{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.218203 0.75 ] [ 0.5 0.781797 0.25 ] [ 0 0.718203 0.75 ] [ 0 0.281797 0.25 ] [ 0 0.879169 0.75 ] [ 0.5 0.135121 0.900017 ] [ 0.5 0.135121 0.599983 ] [ 0.5 0.864879 0.400017 ] [ 0.5 0.864879 0.099983 ] [ 0 0.120831 0.25 ] [ 0.5 0.379169 0.75 ] [ 0 0.635121 0.900017 ] [ 0 0.635121 0.599983 ] [ 0 0.364879 0.400017 ] [ 0 0.364879 0.099983 ] [ 0.5 0.620831 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.4668737 "source-unit" "angstrom" } "b" { "source-value" 8.52265789 "source-unit" "angstrom" } "c" { "source-value" 7.9662479 "source-unit" "angstrom" } }