{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pccb" } "basis-atom-coordinates" { "source-value" [ [ 0.77324 0.923927 0.102236 ] [ 0.77324 0.576073 0.602236 ] [ 0.77324 0.423927 0.897764 ] [ 0.77324 0.076073 0.397764 ] [ 0.22676 0.423927 0.397764 ] [ 0.22676 0.576073 0.102236 ] [ 0.22676 0.923927 0.602236 ] [ 0.22676 0.076073 0.897764 ] [ 0 0 0.5 ] [ 0.336548 0 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.25 0.839459 ] [ 0.5 0.5 0 ] [ 0 0.75 0.160541 ] [ 0 0.75 0.660541 ] [ 0.336548 0.5 0.25 ] [ 0 0.25 0.339459 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.663452 0.5 0.75 ] [ 0.5 0 0.5 ] [ 0.663452 0 0.25 ] [ 0 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 4.71915876 "source-unit" "angstrom" } "b" { "source-value" 7.1229189 "source-unit" "angstrom" } "c" { "source-value" 9.77474704 "source-unit" "angstrom" } }