{ "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" [ [ 0.280353 0.39073 0.746065 ] [ 0.719647 0.60927 0.253935 ] [ 0.280353 0.10927 0.246065 ] [ 0.719647 0.89073 0.753935 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.136439 0.466538 0.261763 ] [ 0.779596 0.191982 0.941152 ] [ 0.389183 0.173164 0.562317 ] [ 0.610817 0.673164 0.937683 ] [ 0.220404 0.691982 0.558848 ] [ 0.863561 0.966538 0.238237 ] [ 0.136439 0.033462 0.761763 ] [ 0.779596 0.308018 0.441152 ] [ 0.389183 0.326836 0.062317 ] [ 0.610817 0.826836 0.437683 ] [ 0.220404 0.808018 0.058848 ] [ 0.863561 0.533462 0.738237 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.93930891 "source-unit" "angstrom" } "b" { "source-value" 9.08331753 "source-unit" "angstrom" } "c" { "source-value" 13.63796525 "source-unit" "angstrom" } "beta" { "source-value" 124.41235777 "source-unit" "degree" } }