{ "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" [ [ 0.789605 0.25 0.547111 ] [ 0.210395 0.75 0.452889 ] [ 0.54972 0.75 0.849894 ] [ 0.45028 0.25 0.150106 ] [ 0.72014 0.75 0.268022 ] [ 0.27986 0.25 0.731978 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.301422 0.25 0.521634 ] [ 0.698578 0.75 0.478366 ] [ 0.552514 0.25 0.838872 ] [ 0.447486 0.75 0.161128 ] [ 0.114428 0.99612 0.77291 ] [ 0.885572 0.49612 0.22709 ] [ 0.114428 0.50388 0.77291 ] [ 0.885572 0.00388 0.22709 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "P" "P" "Au" "Au" "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" 6.62565432 "source-unit" "angstrom" } "b" { "source-value" 6.84239362 "source-unit" "angstrom" } "c" { "source-value" 9.55245397 "source-unit" "angstrom" } "beta" { "source-value" 92.27070462 "source-unit" "degree" } }