{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.607767 0.25 ] [ 0 0.392233 0.75 ] [ 0.5 0.944909 0.25 ] [ 0.5 0.055091 0.75 ] [ 0.5 0.700407 0.568337 ] [ 0.5 0.299593 0.431663 ] [ 0 0 0 ] [ 0.5 0.700407 0.931663 ] [ 0.5 0.299593 0.068337 ] [ 0 0 0.5 ] [ 0 0.815858 0.75 ] [ 0 0.184142 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.47214296 "source-unit" "angstrom" } "b" { "source-value" 8.06966616 "source-unit" "angstrom" } "c" { "source-value" 8.74549656 "source-unit" "angstrom" } }