{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.010801 0.5 ] [ 0.5 0.510801 0 ] [ 0 0.000062 0 ] [ 0.5 0.500062 0.5 ] [ 0 0.237912 0 ] [ 0.364701 0.371228 0.366255 ] [ 0.5 0.737912 0.5 ] [ 0.135299 0.871228 0.866255 ] [ 0.635299 0.371228 0.633745 ] [ 0.864701 0.871228 0.133745 ] ] } "species" { "source-value" [ "Ba" "Ba" "C" "C" "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" 4.48615537 "source-unit" "angstrom" } "b" { "source-value" 5.46667677 "source-unit" "angstrom" } "c" { "source-value" 7.06090775 "source-unit" "angstrom" } }