{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.761168 ] [ 0 0.5 0.738832 ] [ 0.5 0 0.238832 ] [ 0 0.5 0.261168 ] [ 0.307891 0.439491 0 ] [ 0.179157 0.796323 0 ] [ 0.203677 0.179157 0.5 ] [ 0.820843 0.203677 0 ] [ 0.560509 0.307891 0.5 ] [ 0.439491 0.692109 0.5 ] [ 0.692109 0.560509 0 ] [ 0.796323 0.820843 0.5 ] [ 0.106368 0.383877 0.5 ] [ 0.907299 0.633565 0 ] [ 0.383877 0.893632 0 ] [ 0.622964 0.765369 0.700917 ] [ 0.622964 0.765369 0.299083 ] [ 0.092701 0.366435 0 ] [ 0.366435 0.907299 0.5 ] [ 0.377037 0.234631 0.299083 ] [ 0.377037 0.234631 0.700917 ] [ 0.765369 0.377037 0.200917 ] [ 0.893632 0.616123 0.5 ] [ 0.234631 0.622964 0.200917 ] [ 0.765369 0.377037 0.799083 ] [ 0.633565 0.092701 0.5 ] [ 0.616123 0.106368 0 ] [ 0.234631 0.622964 0.799083 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.56052908 "source-unit" "angstrom" } "c" { "source-value" 6.62232818 "source-unit" "angstrom" } }