{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.133168 0.5 ] [ 0.5 0.133168 0 ] [ 0 0.866832 0.5 ] [ 0.5 0.866832 0 ] [ 0.5 0.633168 0.5 ] [ 0 0.633168 0 ] [ 0.5 0.366832 0.5 ] [ 0 0.366832 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.154558 0 ] [ 0 0.845442 0 ] [ 0.5 0.154558 0.5 ] [ 0.5 0.845442 0.5 ] [ 0.5 0.654558 0 ] [ 0.5 0.345442 0 ] [ 0 0.654558 0.5 ] [ 0 0.345442 0.5 ] [ 0.781401 0 0.21858 ] [ 0.218599 0 0.78142 ] [ 0.281401 0 0.28142 ] [ 0.718599 0 0.71858 ] [ 0.281401 0.5 0.21858 ] [ 0.718599 0.5 0.78142 ] [ 0.781401 0.5 0.28142 ] [ 0.218599 0.5 0.71858 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31412388138 "source-unit" "angstrom" } "b" { "source-value" 16.5645718473 "source-unit" "angstrom" } "c" { "source-value" 7.31605665 "source-unit" "angstrom" } }