{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mcc" } "basis-atom-coordinates" { "source-value" [ [ 0.160955 0.653426 0.5 ] [ 0.653426 0.839045 0.5 ] [ 0.346574 0.160955 0.5 ] [ 0.839045 0.653426 0 ] [ 0.839045 0.346574 0.5 ] [ 0.346574 0.839045 0 ] [ 0.653426 0.160955 0 ] [ 0.160955 0.346574 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.5344767 "source-unit" "angstrom" } "c" { "source-value" 5.3458099 "source-unit" "angstrom" } }