{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.879937 ] [ 0 0 0.120063 ] [ 0.5 0.5 0.379937 ] [ 0.5 0.5 0.620063 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.823281 ] [ 0.5 0.5 0.176719 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.323281 ] [ 0 0 0.676719 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63551758515 "source-unit" "angstrom" } "c" { "source-value" 22.5968810551 "source-unit" "angstrom" } }