "angstrom" } }