{ "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" [ [ 0.828796 0.328796 0.5 ] [ 0.328796 0.171204 0.5 ] [ 0.671204 0.828796 0.5 ] [ 0.171204 0.671204 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.378388 0.878388 0 ] [ 0.878388 0.621612 0 ] [ 0.621612 0.121612 0 ] [ 0.121612 0.378388 0 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68482779 "source-unit" "angstrom" } "c" { "source-value" 3.67632884 "source-unit" "angstrom" } }