{ "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 0.066779 0.75 ] [ 0 0.933221 0.25 ] [ 0.5 0.566779 0.75 ] [ 0.5 0.433221 0.25 ] [ 0.5 0.852598 0.551669 ] [ 0.5 0.147402 0.448331 ] [ 0.5 0.852598 0.948331 ] [ 0.5 0.147402 0.051669 ] [ 0 0.352598 0.551669 ] [ 0 0.647402 0.448331 ] [ 0 0.352598 0.948331 ] [ 0 0.647402 0.051669 ] [ 0 0.215307 0.25 ] [ 0 0.784693 0.75 ] [ 0.5 0.715307 0.25 ] [ 0.5 0.284693 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "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" 4.47570519 "source-unit" "angstrom" } "b" { "source-value" 10.36617406 "source-unit" "angstrom" } "c" { "source-value" 8.19650363 "source-unit" "angstrom" } }