{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.54583 0.346452 0.215636 ] [ 0.5 0.213931 0.25 ] [ 0.5 0.476715 0.25 ] [ 0.631911 0.351418 0.45348 ] [ 0.131911 0.148582 0.95348 ] [ 0.868089 0.148582 0.54652 ] [ 0.407845 0.781215 0.4959 ] [ 0.368089 0.351418 0.04652 ] [ 0.407845 0.218785 0.9959 ] [ 0.04583 0.153548 0.715636 ] [ 0.092155 0.281215 0.0041 ] [ 0.092155 0.718785 0.5041 ] [ 0.622261 0.559703 0.366316 ] [ 0 0.023285 0.75 ] [ 0.377739 0.559703 0.133684 ] [ 0.122261 0.940297 0.866316 ] [ 0 0.286069 0.75 ] [ 0.95417 0.153548 0.784364 ] [ 0.877739 0.940297 0.633684 ] [ 0.45417 0.346452 0.284364 ] [ 0.04583 0.846452 0.215636 ] [ 0 0.713931 0.25 ] [ 0 0.976715 0.25 ] [ 0.131911 0.851418 0.45348 ] [ 0.631911 0.648582 0.95348 ] [ 0.368089 0.648582 0.54652 ] [ 0.907845 0.281215 0.4959 ] [ 0.868089 0.851418 0.04652 ] [ 0.907845 0.718785 0.9959 ] [ 0.54583 0.653548 0.715636 ] [ 0.592155 0.781215 0.0041 ] [ 0.592155 0.218785 0.5041 ] [ 0.122261 0.059703 0.366316 ] [ 0.5 0.523285 0.75 ] [ 0.877739 0.059703 0.133684 ] [ 0.622261 0.440297 0.866316 ] [ 0.5 0.786069 0.75 ] [ 0.45417 0.653548 0.784364 ] [ 0.377739 0.440297 0.633684 ] [ 0.95417 0.846452 0.284364 ] [ 0.18405 0.66067 0.617102 ] [ 0.056154 0.426178 0.972948 ] [ 0.15701 0.815398 0.975538 ] [ 0.418545 0.431433 0.304269 ] [ 0.437007 0.081771 0.183963 ] [ 0.921115 0.813326 0.752765 ] [ 0.286898 0.572824 0.043341 ] [ 0.31595 0.16067 0.882898 ] [ 0.943846 0.426178 0.527052 ] [ 0.081455 0.068567 0.695731 ] [ 0.5 0.654309 0.25 ] [ 0.911218 0.290195 0.765118 ] [ 0.411218 0.209805 0.265118 ] [ 0.222364 0.061791 0.109865 ] [ 0.65701 0.684602 0.475538 ] [ 0.578885 0.686674 0.247235 ] [ 0.368349 0.259197 0.854081 ] [ 0.562993 0.081771 0.316037 ] [ 0.195394 0.255953 0.008391 ] [ 0.088782 0.290195 0.734882 ] [ 0.34299 0.684602 0.024462 ] [ 0.31595 0.83933 0.382898 ] [ 0.126982 0.754421 0.64014 ] [ 0.18405 0.33933 0.117102 ] [ 0 0.845691 0.75 ] [ 0.195394 0.744047 0.508391 ] [ 0.581455 0.431433 0.195731 ] [ 0.937007 0.418229 0.683963 ] [ 0.222364 0.938209 0.609865 ] [ 0.277636 0.438209 0.890135 ] [ 0.556154 0.073822 0.472948 ] [ 0.918545 0.068567 0.804269 ] [ 0.713102 0.572824 0.456659 ] [ 0.421115 0.686674 0.252765 ] [ 0.131651 0.240803 0.145919 ] [ 0.443846 0.073822 0.027052 ] [ 0.304606 0.244047 0.991609 ] [ 0.277636 0.561791 0.390135 ] [ 0.368349 0.740803 0.354081 ] [ 0.078885 0.813326 0.747235 ] [ 0.786898 0.927176 0.543341 ] [ 0.84299 0.815398 0.524462 ] [ 0.062993 0.418229 0.816037 ] [ 0.588782 0.209805 0.234882 ] [ 0.304606 0.755953 0.491609 ] [ 0.213102 0.927176 0.956659 ] [ 0.68405 0.16067 0.617102 ] [ 0.556154 0.926178 0.972948 ] [ 0.65701 0.315398 0.975538 ] [ 0.918545 0.931433 0.304269 ] [ 0.937007 0.581771 0.183963 ] [ 0.421115 0.313326 0.752765 ] [ 0.786898 0.072824 0.043341 ] [ 0.81595 0.66067 0.882898 ] [ 0.443846 0.926178 0.527052 ] [ 0.581455 0.568567 0.695731 ] [ 0 0.154309 0.25 ] [ 0.411218 0.790195 0.765118 ] [ 0.911218 0.709805 0.265118 ] [ 0.722364 0.561791 0.109865 ] [ 0.15701 0.184602 0.475538 ] [ 0.078885 0.186674 0.247235 ] [ 0.868349 0.759197 0.854081 ] [ 0.062993 0.581771 0.316037 ] [ 0.695394 0.755953 0.008391 ] [ 0.588782 0.790195 0.734882 ] [ 0.84299 0.184602 0.024462 ] [ 0.81595 0.33933 0.382898 ] [ 0.626982 0.254421 0.64014 ] [ 0.68405 0.83933 0.117102 ] [ 0.5 0.345691 0.75 ] [ 0.695394 0.244047 0.508391 ] [ 0.081455 0.931433 0.195731 ] [ 0.437007 0.918229 0.683963 ] [ 0.722364 0.438209 0.609865 ] [ 0.777636 0.938209 0.890135 ] [ 0.056154 0.573822 0.472948 ] [ 0.418545 0.568567 0.804269 ] [ 0.213102 0.072824 0.456659 ] [ 0.921115 0.186674 0.252765 ] [ 0.631651 0.740803 0.145919 ] [ 0.943846 0.573822 0.027052 ] [ 0.804606 0.744047 0.991609 ] [ 0.777636 0.061791 0.390135 ] [ 0.868349 0.240803 0.354081 ] [ 0.578885 0.313326 0.747235 ] [ 0.286898 0.427176 0.543341 ] [ 0.34299 0.315398 0.524462 ] [ 0.562993 0.918229 0.816037 ] [ 0.088782 0.709805 0.234882 ] [ 0.804606 0.255953 0.491609 ] [ 0.713102 0.427176 0.956659 ] [ 0.066299 0.046279 0.941902 ] [ 0.566299 0.453721 0.441902 ] [ 0.933701 0.046279 0.558098 ] [ 0.433701 0.453721 0.058098 ] [ 0.566299 0.546279 0.941902 ] [ 0.066299 0.953721 0.441902 ] [ 0.433701 0.546279 0.558098 ] [ 0.933701 0.953721 0.058098 ] [ 0.233568 0.586693 0.990996 ] [ 0.237132 0.32113 0.046971 ] [ 0.407914 0.549827 0.981014 ] [ 0.39784 0.472682 0.319935 ] [ 0.175632 0.742213 0.039786 ] [ 0.5 0.762292 0.25 ] [ 0.218495 0.515886 0.291211 ] [ 0.262868 0.82113 0.453029 ] [ 0.549096 0.75779 0.174 ] [ 0.094176 0.50008 0.849287 ] [ 0.610929 0.127401 0.242235 ] [ 0.766432 0.586693 0.509004 ] [ 0.324368 0.757787 0.960214 ] [ 0.278997 0.976207 0.706439 ] [ 0.905824 0.50008 0.650713 ] [ 0.218495 0.484114 0.791211 ] [ 0.405824 0.99992 0.150713 ] [ 0.10216 0.972682 0.180065 ] [ 0.407914 0.450173 0.481014 ] [ 0.594176 0.99992 0.349287 ] [ 0.239761 0.387168 0.193877 ] [ 0.339108 0.277465 0.762811 ] [ 0 0.737708 0.75 ] [ 0.324368 0.242213 0.460214 ] [ 0.089317 0.946144 0.019271 ] [ 0.262868 0.17887 0.953029 ] [ 0.237132 0.67887 0.546971 ] [ 0.39784 0.527318 0.819935 ] [ 0.155909 0.773375 0.731023 ] [ 0.260239 0.887168 0.306123 ] [ 0.281505 0.015886 0.208789 ] [ 0.266432 0.913307 0.009004 ] [ 0.889071 0.372599 0.757765 ] [ 0.239761 0.612832 0.693877 ] [ 0.733568 0.913307 0.490996 ] [ 0.110929 0.372599 0.742235 ] [ 0.339108 0.722535 0.262811 ] [ 0.092086 0.049827 0.518986 ] [ 0.175632 0.257787 0.539786 ] [ 0.389071 0.127401 0.257765 ] [ 0.160892 0.222535 0.237189 ] [ 0.10216 0.027318 0.680065 ] [ 0.950904 0.74221 0.826 ] [ 0.450904 0.75779 0.326 ] [ 0.049096 0.74221 0.674 ] [ 0.260239 0.112832 0.806123 ] [ 0.733568 0.086693 0.990996 ] [ 0.737132 0.82113 0.046971 ] [ 0.907914 0.049827 0.981014 ] [ 0.89784 0.972682 0.319935 ] [ 0.675632 0.242213 0.039786 ] [ 0 0.262292 0.25 ] [ 0.718495 0.015886 0.291211 ] [ 0.762868 0.32113 0.453029 ] [ 0.049096 0.25779 0.174 ] [ 0.594176 0.00008 0.849287 ] [ 0.110929 0.627401 0.242235 ] [ 0.266432 0.086693 0.509004 ] [ 0.824368 0.257787 0.960214 ] [ 0.778997 0.476207 0.706439 ] [ 0.405824 0.00008 0.650713 ] [ 0.718495 0.984114 0.791211 ] [ 0.905824 0.49992 0.150713 ] [ 0.60216 0.472682 0.180065 ] [ 0.907914 0.950173 0.481014 ] [ 0.094176 0.49992 0.349287 ] [ 0.739761 0.887168 0.193877 ] [ 0.839108 0.777465 0.762811 ] [ 0.5 0.237708 0.75 ] [ 0.824368 0.742213 0.460214 ] [ 0.589317 0.446144 0.019271 ] [ 0.762868 0.67887 0.953029 ] [ 0.737132 0.17887 0.546971 ] [ 0.89784 0.027318 0.819935 ] [ 0.655909 0.273375 0.731023 ] [ 0.760239 0.387168 0.306123 ] [ 0.781505 0.515886 0.208789 ] [ 0.766432 0.413307 0.009004 ] [ 0.389071 0.872599 0.757765 ] [ 0.739761 0.112832 0.693877 ] [ 0.233568 0.413307 0.490996 ] [ 0.610929 0.872599 0.742235 ] [ 0.839108 0.222535 0.262811 ] [ 0.592086 0.549827 0.518986 ] [ 0.675632 0.757787 0.539786 ] [ 0.889071 0.627401 0.257765 ] [ 0.660892 0.722535 0.237189 ] [ 0.60216 0.527318 0.680065 ] [ 0.450904 0.24221 0.826 ] [ 0.950904 0.25779 0.326 ] [ 0.549096 0.24221 0.674 ] [ 0.760239 0.612832 0.806123 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 37.3172390291 "source-unit" "angstrom" } "b" { "source-value" 10.8431968815 "source-unit" "angstrom" } "c" { "source-value" 21.4681520121 "source-unit" "angstrom" } "beta" { "source-value" 150.824769526 "source-unit" "degree" } }