{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.127684 0.127684 0.127684 ] [ 0.341085 0 0.158915 ] [ 0.841085 0.341085 0 ] [ 0.127684 0.872316 0.872316 ] [ 0.872316 0.127684 0.127684 ] [ 0.158915 0.841085 0.5 ] [ 0.872316 0.872316 0.872316 ] [ 0.158915 0.658915 0 ] [ 0.841085 0 0.341085 ] [ 0 0.158915 0.658915 ] [ 0 0.841085 0.658915 ] [ 0.127684 0.872316 0.127684 ] [ 0.127684 0.127684 0.872316 ] [ 0.5 0.841085 0.841085 ] [ 0.658915 0 0.841085 ] [ 0 0 0 ] [ 0.872316 0.872316 0.127684 ] [ 0 0.158915 0.341085 ] [ 0.658915 0 0.158915 ] [ 0.872316 0.127684 0.872316 ] [ 0.841085 0.658915 0 ] [ 0.127684 0.627684 0.627684 ] [ 0.341085 0.5 0.658915 ] [ 0.841085 0.841085 0.5 ] [ 0.127684 0.372316 0.372316 ] [ 0.872316 0.627684 0.627684 ] [ 0.158915 0.341085 0 ] [ 0.872316 0.372316 0.372316 ] [ 0.158915 0.158915 0.5 ] [ 0.841085 0.5 0.841085 ] [ 0 0.658915 0.158915 ] [ 0 0.341085 0.158915 ] [ 0.127684 0.372316 0.627684 ] [ 0.127684 0.627684 0.372316 ] [ 0.5 0.341085 0.341085 ] [ 0.658915 0.5 0.341085 ] [ 0 0.5 0.5 ] [ 0.872316 0.372316 0.627684 ] [ 0 0.658915 0.841085 ] [ 0.658915 0.5 0.658915 ] [ 0.872316 0.627684 0.372316 ] [ 0.841085 0.158915 0.5 ] [ 0.627684 0.127684 0.627684 ] [ 0.841085 0 0.658915 ] [ 0.341085 0.341085 0.5 ] [ 0.627684 0.872316 0.372316 ] [ 0.372316 0.127684 0.627684 ] [ 0.658915 0.841085 0 ] [ 0.372316 0.872316 0.372316 ] [ 0.658915 0.658915 0.5 ] [ 0.341085 0 0.841085 ] [ 0.5 0.158915 0.158915 ] [ 0.5 0.841085 0.158915 ] [ 0.627684 0.872316 0.627684 ] [ 0.627684 0.127684 0.372316 ] [ 0 0.841085 0.341085 ] [ 0.158915 0 0.341085 ] [ 0.5 0 0.5 ] [ 0.372316 0.872316 0.627684 ] [ 0.5 0.158915 0.841085 ] [ 0.158915 0 0.658915 ] [ 0.372316 0.127684 0.372316 ] [ 0.341085 0.658915 0.5 ] [ 0.627684 0.627684 0.127684 ] [ 0.841085 0.5 0.158915 ] [ 0.341085 0.841085 0 ] [ 0.627684 0.372316 0.872316 ] [ 0.372316 0.627684 0.127684 ] [ 0.658915 0.341085 0.5 ] [ 0.372316 0.372316 0.872316 ] [ 0.658915 0.158915 0 ] [ 0.341085 0.5 0.341085 ] [ 0.5 0.658915 0.658915 ] [ 0.5 0.341085 0.658915 ] [ 0.627684 0.372316 0.127684 ] [ 0.627684 0.627684 0.872316 ] [ 0 0.341085 0.841085 ] [ 0.158915 0.5 0.841085 ] [ 0.5 0.5 0 ] [ 0.372316 0.372316 0.127684 ] [ 0.5 0.658915 0.341085 ] [ 0.158915 0.5 0.158915 ] [ 0.372316 0.627684 0.872316 ] [ 0.341085 0.158915 0 ] [ 0.189064 0.689064 0.810936 ] [ 0.310936 0.689064 0.689064 ] [ 0.810936 0.189064 0.310936 ] [ 0.189064 0.810936 0.689064 ] [ 0.689064 0.310936 0.310936 ] [ 0.689064 0.189064 0.189064 ] [ 0.310936 0.810936 0.810936 ] [ 0.810936 0.310936 0.189064 ] [ 0.189064 0.189064 0.310936 ] [ 0.310936 0.189064 0.189064 ] [ 0.810936 0.689064 0.810936 ] [ 0.189064 0.310936 0.189064 ] [ 0.689064 0.810936 0.810936 ] [ 0.689064 0.689064 0.689064 ] [ 0.310936 0.310936 0.310936 ] [ 0.810936 0.810936 0.689064 ] [ 0.689064 0.689064 0.310936 ] [ 0.810936 0.689064 0.189064 ] [ 0.310936 0.189064 0.810936 ] [ 0.689064 0.810936 0.189064 ] [ 0.189064 0.310936 0.810936 ] [ 0.189064 0.189064 0.689064 ] [ 0.810936 0.810936 0.310936 ] [ 0.310936 0.310936 0.689064 ] [ 0.689064 0.189064 0.810936 ] [ 0.810936 0.189064 0.689064 ] [ 0.310936 0.689064 0.310936 ] [ 0.689064 0.310936 0.689064 ] [ 0.189064 0.810936 0.310936 ] [ 0.189064 0.689064 0.189064 ] [ 0.810936 0.310936 0.810936 ] [ 0.310936 0.810936 0.189064 ] [ 0 0 0.787341 ] [ 0 0.787341 0 ] [ 0 0.212659 0 ] [ 0.212659 0 0 ] [ 0 0 0.212659 ] [ 0.787341 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.287341 ] [ 0 0.287341 0.5 ] [ 0 0.712659 0.5 ] [ 0.212659 0.5 0.5 ] [ 0 0.5 0.712659 ] [ 0.787341 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.287341 ] [ 0.5 0.787341 0.5 ] [ 0.5 0.212659 0.5 ] [ 0.712659 0 0.5 ] [ 0.5 0 0.712659 ] [ 0.287341 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.787341 ] [ 0.5 0.287341 0 ] [ 0.5 0.712659 0 ] [ 0.712659 0.5 0 ] [ 0.5 0.5 0.212659 ] [ 0.287341 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 17.6990038296 "source-unit" "angstrom" } }