{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.291139 0.291139 0.708861 ] [ 0.291139 0.708861 0.291139 ] [ 0.708861 0.291139 0.291139 ] [ 0.708861 0.708861 0.708861 ] [ 0.787539 0.787539 0.212461 ] [ 0.787539 0.212461 0.787539 ] [ 0.212461 0.787539 0.787539 ] [ 0.212461 0.212461 0.212461 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.236568 ] [ 0.5 0.763432 0 ] [ 0.763432 0 0.5 ] [ 0 0.763432 0.5 ] [ 0.5 0 0.236568 ] [ 0.763432 0.5 0 ] [ 0 0.5 0.763432 ] [ 0.5 0.236568 0 ] [ 0 0.236568 0.5 ] [ 0.5 0 0.763432 ] [ 0.236568 0 0.5 ] [ 0.236568 0.5 0 ] [ 0 0 0.263811 ] [ 0 0.736189 0 ] [ 0.736189 0 0 ] [ 0 0 0.736189 ] [ 0 0.263811 0 ] [ 0.263811 0 0 ] [ 0.627317 0.627317 0.372683 ] [ 0.627317 0.372683 0.627317 ] [ 0.372683 0.627317 0.627317 ] [ 0.372683 0.372683 0.372683 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.6852895 "source-unit" "angstrom" } }