{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.422013 0.212809 ] [ 0.75 0.754311 0.541685 ] [ 0.75 0.922013 0.287191 ] [ 0.25 0.077987 0.712809 ] [ 0.25 0.245689 0.458315 ] [ 0.75 0.254311 0.958315 ] [ 0.25 0.745689 0.041685 ] [ 0.25 0.577987 0.787191 ] [ 0.25 0.627874 0.365812 ] [ 0.75 0.872126 0.865812 ] [ 0.75 0.372126 0.634188 ] [ 0.25 0.127874 0.134188 ] [ 0.75 0.622931 0.927673 ] [ 0.25 0.685242 0.226032 ] [ 0.25 0.877069 0.427673 ] [ 0.25 0.500951 0.599992 ] [ 0.75 0.999049 0.099992 ] [ 0.75 0.814758 0.726032 ] [ 0.25 0.000951 0.900008 ] [ 0.75 0.499049 0.400008 ] [ 0.25 0.377069 0.072327 ] [ 0.25 0.185242 0.273968 ] [ 0.75 0.122931 0.572327 ] [ 0.75 0.314758 0.773968 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.72445282 "source-unit" "angstrom" } "b" { "source-value" 9.8565554 "source-unit" "angstrom" } "c" { "source-value" 19.16944615 "source-unit" "angstrom" } }