{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.997093 0.995396 0.501588 ] [ 0.997093 0.004604 0.001588 ] [ 0.497093 0.495396 0.501588 ] [ 0.497093 0.504604 0.001588 ] [ 0.836066 0.152318 0.375749 ] [ 0.908372 0.716656 0.530915 ] [ 0.089151 0.272511 0.477324 ] [ 0.836066 0.847682 0.875749 ] [ 0.997206 0.1311 0.7492 ] [ 0.157427 0.831763 0.620111 ] [ 0.908372 0.283344 0.030915 ] [ 0.089151 0.727489 0.977324 ] [ 0.997206 0.8689 0.2492 ] [ 0.157427 0.168237 0.120111 ] [ 0.336066 0.652318 0.375749 ] [ 0.408372 0.216656 0.530915 ] [ 0.589151 0.772511 0.477324 ] [ 0.336066 0.347682 0.875749 ] [ 0.497206 0.6311 0.7492 ] [ 0.657427 0.331763 0.620111 ] [ 0.408372 0.783344 0.030915 ] [ 0.589151 0.227489 0.977324 ] [ 0.497206 0.3689 0.2492 ] [ 0.657427 0.668237 0.120111 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.30895193 "source-unit" "angstrom" } "b" { "source-value" 5.1837326 "source-unit" "angstrom" } "c" { "source-value" 7.34374667 "source-unit" "angstrom" } "beta" { "source-value" 111.44381374 "source-unit" "degree" } }