{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.650675 0.005509 0.658178 ] [ 0.808724 0.328615 0.959782 ] [ 0.951609 0.625555 0.297696 ] [ 0.640347 0.48395 0.647468 ] [ 0.473635 0.138202 0.299517 ] [ 0.445866 0.62578 0.34389 ] [ 0.299014 0.29732 0.007321 ] [ 0.245766 0.574034 0.738828 ] [ 0.343669 0.824468 0.026767 ] [ 0.953342 0.10687 0.330301 ] [ 0.784092 0.80572 0.993567 ] [ 0.147132 0.100736 0.602702 ] [ 0.861439 0.256654 0.269381 ] [ 0.768001 0.301814 0.72222 ] [ 0.646874 0.575172 0.921522 ] [ 0.634831 0.477146 0.353047 ] [ 0.491602 0.157147 0.04778 ] [ 0.3749 0.130758 0.545798 ] [ 0.693726 0.807622 0.145089 ] [ 0.539492 0.703906 0.594419 ] [ 0.158125 0.153588 0.233983 ] [ 0.21953 0.258854 0.735816 ] [ 0.101912 0.263784 0.476607 ] [ 0.164536 0.496274 0.963987 ] [ 0.283037 0.783985 0.26844 ] [ 0.743918 0.971589 0.902512 ] [ 0.101352 0.598734 0.527924 ] [ 0.088815 0.773126 0.711306 ] [ 0.031248 0.721455 0.576603 ] [ 0.030792 0.866631 0.999849 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.42760306 "source-unit" "angstrom" } "b" { "source-value" 7.55450193 "source-unit" "angstrom" } "c" { "source-value" 10.11900228 "source-unit" "angstrom" } "alpha" { "source-value" 89.79004463 "source-unit" "degree" } "beta" { "source-value" 90.63448459 "source-unit" "degree" } "gamma" { "source-value" 119.18425449 "source-unit" "degree" } }