{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.80002 0.60004 0.5 ] [ 0.073818 0.536909 0 ] [ 0.463091 0.926182 0 ] [ 0.80002 0.19998 0.5 ] [ 0.463091 0.536909 0 ] [ 0.39996 0.19998 0.5 ] [ 0.666667 0.333333 0 ] [ 0.187904 0.812096 0.5 ] [ 0.187904 0.375809 0.5 ] [ 0.624191 0.812096 0.5 ] ] } "species" { "source-value" [ "U" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03065723777 "source-unit" "angstrom" } "c" { "source-value" 3.33195783 "source-unit" "angstrom" } }