{ "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" [ [ 0.981645 0.069117 0.25 ] [ 0.481645 0.430883 0.75 ] [ 0.518355 0.569117 0.25 ] [ 0.018355 0.930883 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.105266 0.467661 0.25 ] [ 0.605266 0.032339 0.75 ] [ 0.394734 0.967661 0.25 ] [ 0.894734 0.532339 0.75 ] [ 0.694672 0.299992 0.052618 ] [ 0.194672 0.200008 0.947382 ] [ 0.805328 0.799992 0.447382 ] [ 0.305328 0.700008 0.552618 ] [ 0.305328 0.700008 0.947382 ] [ 0.805328 0.799992 0.052618 ] [ 0.194672 0.200008 0.552618 ] [ 0.694672 0.299992 0.447382 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Ti" "Ti" "Ti" "Ti" "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" 5.41192872 "source-unit" "angstrom" } "b" { "source-value" 5.70620264 "source-unit" "angstrom" } "c" { "source-value" 7.74671876 "source-unit" "angstrom" } }