{ "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" [ [ 0.580869 0.75 0.714452 ] [ 0.419131 0.25 0.285548 ] [ 0.960369 0.75 0.395711 ] [ 0.039631 0.25 0.604289 ] [ 0.168539 0.75 0.977594 ] [ 0.831461 0.25 0.022406 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23917223735 "source-unit" "angstrom" } "b" { "source-value" 4.48380601 "source-unit" "angstrom" } "c" { "source-value" 9.52723811327 "source-unit" "angstrom" } "beta" { "source-value" 101.645910276 "source-unit" "degree" } }