{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.485215 ] [ 0.333333 0.666667 0.514785 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.142086 ] [ 0.333333 0.666667 0.857914 ] [ 0.342509 0.171255 0.690579 ] [ 0.828745 0.657491 0.690579 ] [ 0.657491 0.828745 0.309421 ] [ 0.171255 0.342509 0.309421 ] [ 0.171255 0.828745 0.309421 ] [ 0.828745 0.171255 0.690579 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.79893713135 "source-unit" "angstrom" } "c" { "source-value" 7.25730331 "source-unit" "angstrom" } }