{ "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" [ [ 0.400729 0.595329 0.177161 ] [ 0.599271 0.095329 0.322839 ] [ 0.400729 0.904671 0.677161 ] [ 0.599271 0.404671 0.822839 ] [ 0.784676 0.881452 0.057192 ] [ 0.215324 0.381452 0.442808 ] [ 0.784676 0.618548 0.557192 ] [ 0.215324 0.118548 0.942808 ] [ 0.937858 0.333246 0.138282 ] [ 0.062142 0.833246 0.361718 ] [ 0.937858 0.166754 0.638282 ] [ 0.062142 0.666754 0.861718 ] [ 0.846132 0.260598 0.012856 ] [ 0.374927 0.003796 0.111383 ] [ 0.853998 0.464345 0.132906 ] [ 0.8978 0.764419 0.237741 ] [ 0.1022 0.264419 0.262259 ] [ 0.146002 0.964345 0.367094 ] [ 0.625073 0.503796 0.388617 ] [ 0.153868 0.760598 0.487144 ] [ 0.846132 0.239402 0.512856 ] [ 0.374927 0.496204 0.611383 ] [ 0.853998 0.035655 0.632906 ] [ 0.8978 0.735581 0.737741 ] [ 0.1022 0.235581 0.762259 ] [ 0.146002 0.535655 0.867094 ] [ 0.625073 0.996204 0.888617 ] [ 0.153868 0.739402 0.987144 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "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" 3.10686547 "source-unit" "angstrom" } "b" { "source-value" 9.35510391 "source-unit" "angstrom" } "c" { "source-value" 9.41919024 "source-unit" "angstrom" } "beta" { "source-value" 106.4113093 "source-unit" "degree" } }