{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.255874 ] [ 0.333333 0.666667 0.755874 ] [ 0 0 0.513926 ] [ 0 0 0.013926 ] [ 0.684911 0.842455 0.263367 ] [ 0.842455 0.157545 0.763367 ] [ 0.157545 0.842455 0.263367 ] [ 0.315089 0.157545 0.763367 ] [ 0.842455 0.684911 0.763367 ] [ 0.157545 0.315089 0.263367 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cr" "Cr" "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" } "a" { "source-value" 7.75990718981 "source-unit" "angstrom" } "c" { "source-value" 6.49263879 "source-unit" "angstrom" } }