{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.252152 0.030514 0.390395 ] [ 0.252152 0.469486 0.609605 ] [ 0.247848 0.530514 0.109605 ] [ 0.247848 0.969486 0.890395 ] [ 0.747848 0.969486 0.609605 ] [ 0.747848 0.530514 0.390395 ] [ 0.752152 0.469486 0.890395 ] [ 0.752152 0.030514 0.109605 ] [ 0.107021 0.101976 0.654002 ] [ 0.107021 0.398024 0.345998 ] [ 0.392979 0.601976 0.845998 ] [ 0.392979 0.898024 0.154002 ] [ 0.892979 0.898024 0.345998 ] [ 0.892979 0.601976 0.654002 ] [ 0.607021 0.398024 0.154002 ] [ 0.607021 0.101976 0.845998 ] [ 0.049404 0.25 0 ] [ 0.450596 0.75 0.5 ] [ 0.950596 0.75 0 ] [ 0.549404 0.25 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 4.84693288 "source-unit" "angstrom" } "b" { "source-value" 4.98540426 "source-unit" "angstrom" } "c" { "source-value" 7.08994123 "source-unit" "angstrom" } }