{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.622526 0.321902 0.50704 ] [ 0.377474 0.821902 0.49296 ] [ 0.877474 0.321902 0.00704 ] [ 0.122526 0.821902 0.99296 ] [ 0.071905 0.50311 0.215799 ] [ 0.928095 0.00311 0.784201 ] [ 0.428095 0.50311 0.715799 ] [ 0.571905 0.00311 0.284201 ] [ 0.307682 0.696888 0.144791 ] [ 0.692318 0.196888 0.855209 ] [ 0.192318 0.696888 0.644791 ] [ 0.807682 0.196888 0.355209 ] ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 4.34793175 "source-unit" "angstrom" } "b" { "source-value" 7.08528976 "source-unit" "angstrom" } "c" { "source-value" 10.40958042 "source-unit" "angstrom" } }