{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2e" } "basis-atom-coordinates" { "source-value" [ [ 0.822585 0.295028 0.617881 ] [ 0.822585 0.704972 0.382119 ] [ 0.822585 0.795028 0.882119 ] [ 0.822585 0.204972 0.117881 ] [ 0.322585 0.795028 0.617881 ] [ 0.322585 0.204972 0.382119 ] [ 0.322585 0.295028 0.882119 ] [ 0.322585 0.704972 0.117881 ] [ 0.12127 0.04621 0.755324 ] [ 0.12127 0.95379 0.244676 ] [ 0.62127 0.04621 0.744676 ] [ 0.62127 0.95379 0.255324 ] [ 0.459974 0 0 ] [ 0.959974 0 0.5 ] [ 0.62127 0.54621 0.755324 ] [ 0.62127 0.45379 0.244676 ] [ 0.12127 0.54621 0.744676 ] [ 0.12127 0.45379 0.255324 ] [ 0.959974 0.5 0 ] [ 0.459974 0.5 0.5 ] [ 0.814868 0.288984 0.864434 ] [ 0.814868 0.711016 0.135566 ] [ 0.814868 0.211016 0.364434 ] [ 0.814868 0.788984 0.635566 ] [ 0.314868 0.788984 0.864434 ] [ 0.314868 0.211016 0.135566 ] [ 0.314868 0.711016 0.364434 ] [ 0.314868 0.288984 0.635566 ] [ 0.962103 0.733745 0.036898 ] [ 0.962103 0.266255 0.963102 ] [ 0.963061 0.207137 0.270341 ] [ 0.963061 0.792863 0.729659 ] [ 0.963061 0.707137 0.229659 ] [ 0.963061 0.292863 0.770341 ] [ 0.666389 0.905306 0.13175 ] [ 0.666389 0.094694 0.86825 ] [ 0.166389 0.905306 0.36825 ] [ 0.166389 0.094694 0.63175 ] [ 0.667471 0.017805 0.376588 ] [ 0.667471 0.982195 0.623412 ] [ 0.167471 0.017805 0.123412 ] [ 0.167471 0.982195 0.876588 ] [ 0.962103 0.233745 0.463102 ] [ 0.962103 0.766255 0.536898 ] [ 0.462103 0.233745 0.036898 ] [ 0.462103 0.766255 0.963102 ] [ 0.463061 0.707137 0.270341 ] [ 0.463061 0.292863 0.729659 ] [ 0.463061 0.207137 0.229659 ] [ 0.463061 0.792863 0.770341 ] [ 0.166389 0.405306 0.13175 ] [ 0.166389 0.594694 0.86825 ] [ 0.666389 0.405306 0.36825 ] [ 0.666389 0.594694 0.63175 ] [ 0.167471 0.517805 0.376588 ] [ 0.167471 0.482195 0.623412 ] [ 0.667471 0.517805 0.123412 ] [ 0.667471 0.482195 0.876588 ] [ 0.462103 0.733745 0.463102 ] [ 0.462103 0.266255 0.536898 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.06835892107 "source-unit" "angstrom" } "b" { "source-value" 10.2505682964 "source-unit" "angstrom" } "c" { "source-value" 20.46749228 "source-unit" "angstrom" } }