{ "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 0.852325 0.25 ] [ 0 0.147675 0.75 ] [ 0.5 0.352325 0.25 ] [ 0.5 0.647675 0.75 ] [ 0.5 0.062503 0.25 ] [ 0.5 0.937497 0.75 ] [ 0 0.562503 0.25 ] [ 0 0.437497 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "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" 3.0528781 "source-unit" "angstrom" } "b" { "source-value" 8.03465324 "source-unit" "angstrom" } "c" { "source-value" 2.96925839 "source-unit" "angstrom" } }