{ "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 0.344262 ] [ 0.5 0 0.096212 ] [ 0 0.5 0.903788 ] [ 0 0.5 0.655738 ] [ 0 0.5 0.207666 ] [ 0.5 0 0.792334 ] [ 0 0.5 0.424947 ] [ 0.5 0 0.575053 ] [ 0.5 0.5 0.230978 ] [ 0.5 0 0.925301 ] [ 0.5 0.5 0.769022 ] [ 0 0 0.230978 ] [ 0 0 0.769022 ] [ 0 0.5 0.074699 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Cl" "Cl" "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" 3.98693047502 "source-unit" "angstrom" } "c" { "source-value" 14.47780863 "source-unit" "angstrom" } }