{ "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" [ [ 0.869092 0 0.651585 ] [ 0.130908 0 0.348415 ] [ 0.369092 0.5 0.651585 ] [ 0.630908 0.5 0.348415 ] [ 0.861279 0.5 0.150999 ] [ 0.138721 0.5 0.849001 ] [ 0.361279 0 0.150999 ] [ 0.638721 0 0.849001 ] [ 0.750881 0.5 0.781591 ] [ 0.249119 0.5 0.218409 ] [ 0.250881 0 0.781591 ] [ 0.749119 0 0.218409 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Tl" "Tl" "Tl" "Tl" "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" 13.136666982 "source-unit" "angstrom" } "b" { "source-value" 3.70559129941 "source-unit" "angstrom" } "c" { "source-value" 6.39049260347 "source-unit" "angstrom" } "beta" { "source-value" 106.992522394 "source-unit" "degree" } }