{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.833218 0 ] [ 0 0.166782 0 ] [ 0.5 0.333218 0 ] [ 0.5 0.666782 0 ] [ 0.760687 0.180703 0.232359 ] [ 0.760687 0.819297 0.232359 ] [ 0.789281 0 0.760755 ] [ 0.210719 0 0.239245 ] [ 0.239313 0.180703 0.767641 ] [ 0.239313 0.819297 0.767641 ] [ 0.260687 0.680703 0.232359 ] [ 0.260687 0.319297 0.232359 ] [ 0.289281 0.5 0.760755 ] [ 0.710719 0.5 0.239245 ] [ 0.739313 0.680703 0.767641 ] [ 0.739313 0.319297 0.767641 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.28198991 "source-unit" "angstrom" } "b" { "source-value" 12.55225452 "source-unit" "angstrom" } "c" { "source-value" 7.29921521 "source-unit" "angstrom" } "beta" { "source-value" 110.00479901 "source-unit" "degree" } }