{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.498068 0 ] [ 0 0.977086 0 ] [ 0 0.216268 0.5 ] [ 0 0.712666 0.5 ] [ 0.165136 0.734603 0.832087 ] [ 0.175863 0.222889 0.841674 ] [ 0.337862 0.959122 0.667758 ] [ 0.154242 0.962652 0.333663 ] [ 0.5 0.470078 0 ] [ 0.172172 0.466611 0.337776 ] [ 0.334872 0.723044 0.169506 ] [ 0.5 0.212584 0.5 ] [ 0.665128 0.723044 0.830494 ] [ 0.827828 0.466611 0.662224 ] [ 0.845758 0.962652 0.666337 ] [ 0.662138 0.959122 0.332242 ] [ 0.824137 0.222889 0.158326 ] [ 0.834864 0.734603 0.167913 ] [ 0.305736 0.458705 0.668534 ] [ 0.5 0.945784 0 ] [ 0.304063 0.222972 0.16768 ] [ 0.5 0.735629 0.5 ] [ 0.695937 0.222972 0.83232 ] [ 0.694264 0.458705 0.331466 ] [ 0.105121 0.694139 0.671346 ] [ 0.268731 0.742233 0.995241 ] [ 0.10267 0.23416 0.662093 ] [ 0.426913 0.461333 0.819433 ] [ 0.102791 0.989863 0.171121 ] [ 0.270213 0.940189 0.495347 ] [ 0.434805 0.992 0.846589 ] [ 0.102056 0.448818 0.161172 ] [ 0.275111 0.470546 0.513085 ] [ 0.722553 0.210797 0.98682 ] [ 0.564573 0.688662 0.653316 ] [ 0.57449 0.221477 0.681235 ] [ 0.42551 0.221477 0.318765 ] [ 0.435427 0.688662 0.346684 ] [ 0.277447 0.210797 0.01318 ] [ 0.724889 0.470546 0.486915 ] [ 0.897944 0.448818 0.838828 ] [ 0.565195 0.992 0.153411 ] [ 0.729787 0.940189 0.504653 ] [ 0.897209 0.989863 0.828879 ] [ 0.573087 0.461333 0.180567 ] [ 0.89733 0.23416 0.337907 ] [ 0.731269 0.742233 0.004759 ] [ 0.894879 0.694139 0.328654 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.8053511 "source-unit" "angstrom" } "b" { "source-value" 5.78773702 "source-unit" "angstrom" } "c" { "source-value" 12.61937192 "source-unit" "angstrom" } "beta" { "source-value" 102.53146863 "source-unit" "degree" } }