{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.012921 ] [ 0.666667 0.333333 0.346255 ] [ 0.333333 0.666667 0.679588 ] [ 0 0 0.614589 ] [ 0.666667 0.333333 0.947922 ] [ 0.333333 0.666667 0.281256 ] [ 0 0 0.485696 ] [ 0.666667 0.333333 0.819029 ] [ 0.333333 0.666667 0.152362 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "H" "H" "H" "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" 3.78364115744 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }