{ "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 0.994914 0.177763 ] [ 0.25 0.005086 0.822237 ] [ 0.75 0.494914 0.322237 ] [ 0.25 0.505086 0.677763 ] [ 0.25 0.657765 0.088495 ] [ 0.75 0.842235 0.588495 ] [ 0.25 0.157765 0.411505 ] [ 0.75 0.342235 0.911505 ] [ 0.75 0.701161 0.904175 ] [ 0.25 0.798839 0.404175 ] [ 0.75 0.201161 0.595825 ] [ 0.25 0.298839 0.095825 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.98525374 "source-unit" "angstrom" } "b" { "source-value" 8.52163515 "source-unit" "angstrom" } "c" { "source-value" 8.53761056 "source-unit" "angstrom" } }