{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.347804 0.25 ] [ 0 0.652196 0.75 ] [ 0.5 0.847804 0.25 ] [ 0.5 0.152196 0.75 ] [ 0.87608 0 0.5 ] [ 0.12392 0 0 ] [ 0.87608 0 0 ] [ 0.12392 0 0.5 ] [ 0.37608 0.5 0.5 ] [ 0.62392 0.5 0 ] [ 0.37608 0.5 0 ] [ 0.62392 0.5 0.5 ] [ 0 0.133728 0.75 ] [ 0 0.866272 0.25 ] [ 0.741289 0.878141 0.75 ] [ 0.258711 0.121859 0.25 ] [ 0.741289 0.121859 0.25 ] [ 0.258711 0.878141 0.75 ] [ 0.5 0.633728 0.75 ] [ 0.5 0.366272 0.25 ] [ 0.241289 0.378141 0.75 ] [ 0.758711 0.621859 0.25 ] [ 0.241289 0.621859 0.25 ] [ 0.758711 0.378141 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2588257087 "source-unit" "angstrom" } "b" { "source-value" 13.39389743 "source-unit" "angstrom" } "c" { "source-value" 5.61440864 "source-unit" "angstrom" } }