{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.853557 0.75 0.707429 ] [ 0.146443 0.25 0.292571 ] [ 0.631005 0.25 0.941601 ] [ 0.368995 0.75 0.058399 ] [ 0.266382 0.25 0.836777 ] [ 0.733618 0.75 0.163223 ] [ 0.649903 0.25 0.382892 ] [ 0.350097 0.75 0.617108 ] [ 0.787233 0.25 0.943845 ] [ 0.212767 0.75 0.056155 ] [ 0.168885 0.25 0.694413 ] [ 0.831115 0.75 0.305587 ] ] } "species" { "source-value" [ "Ba" "Ba" "H" "H" "H" "H" "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" 6.24527424575 "source-unit" "angstrom" } "b" { "source-value" 4.01011244 "source-unit" "angstrom" } "c" { "source-value" 6.97928845343 "source-unit" "angstrom" } "beta" { "source-value" 109.216870609 "source-unit" "degree" } }