{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0 0.183163 0.807529 ] [ 0.5 0.816837 0.807529 ] [ 0.5 0.183163 0.192471 ] [ 0 0.816837 0.192471 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0.5 0.683163 0.307529 ] [ 0 0.316837 0.307529 ] [ 0 0.683163 0.692471 ] [ 0.5 0.316837 0.692471 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0.5 0.196905 0.899117 ] [ 0.5 0.803095 0.100883 ] [ 0 0.803095 0.899117 ] [ 0 0.196905 0.100883 ] [ 0 0.696905 0.399117 ] [ 0 0.303095 0.600883 ] [ 0.5 0.303095 0.399117 ] [ 0.5 0.696905 0.600883 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.06132350466 "source-unit" "angstrom" } "b" { "source-value" 6.83246751472 "source-unit" "angstrom" } "c" { "source-value" 13.253870376 "source-unit" "angstrom" } }