{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.011216 0.5 0.652403 ] [ 0.988784 0.5 0.347597 ] [ 0.637929 0.5 0.623425 ] [ 0.362071 0.5 0.376575 ] [ 0 0 0 ] [ 0.511216 0 0.652403 ] [ 0.488784 0 0.347597 ] [ 0.137929 0 0.623425 ] [ 0.862071 0 0.376575 ] [ 0.5 0.5 0 ] [ 0.198016 0 0.230452 ] [ 0.801984 0 0.769548 ] [ 0.871305 0 0.574358 ] [ 0.128695 0 0.425642 ] [ 0.030827 0.5 0.897559 ] [ 0.840963 0 0.168345 ] [ 0.159037 0 0.831655 ] [ 0.969173 0.5 0.102441 ] [ 0.698016 0.5 0.230452 ] [ 0.301984 0.5 0.769548 ] [ 0.371305 0.5 0.574358 ] [ 0.628695 0.5 0.425642 ] [ 0.530827 0 0.897559 ] [ 0.340963 0.5 0.168345 ] [ 0.659037 0.5 0.831655 ] [ 0.469173 0 0.102441 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Br" "Br" "Br" "Br" "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" 20.3524539475 "source-unit" "angstrom" } "b" { "source-value" 3.94262092368 "source-unit" "angstrom" } "c" { "source-value" 15.2230066237 "source-unit" "angstrom" } "beta" { "source-value" 136.1045375 "source-unit" "degree" } }