{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Icma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.5 0.795014 0.109403 ] [ 0 0.204986 0.109403 ] [ 0 0.795014 0.890597 ] [ 0.5 0.204986 0.890597 ] [ 0 0.295014 0.609403 ] [ 0.5 0.704986 0.609403 ] [ 0.5 0.295014 0.390597 ] [ 0 0.704986 0.390597 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14326064273 "source-unit" "angstrom" } "b" { "source-value" 6.50542479533 "source-unit" "angstrom" } "c" { "source-value" 12.1736472434 "source-unit" "angstrom" } }