{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.464207 0.75 ] [ 0 0.535793 0.25 ] [ 0.5 0.964207 0.75 ] [ 0.5 0.035793 0.25 ] [ 0.699723 0.173221 0.25 ] [ 0.699723 0.826779 0.75 ] [ 0.300277 0.173221 0.25 ] [ 0.300277 0.826779 0.75 ] [ 0.199723 0.673221 0.25 ] [ 0.199723 0.326779 0.75 ] [ 0.800277 0.673221 0.25 ] [ 0.800277 0.326779 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.48214235023 "source-unit" "angstrom" } "b" { "source-value" 6.67441256715 "source-unit" "angstrom" } "c" { "source-value" 8.01287653001 "source-unit" "angstrom" } }