{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.060758 0.75 ] [ 0 0.939242 0.25 ] [ 0.5 0.560758 0.75 ] [ 0.5 0.439242 0.25 ] [ 0.5 0.845476 0.947338 ] [ 0.5 0.845476 0.552662 ] [ 0.5 0.154524 0.052662 ] [ 0.5 0.154524 0.447338 ] [ 0 0.345476 0.947338 ] [ 0 0.345476 0.552662 ] [ 0 0.654524 0.052662 ] [ 0 0.654524 0.447338 ] [ 0 0.780012 0.75 ] [ 0 0.219988 0.25 ] [ 0.5 0.280012 0.75 ] [ 0.5 0.719988 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "In" "In" "In" "In" "In" "In" "In" "In" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34034625 "source-unit" "angstrom" } "b" { "source-value" 11.16253066 "source-unit" "angstrom" } "c" { "source-value" 8.18679076 "source-unit" "angstrom" } }