{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.272624 0.733203 0.135319 ] [ 0.733203 0.727376 0.864681 ] [ 0.266797 0.272624 0.864681 ] [ 0.727376 0.266797 0.135319 ] [ 0.772624 0.233203 0.635319 ] [ 0.233203 0.227376 0.364681 ] [ 0.766797 0.772624 0.364681 ] [ 0.227376 0.766797 0.635319 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ga" "Ga" "Ga" "Ga" "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" 5.64579038879 "source-unit" "angstrom" } "c" { "source-value" 10.368819273 "source-unit" "angstrom" } }