{ "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" [ [ 0.231592 0.880843 0.115374 ] [ 0.768408 0.380843 0.384626 ] [ 0.231592 0.119157 0.384626 ] [ 0.231592 0.619157 0.615374 ] [ 0.768408 0.619157 0.115374 ] [ 0.231592 0.380843 0.884626 ] [ 0.768408 0.880843 0.615374 ] [ 0.768408 0.119157 0.884626 ] [ 0 0.25 0.287693 ] [ 0 0.75 0.712307 ] [ 0.405403 0 0.25 ] [ 0 0.25 0.787693 ] [ 0.5 0.25 0.46806 ] [ 0.405403 0.5 0.75 ] [ 0.594597 0.5 0.25 ] [ 0.5 0.25 0.96806 ] [ 0.5 0.75 0.53194 ] [ 0.5 0.75 0.03194 ] [ 0 0 0 ] [ 0 0.75 0.212307 ] [ 0 0.5 0.5 ] [ 0.594597 0 0.75 ] [ 0 0.5 0 ] [ 0 0 0.5 ] ] } "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" 4.22443139 "source-unit" "angstrom" } "b" { "source-value" 7.62682721 "source-unit" "angstrom" } "c" { "source-value" 8.49738924 "source-unit" "angstrom" } }