{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.736797 0.263203 0.867686 ] [ 0.263203 0.263203 0.132314 ] [ 0.736797 0.736797 0.132314 ] [ 0.263203 0.736797 0.867686 ] [ 0.236797 0.763203 0.367686 ] [ 0.763203 0.763203 0.632314 ] [ 0.236797 0.236797 0.632314 ] [ 0.763203 0.236797 0.367686 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "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" 5.41643346034 "source-unit" "angstrom" } "c" { "source-value" 10.8163481692 "source-unit" "angstrom" } }