{ "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" [ [ 0.383346 0.75 0.223809 ] [ 0.616654 0.25 0.776191 ] [ 0.001236 0.75 0.746247 ] [ 0.998764 0.25 0.253753 ] [ 0.157003 0.982732 0.828795 ] [ 0.842997 0.482732 0.171205 ] [ 0.328487 0.25 0.388627 ] [ 0.671513 0.75 0.611373 ] [ 0.842997 0.017268 0.171205 ] [ 0.157003 0.517268 0.828795 ] ] } "species" { "source-value" [ "La" "La" "B" "B" "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" 4.18818543 "source-unit" "angstrom" } "b" { "source-value" 5.13066477 "source-unit" "angstrom" } "c" { "source-value" 6.42761677 "source-unit" "angstrom" } "beta" { "source-value" 108.31448852 "source-unit" "degree" } }