{ "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 0.559192 0.833333 ] [ 0.559192 0 0.166667 ] [ 0.440808 0.440808 0.5 ] [ 0.907086 0.593812 0.072314 ] [ 0.686726 0.092914 0.405648 ] [ 0.406188 0.313274 0.738981 ] [ 0.092914 0.686726 0.594352 ] [ 0.593812 0.907086 0.927686 ] [ 0.313274 0.406188 0.261019 ] [ 0.721072 0 0.666667 ] [ 0 0.721072 0.333333 ] [ 0.278928 0.278928 0 ] [ 0.668984 0.763535 0.327584 ] [ 0.236465 0.905449 0.994251 ] [ 0.094551 0.331016 0.660917 ] [ 0.905449 0.236465 0.005749 ] [ 0.331016 0.094551 0.339083 ] [ 0.763535 0.668984 0.672416 ] [ 0.973014 0.499538 0.446691 ] [ 0.499538 0.973014 0.553309 ] [ 0.526524 0.026986 0.780024 ] [ 0.473476 0.500462 0.886643 ] [ 0.026986 0.526524 0.219976 ] [ 0.500462 0.473476 0.113357 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.74775742747 "source-unit" "angstrom" } "c" { "source-value" 16.95756394 "source-unit" "angstrom" } }