{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.257053 ] [ 0 0.5 0.742947 ] [ 0 0.5 0.128139 ] [ 0.5 0 0.871861 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.37381 ] [ 0.5 0 0.62619 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "La" "La" "Si" "Si" "Si" "Si" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22363978 "source-unit" "angstrom" } "c" { "source-value" 10.00199575 "source-unit" "angstrom" } }