{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.158577 ] [ 0.333333 0.666667 0.689493 ] [ 0.333333 0.666667 0.339605 ] [ 0.666667 0.333333 0.849186 ] [ 0.333333 0.666667 0.171165 ] [ 0.666667 0.333333 0.017061 ] [ 0.809091 0.618181 0.791846 ] [ 0.4759 0.9518 0.394445 ] [ 0.809091 0.190909 0.791846 ] [ 0.381819 0.190909 0.791846 ] [ 0.0482 0.5241 0.394445 ] [ 0.4759 0.5241 0.394445 ] ] } "species" { "source-value" [ "K" "Na" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.70349016976 "source-unit" "angstrom" } "c" { "source-value" 7.29443079 "source-unit" "angstrom" } }