{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.012139 0.018199 0.25 ] [ 0.487861 0.518199 0.25 ] [ 0.512139 0.481801 0.75 ] [ 0.987861 0.981801 0.75 ] [ 0.132917 0.166719 0.085514 ] [ 0.132917 0.166719 0.414486 ] [ 0.215003 0.398273 0.75 ] [ 0.284997 0.898273 0.75 ] [ 0.367083 0.666719 0.085514 ] [ 0.367083 0.666719 0.414486 ] [ 0.632917 0.333281 0.914486 ] [ 0.632917 0.333281 0.585514 ] [ 0.715003 0.101727 0.25 ] [ 0.784997 0.601727 0.25 ] [ 0.867083 0.833281 0.585514 ] [ 0.867083 0.833281 0.914486 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "I" "I" "I" "I" "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" 5.91506423 "source-unit" "angstrom" } "b" { "source-value" 6.64581725 "source-unit" "angstrom" } "c" { "source-value" 8.44508393 "source-unit" "angstrom" } }