{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0.394133 0.394133 0.5 ] [ 0.605867 0 0.166667 ] [ 0 0.605867 0.833333 ] [ 0.883715 0.223255 0.543227 ] [ 0.223255 0.883715 0.456773 ] [ 0.116285 0.33954 0.12344 ] [ 0.776745 0.66046 0.209893 ] [ 0.33954 0.116285 0.87656 ] [ 0.66046 0.776745 0.790107 ] [ 0.863686 0.863686 0.5 ] [ 0.136314 0 0.166667 ] [ 0.485963 0.485963 0 ] [ 0 0.514037 0.333333 ] [ 0.514037 0 0.666667 ] [ 0 0.136314 0.833333 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "P" "P" "P" "P" "P" "P" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.6699542333 "source-unit" "angstrom" } "c" { "source-value" 7.10429223 "source-unit" "angstrom" } }