{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.801336 0.392219 0.340468 ] [ 0.030768 0.311139 0.522258 ] [ 0.470386 0.944127 0.023931 ] [ 0.02748 0.037129 0.033082 ] [ 0.324243 0.016933 0.905199 ] [ 0.596642 0.983505 0.331531 ] [ 0.198664 0.892219 0.659532 ] [ 0.173087 0.233453 0.403882 ] [ 0.403358 0.483505 0.668469 ] [ 0.826913 0.733453 0.596118 ] [ 0.655747 0.141898 0.708576 ] [ 0.300158 0.359151 0.159099 ] [ 0.969232 0.811139 0.477742 ] [ 0.97252 0.537129 0.966918 ] [ 0.344253 0.641898 0.291424 ] [ 0.093671 0.760655 0.163077 ] [ 0.529614 0.444127 0.976069 ] [ 0.523203 0.561702 0.528223 ] [ 0.699842 0.859151 0.840901 ] [ 0.844576 0.104249 0.213398 ] [ 0.675757 0.516933 0.094801 ] [ 0.906329 0.260655 0.836923 ] [ 0.155424 0.604249 0.786602 ] [ 0.476797 0.061702 0.471777 ] [ 0.611972 0.622728 0.003827 ] [ 0.496848 0.382143 0.60896 ] [ 0.503152 0.882143 0.39104 ] [ 0.388028 0.122728 0.996173 ] [ 0.005811 0.356778 0.888109 ] [ 0.889964 0.631155 0.504646 ] [ 0.746334 0.999184 0.751736 ] [ 0.110036 0.131155 0.495354 ] [ 0.253666 0.499184 0.248264 ] [ 0.754245 0.249958 0.252198 ] [ 0.245755 0.749958 0.747802 ] [ 0.994189 0.856778 0.111891 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 8.19203228016 "source-unit" "angstrom" } "b" { "source-value" 3.96558565806 "source-unit" "angstrom" } "c" { "source-value" 8.26164532567 "source-unit" "angstrom" } "beta" { "source-value" 90.935652154 "source-unit" "degree" } }