{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.833503 0.25 0.986494 ] [ 0.166497 0.75 0.013506 ] [ 0.718238 0.54881 0.32969 ] [ 0.281762 0.04881 0.67031 ] [ 0.281762 0.45119 0.67031 ] [ 0.718238 0.95119 0.32969 ] [ 0.388709 0.25 0.258809 ] [ 0.611291 0.75 0.741191 ] [ 0.66809 0.25 0.428693 ] [ 0.33191 0.75 0.571307 ] [ 0.250844 0.090686 0.175794 ] [ 0.749156 0.590686 0.824206 ] [ 0.749156 0.909314 0.824206 ] [ 0.250844 0.409314 0.175794 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "B" "B" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.72323159201 "source-unit" "angstrom" } "b" { "source-value" 9.98857683 "source-unit" "angstrom" } "c" { "source-value" 6.74162162891 "source-unit" "angstrom" } "beta" { "source-value" 98.3119365956 "source-unit" "degree" } }