{ "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 0.751848 0.75 ] [ 0 0.248152 0.25 ] [ 0.5 0.072174 0.25 ] [ 0.5 0.927826 0.75 ] [ 0.5 0.251848 0.75 ] [ 0.5 0.748152 0.25 ] [ 0 0.572174 0.25 ] [ 0 0.427826 0.75 ] [ 0 0.093171 0.75 ] [ 0 0.906829 0.25 ] [ 0.5 0.593171 0.75 ] [ 0.5 0.406829 0.25 ] [ 0.233722 0.119765 0.531285 ] [ 0.233722 0.880235 0.468715 ] [ 0.766278 0.880235 0.031285 ] [ 0.766278 0.119765 0.968715 ] [ 0.766278 0.880235 0.468715 ] [ 0.766278 0.119765 0.531285 ] [ 0 0.765466 0.25 ] [ 0 0.234534 0.75 ] [ 0.233722 0.880235 0.031285 ] [ 0.233722 0.119765 0.968715 ] [ 0.733722 0.619765 0.531285 ] [ 0.733722 0.380235 0.468715 ] [ 0.266278 0.380235 0.031285 ] [ 0.266278 0.619765 0.968715 ] [ 0.266278 0.380235 0.468715 ] [ 0.266278 0.619765 0.531285 ] [ 0.5 0.265466 0.25 ] [ 0.5 0.734534 0.75 ] [ 0.733722 0.380235 0.031285 ] [ 0.733722 0.619765 0.968715 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40087316296 "source-unit" "angstrom" } "b" { "source-value" 14.0627589007 "source-unit" "angstrom" } "c" { "source-value" 6.6346689 "source-unit" "angstrom" } }