{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.347689 ] [ 0 0.25 0.152311 ] [ 0.5 0.25 0.652311 ] [ 0 0.75 0.847689 ] [ 0.269101 0.579969 0.617578 ] [ 0.769101 0.420031 0.882422 ] [ 0.230899 0.079969 0.882422 ] [ 0.730899 0.920031 0.617578 ] [ 0.269101 0.079969 0.382422 ] [ 0.769101 0.920031 0.117578 ] [ 0.230899 0.579969 0.117578 ] [ 0.730899 0.420031 0.382422 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "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" 4.11412261 "source-unit" "angstrom" } "b" { "source-value" 4.52716268 "source-unit" "angstrom" } "c" { "source-value" 5.0812476 "source-unit" "angstrom" } }