{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.873733 0.626267 0 ] [ 0.373733 0.873733 0 ] [ 0.126267 0.373733 0 ] [ 0.126267 0.626267 0.5 ] [ 0.373733 0.126267 0.5 ] [ 0.873733 0.373733 0.5 ] [ 0.626267 0.873733 0.5 ] [ 0.626267 0.126267 0 ] [ 0.33058 0.83058 0.5 ] [ 0.33058 0.16942 0 ] [ 0.66942 0.83058 0 ] [ 0.16942 0.66942 0 ] [ 0.83058 0.33058 0 ] [ 0.83058 0.66942 0.5 ] [ 0.16942 0.33058 0.5 ] [ 0.66942 0.16942 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.55761152393 "source-unit" "angstrom" } "c" { "source-value" 6.9133576799 "source-unit" "angstrom" } }