{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.360171 0.391024 0.848671 ] [ 0.154512 0.683264 0.568033 ] [ 0.360171 0.108976 0.348671 ] [ 0.154512 0.816736 0.068033 ] [ 0.845488 0.183264 0.931967 ] [ 0.639829 0.891024 0.651329 ] [ 0.845488 0.316736 0.431967 ] [ 0.639829 0.608976 0.151329 ] [ 0.480752 0.87082 0.928788 ] [ 0.480752 0.62918 0.428788 ] [ 0.519248 0.37082 0.571212 ] [ 0.519248 0.12918 0.071212 ] [ 0.078922 0.020046 0.867229 ] [ 0.078922 0.479954 0.367229 ] [ 0.525069 0.613737 0.787184 ] [ 0.474931 0.113737 0.712816 ] [ 0.525069 0.886263 0.287184 ] [ 0.474931 0.386263 0.212816 ] [ 0.921078 0.520046 0.632771 ] [ 0.921078 0.979954 0.132771 ] [ 0.122818 0.532336 0.705752 ] [ 0.166141 0.900904 0.870389 ] [ 0.122818 0.967664 0.205752 ] [ 0.166141 0.599096 0.370389 ] [ 0.193665 0.376826 0.444679 ] [ 0.531695 0.660474 0.921956 ] [ 0.445534 0.985722 0.724357 ] [ 0.51834 0.196653 0.835284 ] [ 0.48166 0.696653 0.664716 ] [ 0.554466 0.485722 0.775643 ] [ 0.193665 0.123174 0.944679 ] [ 0.468305 0.160474 0.578044 ] [ 0.531695 0.839526 0.421956 ] [ 0.806335 0.876826 0.055321 ] [ 0.445534 0.514278 0.224357 ] [ 0.51834 0.303347 0.335284 ] [ 0.48166 0.803347 0.164716 ] [ 0.554466 0.014278 0.275643 ] [ 0.468305 0.339526 0.078044 ] [ 0.806335 0.623174 0.555321 ] [ 0.833859 0.400904 0.629611 ] [ 0.877182 0.032336 0.794248 ] [ 0.833859 0.099096 0.129611 ] [ 0.877182 0.467664 0.294248 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" "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" 7.01680587 "source-unit" "angstrom" } "b" { "source-value" 9.85872572 "source-unit" "angstrom" } "c" { "source-value" 9.1102825 "source-unit" "angstrom" } "beta" { "source-value" 115.87099303 "source-unit" "degree" } }