{ "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 0.166212 ] [ 0.666667 0.333333 0.499545 ] [ 0.333333 0.666667 0.832878 ] [ 0 0 0.997757 ] [ 0.666667 0.333333 0.331091 ] [ 0.333333 0.666667 0.664424 ] [ 0 0 0.597725 ] [ 0.666667 0.333333 0.931058 ] [ 0.333333 0.666667 0.264392 ] [ 0 0 0.398306 ] [ 0.666667 0.333333 0.731639 ] [ 0.333333 0.666667 0.064973 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "V" "V" "V" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.57161989504 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }