{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_422" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.333333 ] [ 0.5 0.5 0.666667 ] [ 0.5 0 0 ] [ 0.833839 0.667678 0 ] [ 0.166161 0.833839 0.666667 ] [ 0.667678 0.833839 0.333333 ] [ 0.166161 0.332322 0 ] [ 0.833839 0.166161 0.666667 ] [ 0.332322 0.166161 0.333333 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.40703067821 "source-unit" "angstrom" } "c" { "source-value" 6.36568656 "source-unit" "angstrom" } }