{ "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" [ [ 0.333333 0.666667 0.844043 ] [ 0 0 0.094601 ] [ 0.666667 0.333333 0.155957 ] [ 0 0 0.905399 ] [ 0 0 0.594601 ] [ 0 0 0.405399 ] [ 0.666667 0.333333 0.344043 ] [ 0.333333 0.666667 0.655957 ] [ 0.5 0 0 ] [ 0.83462 0.16538 0.75 ] [ 0.666667 0.333333 0.876528 ] [ 0.16538 0.33076 0.25 ] [ 0.33076 0.16538 0.75 ] [ 0.83462 0.66924 0.75 ] [ 0 0.5 0 ] [ 0.66924 0.83462 0.25 ] [ 0.5 0 0.5 ] [ 0.16538 0.83462 0.25 ] [ 0.333333 0.666667 0.123472 ] [ 0.5 0.5 0 ] [ 0.666667 0.333333 0.623472 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.376528 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "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" 5.0726686295 "source-unit" "angstrom" } "c" { "source-value" 16.37997913 "source-unit" "angstrom" } }