{ "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 0.5 0.659766 ] [ 0.5 0 0.340234 ] [ 0.5 0 0.092109 ] [ 0 0.5 0.907891 ] [ 0 0.5 0.206536 ] [ 0.5 0 0.793464 ] [ 0.5 0 0.575725 ] [ 0 0.5 0.424275 ] [ 0 0 0.770013 ] [ 0.5 0.5 0.770013 ] [ 0 0 0.229987 ] [ 0.5 0 0.927728 ] [ 0.5 0.5 0.229987 ] [ 0 0.5 0.072272 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "Br" "Br" "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" 4.31416274 "source-unit" "angstrom" } "c" { "source-value" 15.73323406 "source-unit" "angstrom" } }