{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.967264 0.75 ] [ 0 0.661908 0.75 ] [ 0 0.338092 0.25 ] [ 0.5 0.032736 0.25 ] [ 0.5 0.425777 0.75 ] [ 0 0.107094 0.75 ] [ 0 0.892906 0.25 ] [ 0.5 0.574223 0.25 ] [ 0.765887 0.62808 0.945216 ] [ 0.334223 0.27729 0.895049 ] [ 0.665777 0.27729 0.604951 ] [ 0.234113 0.62808 0.554784 ] [ 0.765887 0.37192 0.445216 ] [ 0.334223 0.72271 0.395049 ] [ 0.665777 0.72271 0.104951 ] [ 0.234113 0.37192 0.054784 ] [ 0.529416 0.320055 0.889739 ] [ 0.728696 0.559164 0.844754 ] [ 0.211262 0.247886 0.906209 ] [ 0.90421 0.003825 0.816104 ] [ 0.271304 0.559164 0.655246 ] [ 0.470584 0.320055 0.610261 ] [ 0.09579 0.003825 0.683896 ] [ 0.788738 0.247886 0.593791 ] [ 0.211262 0.752114 0.406209 ] [ 0.90421 0.996175 0.316104 ] [ 0.529416 0.679945 0.389739 ] [ 0.728696 0.440836 0.344754 ] [ 0.09579 0.996175 0.183896 ] [ 0.788738 0.752114 0.093791 ] [ 0.271304 0.440836 0.155246 ] [ 0.470584 0.679945 0.110261 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.54348045 "source-unit" "angstrom" } "b" { "source-value" 7.36768888 "source-unit" "angstrom" } "c" { "source-value" 10.30922521 "source-unit" "angstrom" } "beta" { "source-value" 133.03643324 "source-unit" "degree" } }