{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.211549 0.75 ] [ 0 0.788451 0.25 ] [ 0.5 0.711549 0.75 ] [ 0.5 0.288451 0.25 ] [ 0.296755 0.148256 0.54592 ] [ 0.703245 0.148256 0.95408 ] [ 0.296755 0.851744 0.04592 ] [ 0.703245 0.851744 0.45408 ] [ 0.796755 0.648256 0.54592 ] [ 0.203245 0.648256 0.95408 ] [ 0.796755 0.351744 0.04592 ] [ 0.203245 0.351744 0.45408 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.26094389358 "source-unit" "angstrom" } "b" { "source-value" 4.48389554068 "source-unit" "angstrom" } "c" { "source-value" 7.33778643773 "source-unit" "angstrom" } "beta" { "source-value" 105.077140527 "source-unit" "degree" } }