{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.759357 0.25 ] [ 0 0.240643 0.75 ] [ 0.5 0.259357 0.25 ] [ 0.5 0.740643 0.75 ] [ 0 0.158281 0.068422 ] [ 0 0.841719 0.931578 ] [ 0.5 0.099595 0.75 ] [ 0.5 0.900405 0.25 ] [ 0 0.158281 0.431578 ] [ 0 0.841719 0.568422 ] [ 0.5 0.658281 0.068422 ] [ 0.5 0.341719 0.931578 ] [ 0 0.599595 0.75 ] [ 0 0.400405 0.25 ] [ 0.5 0.658281 0.431578 ] [ 0.5 0.341719 0.568422 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.82281334 "source-unit" "angstrom" } "b" { "source-value" 13.23326136 "source-unit" "angstrom" } "c" { "source-value" 8.57883458 "source-unit" "angstrom" } }