{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.330281 0.152007 ] [ 0.75 0.830281 0.347993 ] [ 0.25 0.169719 0.652007 ] [ 0.75 0.669719 0.847993 ] [ 0.75 0.468872 0.248342 ] [ 0.25 0.968872 0.251658 ] [ 0.75 0.031128 0.748342 ] [ 0.25 0.531128 0.751658 ] [ 0.75 0.069035 0.088607 ] [ 0.25 0.569035 0.411393 ] [ 0.75 0.430965 0.588607 ] [ 0.25 0.930965 0.911393 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.57274592 "source-unit" "angstrom" } "b" { "source-value" 4.3489893 "source-unit" "angstrom" } "c" { "source-value" 12.57652721 "source-unit" "angstrom" } }