{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0 ] [ 0.25 0 0.25 ] [ 0 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0.375 0.186291 0.375 ] [ 0.313709 0.125 0.625 ] [ 0.936291 0.125 0.625 ] [ 0.625 0.436291 0.625 ] [ 0.125 0.125 0.436291 ] [ 0.125 0.125 0.813709 ] [ 0.375 0.375 0.563709 ] [ 0.186291 0.375 0.375 ] [ 0.563709 0.375 0.375 ] [ 0.375 0.375 0.186291 ] [ 0.125 0.313709 0.625 ] [ 0.875 0.063709 0.375 ] [ 0.25 0.75 0.5 ] [ 0.25 0.5 0.75 ] [ 0 0.75 0.75 ] [ 0.5 0 0.5 ] [ 0.375 0.686291 0.875 ] [ 0.313709 0.625 0.125 ] [ 0.936291 0.625 0.125 ] [ 0.625 0.936291 0.125 ] [ 0.125 0.625 0.936291 ] [ 0.125 0.625 0.313709 ] [ 0.375 0.875 0.063709 ] [ 0.186291 0.875 0.875 ] [ 0.563709 0.875 0.875 ] [ 0.375 0.875 0.686291 ] [ 0.125 0.813709 0.125 ] [ 0.875 0.563709 0.875 ] [ 0.75 0.25 0.5 ] [ 0.75 0 0.75 ] [ 0.5 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0.875 0.186291 0.875 ] [ 0.813709 0.125 0.125 ] [ 0.436291 0.125 0.125 ] [ 0.125 0.436291 0.125 ] [ 0.625 0.125 0.936291 ] [ 0.625 0.125 0.313709 ] [ 0.875 0.375 0.063709 ] [ 0.686291 0.375 0.875 ] [ 0.063709 0.375 0.875 ] [ 0.875 0.375 0.686291 ] [ 0.625 0.313709 0.125 ] [ 0.375 0.063709 0.875 ] [ 0.75 0.75 0 ] [ 0.75 0.5 0.25 ] [ 0.5 0.75 0.25 ] [ 0 0 0 ] [ 0.875 0.686291 0.375 ] [ 0.813709 0.625 0.625 ] [ 0.436291 0.625 0.625 ] [ 0.125 0.936291 0.625 ] [ 0.625 0.625 0.436291 ] [ 0.625 0.625 0.813709 ] [ 0.875 0.875 0.563709 ] [ 0.686291 0.875 0.375 ] [ 0.063709 0.875 0.375 ] [ 0.875 0.875 0.186291 ] [ 0.625 0.813709 0.625 ] [ 0.375 0.563709 0.375 ] [ 0.034639 0.034639 0.215361 ] [ 0.965361 0.284639 0.465361 ] [ 0.784639 0.465361 0.465361 ] [ 0.284639 0.284639 0.784639 ] [ 0.715361 0.034639 0.534639 ] [ 0.215361 0.215361 0.215361 ] [ 0.534639 0.215361 0.534639 ] [ 0.465361 0.465361 0.784639 ] [ 0.034639 0.534639 0.715361 ] [ 0.965361 0.784639 0.965361 ] [ 0.784639 0.965361 0.965361 ] [ 0.284639 0.784639 0.284639 ] [ 0.715361 0.534639 0.034639 ] [ 0.215361 0.715361 0.715361 ] [ 0.534639 0.715361 0.034639 ] [ 0.465361 0.965361 0.284639 ] [ 0.534639 0.034639 0.715361 ] [ 0.465361 0.284639 0.965361 ] [ 0.284639 0.465361 0.965361 ] [ 0.784639 0.284639 0.284639 ] [ 0.215361 0.034639 0.034639 ] [ 0.715361 0.215361 0.715361 ] [ 0.034639 0.215361 0.034639 ] [ 0.965361 0.465361 0.284639 ] [ 0.534639 0.534639 0.215361 ] [ 0.465361 0.784639 0.465361 ] [ 0.284639 0.965361 0.465361 ] [ 0.784639 0.784639 0.784639 ] [ 0.215361 0.534639 0.534639 ] [ 0.715361 0.715361 0.215361 ] [ 0.034639 0.715361 0.534639 ] [ 0.965361 0.965361 0.784639 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.9926108681 "source-unit" "angstrom" } }