{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.98959 0.515271 0.227788 ] [ 0.98959 0.484729 0.727788 ] [ 0.48959 0.015271 0.227788 ] [ 0.48959 0.984729 0.727788 ] [ 0.937451 0.643532 0.506988 ] [ 0.083595 0.21245 0.797236 ] [ 0.937451 0.356468 0.006988 ] [ 0.083595 0.78755 0.297236 ] [ 0.437451 0.143532 0.506988 ] [ 0.583595 0.71245 0.797236 ] [ 0.437451 0.856468 0.006988 ] [ 0.583595 0.28755 0.297236 ] [ 0.231764 0.649097 0.089188 ] [ 0.731764 0.850903 0.589188 ] [ 0.731764 0.149097 0.089188 ] [ 0.231764 0.350903 0.589188 ] ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.1482888206 "source-unit" "angstrom" } "b" { "source-value" 5.37657500047 "source-unit" "angstrom" } "c" { "source-value" 8.5320809603 "source-unit" "angstrom" } "beta" { "source-value" 147.84387068 "source-unit" "degree" } }