{ "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" [ [ 0.820379 0.107839 0.275874 ] [ 0.752729 0.61368 0.866147 ] [ 0.179621 0.607839 0.724126 ] [ 0.967962 0.75 0.464969 ] [ 0.983072 0.25 0.036706 ] [ 0.290749 0.392047 0.433508 ] [ 0.290749 0.107953 0.433508 ] [ 0.179621 0.892161 0.724126 ] [ 0.247271 0.11368 0.133853 ] [ 0.247271 0.38632 0.133853 ] [ 0.709251 0.607953 0.566492 ] [ 0.032038 0.25 0.535031 ] [ 0.820379 0.392161 0.275874 ] [ 0.016928 0.75 0.963294 ] [ 0.709251 0.892047 0.566492 ] [ 0.752729 0.88632 0.866147 ] [ 0.956441 0.25 0.282598 ] [ 0.043559 0.75 0.717402 ] [ 0.845438 0.75 0.570542 ] [ 0.154562 0.25 0.429458 ] [ 0.382266 0.75 0.157653 ] [ 0.617734 0.25 0.842347 ] [ 0.121138 0.25 0.137792 ] [ 0.878862 0.75 0.862208 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "Br" "Br" "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" 4.71973178976 "source-unit" "angstrom" } "b" { "source-value" 6.28166898 "source-unit" "angstrom" } "c" { "source-value" 8.52901331585 "source-unit" "angstrom" } "beta" { "source-value" 93.3370799195 "source-unit" "degree" } }