{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0.75 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0.75 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.125 ] [ 0.5 0.75 0.875 ] [ 0.5 0.75 0.137953 ] [ 0 0.75 0.887953 ] [ 0.5 0.25 0.862047 ] [ 0 0.25 0.112047 ] [ 0 0.75 0.625 ] [ 0 0.25 0.375 ] [ 0 0.25 0.637953 ] [ 0.5 0.25 0.387953 ] [ 0 0.75 0.362047 ] [ 0.5 0.75 0.612047 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.90960525951 "source-unit" "angstrom" } "c" { "source-value" 9.83674647528 "source-unit" "angstrom" } }