{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.295928 0.75 0.012146 ] [ 0.9003 0.25 0.670892 ] [ 0.704072 0.25 0.987854 ] [ 0.295928 0.25 0.487854 ] [ 0.0997 0.75 0.329108 ] [ 0.0997 0.25 0.170892 ] [ 0.704072 0.75 0.512146 ] [ 0.9003 0.75 0.829108 ] [ 0.792101 0.75 0.110951 ] [ 0.792101 0.25 0.389049 ] [ 0.207899 0.25 0.889049 ] [ 0.207899 0.75 0.610951 ] [ 0.609714 0 0.25 ] [ 0.390286 0 0.75 ] [ 0.609714 0.5 0.25 ] [ 0.390286 0.5 0.75 ] [ 0.611178 0.516769 0.362494 ] [ 0.798051 0.25 0.503059 ] [ 0.388822 0.016769 0.637506 ] [ 0.089807 0.25 0.339053 ] [ 0.611178 0.983231 0.362494 ] [ 0.611178 0.483231 0.137506 ] [ 0.201949 0.25 0.003059 ] [ 0.910193 0.25 0.839053 ] [ 0.201949 0.75 0.496941 ] [ 0.388822 0.483231 0.637506 ] [ 0.611178 0.016769 0.137506 ] [ 0.388822 0.516769 0.862494 ] [ 0.910193 0.75 0.660947 ] [ 0.798051 0.75 0.996941 ] [ 0.089807 0.75 0.160947 ] [ 0.388822 0.983231 0.862494 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03085122 "source-unit" "angstrom" } "b" { "source-value" 7.40093514 "source-unit" "angstrom" } "c" { "source-value" 20.51561163 "source-unit" "angstrom" } }