{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.784799 0.56572 0 ] [ 0.56572 0.215201 0.5 ] [ 0.43428 0.784799 0.5 ] [ 0.215201 0.43428 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.953765 0.32238 0 ] [ 0.32238 0.046235 0.5 ] [ 0.67762 0.953765 0.5 ] [ 0.046235 0.67762 0 ] [ 0.756917 0.882883 0 ] [ 0.882883 0.243083 0.5 ] [ 0.117117 0.756917 0.5 ] [ 0.243083 0.117117 0 ] [ 0.187958 0.412171 0.306022 ] [ 0.412171 0.812042 0.806022 ] [ 0.587829 0.187958 0.806022 ] [ 0.812042 0.587829 0.306022 ] [ 0.812042 0.587829 0.693978 ] [ 0.587829 0.187958 0.193978 ] [ 0.412171 0.812042 0.193978 ] [ 0.187958 0.412171 0.693978 ] ] } "species" { "source-value" [ "Sr" "Sr" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 6.96432173 "source-unit" "angstrom" } "c" { "source-value" 6.85824051 "source-unit" "angstrom" } }