{ "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" [ [ 0.993708 0.319911 0.587251 ] [ 0.993708 0.180089 0.087251 ] [ 0.239227 0.317975 0.83318 ] [ 0.239227 0.182025 0.33318 ] [ 0.760773 0.817975 0.66682 ] [ 0.760773 0.682025 0.16682 ] [ 0.006292 0.819911 0.912749 ] [ 0.006292 0.680089 0.412749 ] [ 0.489516 0.27817 0.584783 ] [ 0.489516 0.22183 0.084783 ] [ 0.510484 0.77817 0.915217 ] [ 0.510484 0.72183 0.415217 ] [ 0.240137 0.818245 0.665622 ] [ 0.240137 0.681755 0.165622 ] [ 0.759863 0.318245 0.834378 ] [ 0.759863 0.181755 0.334378 ] [ 0.023944 0.714884 0.595128 ] [ 0.023944 0.785116 0.095128 ] [ 0.25286 0.708494 0.811555 ] [ 0.250953 0.148812 0.667748 ] [ 0.25286 0.791506 0.311555 ] [ 0.250953 0.351188 0.167748 ] [ 0.450131 0.710081 0.591385 ] [ 0.450131 0.789919 0.091385 ] [ 0.549869 0.210081 0.908615 ] [ 0.549869 0.289919 0.408615 ] [ 0.749047 0.648812 0.832252 ] [ 0.74714 0.208494 0.688445 ] [ 0.749047 0.851188 0.332252 ] [ 0.74714 0.291506 0.188445 ] [ 0.976056 0.214884 0.904872 ] [ 0.976056 0.285116 0.404872 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 6.34956164 "source-unit" "angstrom" } "b" { "source-value" 5.03337776 "source-unit" "angstrom" } "c" { "source-value" 10.72181659 "source-unit" "angstrom" } "beta" { "source-value" 92.67181313 "source-unit" "degree" } }