{ "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 0.289027 ] [ 0 0.5 0.04338 ] [ 0 0.5 0.710973 ] [ 0.5 0 0.95662 ] [ 0.5 0 0.788611 ] [ 0 0.5 0.375294 ] [ 0.5 0 0.624706 ] [ 0 0.5 0.211389 ] [ 0.5 0 0.44531 ] [ 0.5 0 0.108678 ] [ 0 0.5 0.55469 ] [ 0 0.5 0.891322 ] [ 0 0.5 0.280317 ] [ 0.5 0.5 0.655216 ] [ 0.5 0.5 0.344784 ] [ 0 0 0.772955 ] [ 0.5 0.5 0.772955 ] [ 0.5 0 0.719683 ] [ 0 0 0.655216 ] [ 0 0 0.344784 ] [ 0 0 0 ] [ 0.5 0.5 0.227045 ] [ 0.5 0.5 0 ] [ 0 0 0.227045 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "I" "I" "I" "I" "O" "O" "O" "O" "O" "O" "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" 3.98117978 "source-unit" "angstrom" } "c" { "source-value" 28.97097015 "source-unit" "angstrom" } }