{ "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 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.321544 ] [ 0.5 0 0.678456 ] [ 0.5 0 0.276022 ] [ 0 0.5 0.723978 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.959592 ] [ 0.265498 0.234502 0.811873 ] [ 0.234502 0.265498 0.188127 ] [ 0.5 0 0.040408 ] [ 0.734502 0.765498 0.811873 ] [ 0.234502 0.734502 0.188127 ] [ 0.265498 0.765498 0.811873 ] [ 0.734502 0.234502 0.811873 ] [ 0.765498 0.265498 0.188127 ] [ 0.765498 0.734502 0.188127 ] ] } "species" { "source-value" [ "Ba" "Ba" "Pb" "Pb" "Pb" "Pb" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "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" 6.04260168 "source-unit" "angstrom" } "c" { "source-value" 9.87400176 "source-unit" "angstrom" } }