{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.398481 0.696207 0.62751 ] [ 0.101519 0.196207 0.37249 ] [ 0.898481 0.803793 0.62751 ] [ 0.601519 0.303793 0.37249 ] [ 0.194335 0.255362 0.8748 ] [ 0.694335 0.244638 0.8748 ] [ 0.305665 0.755362 0.1252 ] [ 0.805665 0.744638 0.1252 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.368714 0.092141 0.706207 ] [ 0.131286 0.592141 0.293793 ] [ 0.868714 0.407859 0.706207 ] [ 0.631286 0.907859 0.293793 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ba" "Ba" "Ba" "Ba" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.35450762 "source-unit" "angstrom" } "b" { "source-value" 6.92226276 "source-unit" "angstrom" } "c" { "source-value" 8.63430615 "source-unit" "angstrom" } "beta" { "source-value" 111.51804072 "source-unit" "degree" } }