{ "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" [ [ 0.178226 0.367583 0.926413 ] [ 0.821774 0.867583 0.573587 ] [ 0.178226 0.132417 0.426413 ] [ 0.821774 0.632417 0.073587 ] [ 0.337181 0.607709 0.575958 ] [ 0.337181 0.892291 0.075958 ] [ 0.662819 0.107709 0.924042 ] [ 0.662819 0.392291 0.424042 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.417113 0.858344 0.79404 ] [ 0.582887 0.358344 0.70596 ] [ 0.417113 0.641656 0.29404 ] [ 0.582887 0.141656 0.20596 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mg" "Mg" "Mg" "Mg" "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" 5.95110934 "source-unit" "angstrom" } "b" { "source-value" 6.30246551 "source-unit" "angstrom" } "c" { "source-value" 6.38588612 "source-unit" "angstrom" } "beta" { "source-value" 114.06430659 "source-unit" "degree" } }