{ "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" [ [ 0.709109 0.25 0.964554 ] [ 0.290891 0.75 0.035446 ] [ 0.294234 0.75 0.616231 ] [ 0.705766 0.25 0.383769 ] [ 0.836183 0.75 0.211331 ] [ 0.163817 0.25 0.788669 ] [ 0.819421 0.75 0.699908 ] [ 0.180579 0.25 0.300092 ] [ 0.685813 0.75 0.172809 ] [ 0.314187 0.25 0.827191 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "H" "H" "Br" "Br" "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" 6.83196958654 "source-unit" "angstrom" } "b" { "source-value" 4.31704489 "source-unit" "angstrom" } "c" { "source-value" 8.59334791079 "source-unit" "angstrom" } "beta" { "source-value" 108.145036813 "source-unit" "degree" } }