{ "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 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.990932 0.962914 0.75 ] [ 0.509068 0.462914 0.75 ] [ 0.490932 0.537086 0.25 ] [ 0.009068 0.037086 0.25 ] [ 0.118154 0.421904 0.25 ] [ 0.170238 0.174583 0.565172 ] [ 0.170238 0.174583 0.934828 ] [ 0.329762 0.674583 0.565172 ] [ 0.329762 0.674583 0.934828 ] [ 0.381846 0.921904 0.25 ] [ 0.618154 0.078096 0.75 ] [ 0.670238 0.325417 0.065172 ] [ 0.670238 0.325417 0.434828 ] [ 0.829762 0.825417 0.065172 ] [ 0.829762 0.825417 0.434828 ] [ 0.881846 0.578096 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Fe" "Fe" "Fe" "Fe" "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" 5.42772175 "source-unit" "angstrom" } "b" { "source-value" 5.51152736 "source-unit" "angstrom" } "c" { "source-value" 7.87528844 "source-unit" "angstrom" } }