{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.063259 ] [ 0.666667 0.333333 0.563259 ] [ 0.333333 0.666667 0.436741 ] [ 0.666667 0.333333 0.936741 ] [ 0.333333 0.666667 0.826004 ] [ 0.666667 0.333333 0.326004 ] [ 0.666667 0.333333 0.173996 ] [ 0.333333 0.666667 0.673996 ] [ 0.82441 0.17559 0.405531 ] [ 0.82441 0.648819 0.405531 ] [ 0.351181 0.17559 0.405531 ] [ 0.648819 0.82441 0.905531 ] [ 0.17559 0.351181 0.594469 ] [ 0.17559 0.82441 0.905531 ] [ 0.17559 0.351181 0.905531 ] [ 0.82441 0.17559 0.094469 ] [ 0.351181 0.17559 0.094469 ] [ 0.648819 0.82441 0.594469 ] [ 0.501716 0.003432 0.25 ] [ 0.498284 0.501716 0.75 ] [ 0.003432 0.501716 0.75 ] [ 0.996568 0.498284 0.25 ] [ 0.501716 0.498284 0.25 ] [ 0.498284 0.996568 0.75 ] [ 0.82441 0.648819 0.094469 ] [ 0.17559 0.82441 0.594469 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mo" "Mo" "Mo" "Mo" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.71210696757 "source-unit" "angstrom" } "c" { "source-value" 18.79970583 "source-unit" "angstrom" } }