{ "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 0.897998 ] [ 0.5 0 0.102002 ] [ 0 0.5 0.62053 ] [ 0.5 0 0.37947 ] [ 0.5 0 0.768019 ] [ 0 0.5 0.231981 ] [ 0.5 0.5 0.258374 ] [ 0 0 0.258374 ] [ 0.5 0 0.918579 ] [ 0 0.5 0.081421 ] [ 0 0 0.741626 ] [ 0.5 0.5 0.741626 ] [ 0 0.5 0.427834 ] [ 0.5 0 0.572166 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2290994 "source-unit" "angstrom" } "c" { "source-value" 14.17652216 "source-unit" "angstrom" } }