{ "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" [ [ 0.140136 0 0.051771 ] [ 0.859864 0 0.948229 ] [ 0.640136 0.5 0.051771 ] [ 0.359864 0.5 0.948229 ] [ 0.089582 0.5 0.638683 ] [ 0.187054 0.5 0.418371 ] [ 0.941114 0 0.597026 ] [ 0.058886 0 0.402974 ] [ 0.812946 0.5 0.581629 ] [ 0.910418 0.5 0.361317 ] [ 0.589582 0 0.638683 ] [ 0.687054 0 0.418371 ] [ 0.441114 0.5 0.597026 ] [ 0.558886 0.5 0.402974 ] [ 0.312946 0 0.581629 ] [ 0.410418 0 0.361317 ] [ 0.023244 0.5 0.231065 ] [ 0.976756 0.5 0.768935 ] [ 0.186522 0 0.671644 ] [ 0.813478 0 0.328356 ] [ 0.523244 0 0.231065 ] [ 0.476756 0 0.768935 ] [ 0.686522 0.5 0.671644 ] [ 0.313478 0.5 0.328356 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "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" 14.5290787741 "source-unit" "angstrom" } "b" { "source-value" 3.84397527 "source-unit" "angstrom" } "c" { "source-value" 8.427917213 "source-unit" "angstrom" } "beta" { "source-value" 111.485917579 "source-unit" "degree" } }