{ "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 0.859852 ] [ 0.5 0.5 0.140148 ] [ 0 0 0.359852 ] [ 0 0 0.640148 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.156695 ] [ 0 0.5 0 ] [ 0 0 0.843305 ] [ 0.5 0 0 ] [ 0.5 0.5 0.656695 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.343305 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.40936851372 "source-unit" "angstrom" } "c" { "source-value" 17.1342187904 "source-unit" "angstrom" } }