{ "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" [ [ 0.151415 0.081732 0.145069 ] [ 0.848585 0.581732 0.354931 ] [ 0.848585 0.918268 0.854931 ] [ 0.151415 0.418268 0.645069 ] [ 0.653313 0.204609 0.480206 ] [ 0.346687 0.704609 0.019794 ] [ 0.346687 0.795391 0.519794 ] [ 0.653313 0.295391 0.980206 ] [ 0.374568 0.237659 0.393734 ] [ 0.625432 0.737659 0.106266 ] [ 0.625432 0.762341 0.606266 ] [ 0.374568 0.262341 0.893734 ] [ 0.723545 0.103058 0.418988 ] [ 0.276455 0.603058 0.081012 ] [ 0.276455 0.896942 0.581012 ] [ 0.723545 0.396942 0.918988 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "N" "N" "N" "N" "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" 4.66116671451 "source-unit" "angstrom" } "b" { "source-value" 10.74107024 "source-unit" "angstrom" } "c" { "source-value" 6.58884566043 "source-unit" "angstrom" } "beta" { "source-value" 109.738449383 "source-unit" "degree" } }