{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.41068 0.877498 ] [ 0.58932 0.58932 0.877498 ] [ 0.58932 0 0.122502 ] [ 0.41068 0 0.622502 ] [ 0.41068 0.41068 0.377498 ] [ 0.58932 0 0.377498 ] [ 0.41068 0.41068 0.122502 ] [ 0 0.58932 0.122502 ] [ 0 0.41068 0.622502 ] [ 0.58932 0.58932 0.622502 ] [ 0.41068 0 0.877498 ] [ 0 0.58932 0.377498 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.702873 0 0.75 ] [ 0.297127 0.297127 0.75 ] [ 0.297127 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.702873 0.702873 0.25 ] [ 0 0.297127 0.25 ] [ 0 0.702873 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33371469977 "source-unit" "angstrom" } "c" { "source-value" 12.22858604 "source-unit" "angstrom" } }