{ "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" [ [ 0.659965 0.988102 0.205775 ] [ 0.659965 0.511898 0.705775 ] [ 0.340035 0.488102 0.294225 ] [ 0.340035 0.011898 0.794225 ] [ 0.649506 0.321886 0.059639 ] [ 0.350494 0.821886 0.440361 ] [ 0.649506 0.178114 0.559639 ] [ 0.864722 0.795718 0.909501 ] [ 0.135278 0.204282 0.090499 ] [ 0.135278 0.295718 0.590499 ] [ 0.864722 0.704282 0.409501 ] [ 0.350494 0.678114 0.940361 ] [ 0.382268 0.873845 0.992031 ] [ 0.678091 0.853781 0.408784 ] [ 0.506423 0.108729 0.322347 ] [ 0.137819 0.133924 0.853761 ] [ 0.137819 0.366076 0.353761 ] [ 0.506423 0.391271 0.822347 ] [ 0.862181 0.633924 0.646239 ] [ 0.493577 0.608729 0.177653 ] [ 0.862181 0.866076 0.146239 ] [ 0.321909 0.146219 0.591216 ] [ 0.900132 0.181729 0.46854 ] [ 0.099868 0.818271 0.53146 ] [ 0.099868 0.681729 0.03146 ] [ 0.382268 0.626155 0.492031 ] [ 0.321909 0.353781 0.091216 ] [ 0.678091 0.646219 0.908784 ] [ 0.493577 0.891271 0.677653 ] [ 0.617732 0.373845 0.507969 ] [ 0.900132 0.318271 0.96854 ] [ 0.617732 0.126155 0.007969 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.9746189552 "source-unit" "angstrom" } "b" { "source-value" 9.50223988 "source-unit" "angstrom" } "c" { "source-value" 7.65295098329 "source-unit" "angstrom" } "beta" { "source-value" 107.710144984 "source-unit" "degree" } }