{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.182001 0.278229 ] [ 0.5 0.817999 0.778229 ] [ 0 0.682001 0.278229 ] [ 0 0.317999 0.778229 ] [ 0 0.020764 0.44468 ] [ 0 0.979236 0.94468 ] [ 0.5 0.520764 0.44468 ] [ 0.5 0.479236 0.94468 ] [ 0.5 0.789385 0.278579 ] [ 0.5 0.210615 0.778579 ] [ 0 0.080551 0.26605 ] [ 0 0.919449 0.76605 ] [ 0 0.289385 0.278579 ] [ 0 0.710615 0.778579 ] [ 0.5 0.580551 0.26605 ] [ 0.5 0.419449 0.76605 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "H" "H" "H" "H" "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" 2.90074955754 "source-unit" "angstrom" } "b" { "source-value" 12.3044085779 "source-unit" "angstrom" } "c" { "source-value" 3.73205620469 "source-unit" "angstrom" } }