{ "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" [ [ 0.682645 0.75 0.763893 ] [ 0.317355 0.25 0.236107 ] [ 0.359127 0.25 0.620714 ] [ 0.051831 0.75 0.354161 ] [ 0.152714 0.25 0.634198 ] [ 0.948169 0.25 0.645839 ] [ 0.847286 0.75 0.365802 ] [ 0.640873 0.75 0.379286 ] [ 0.237461 0.75 0.948308 ] [ 0.762539 0.25 0.051692 ] ] } "species" { "source-value" [ "Ba" "Ba" "N" "N" "N" "N" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65228044874 "source-unit" "angstrom" } "b" { "source-value" 4.58402554 "source-unit" "angstrom" } "c" { "source-value" 7.96433244301 "source-unit" "angstrom" } "beta" { "source-value" 101.620508918 "source-unit" "degree" } }