{ "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" [ [ 0.5 0.5 0.18409 ] [ 0.5 0.5 0.81591 ] [ 0 0 0.68409 ] [ 0 0 0.31591 ] [ 0 0 0.800392 ] [ 0 0 0.199608 ] [ 0.5 0.5 0.300392 ] [ 0.5 0.5 0.699608 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.23539849338 "source-unit" "angstrom" } "c" { "source-value" 25.3983551514 "source-unit" "angstrom" } }