{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.731542 0.843335 ] [ 0.231542 0 0.343335 ] [ 0.768458 0 0.343335 ] [ 0.5 0.268458 0.843335 ] [ 0 0.231542 0.656665 ] [ 0.731542 0.5 0.156665 ] [ 0.268458 0.5 0.156665 ] [ 0 0.768458 0.656665 ] [ 0.203329 0.796671 0 ] [ 0.796671 0.796671 0 ] [ 0.5 0 0.111456 ] [ 0.5 0 0.611456 ] [ 0.796671 0.203329 0 ] [ 0.203329 0.203329 0 ] [ 0.296671 0.296671 0.5 ] [ 0.703329 0.296671 0.5 ] [ 0 0.5 0.388544 ] [ 0 0.5 0.888544 ] [ 0.296671 0.703329 0.5 ] [ 0.703329 0.703329 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 9.74649722 "source-unit" "angstrom" } "c" { "source-value" 7.35794347 "source-unit" "angstrom" } }