{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.804233 0.553571 0.184581 ] [ 0.804233 0.946429 0.684581 ] [ 0.195767 0.053571 0.315419 ] [ 0.195767 0.446429 0.815419 ] [ 0.570656 0.407933 0.553587 ] [ 0.429344 0.907933 0.946413 ] [ 0.429344 0.592067 0.446413 ] [ 0.570656 0.092067 0.053587 ] [ 0.48885 0.249052 0.633039 ] [ 0.755943 0.072765 0.053427 ] [ 0.51115 0.750948 0.366961 ] [ 0.51115 0.749052 0.866961 ] [ 0.244057 0.572765 0.446573 ] [ 0.244057 0.927235 0.946573 ] [ 0.48885 0.250948 0.133039 ] [ 0.755943 0.427235 0.553427 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "C" "C" "C" "C" "O" "O" "O" "O" "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" 6.81176622764 "source-unit" "angstrom" } "b" { "source-value" 6.00621334 "source-unit" "angstrom" } "c" { "source-value" 6.94169127785 "source-unit" "angstrom" } "beta" { "source-value" 99.4757110156 "source-unit" "degree" } }