{ "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 0.420759 0.212618 ] [ 0.25 0.579241 0.787382 ] [ 0.75 0.920759 0.287382 ] [ 0.25 0.079241 0.712618 ] [ 0.75 0.74468 0.541822 ] [ 0.25 0.25532 0.458178 ] [ 0.75 0.24468 0.958178 ] [ 0.25 0.75532 0.041822 ] [ 0.75 0.862279 0.864098 ] [ 0.25 0.137721 0.135902 ] [ 0.75 0.362279 0.635902 ] [ 0.25 0.637721 0.364098 ] [ 0.75 0.814975 0.724634 ] [ 0.25 0.185025 0.275366 ] [ 0.75 0.314975 0.775366 ] [ 0.25 0.685025 0.224634 ] [ 0.75 0.622499 0.929335 ] [ 0.25 0.377501 0.070665 ] [ 0.75 0.122499 0.570665 ] [ 0.25 0.877501 0.429335 ] [ 0.75 0.505632 0.397041 ] [ 0.25 0.494368 0.602959 ] [ 0.75 0.005632 0.102959 ] [ 0.25 0.994368 0.897041 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.98677123 "source-unit" "angstrom" } "b" { "source-value" 10.5536074 "source-unit" "angstrom" } "c" { "source-value" 20.38396329 "source-unit" "angstrom" } }