{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.67269 0.17269 0.5 ] [ 0.17269 0.32731 0.5 ] [ 0.82731 0.67269 0.5 ] [ 0.32731 0.82731 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.12307 0.62307 0 ] [ 0.62307 0.87693 0 ] [ 0.37693 0.12307 0 ] [ 0.87693 0.37693 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.27664741 "source-unit" "angstrom" } "c" { "source-value" 3.7512642 "source-unit" "angstrom" } }