{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.767063 0.75 0.51305 ] [ 0.232937 0.25 0.48695 ] [ 0.609042 0.450645 0.152427 ] [ 0.609042 0.049355 0.152427 ] [ 0.390958 0.549355 0.847573 ] [ 0.390958 0.950645 0.847573 ] [ 0.213609 0.75 0.171922 ] [ 0.786391 0.25 0.828078 ] [ 0.090025 0.75 0.199002 ] [ 0.909975 0.25 0.800998 ] [ 0.230163 0.25 0.015587 ] [ 0.769837 0.75 0.984413 ] [ 0.854698 0.25 0.255978 ] [ 0.145302 0.75 0.744022 ] [ 0.646057 0.25 0.372242 ] [ 0.388595 0.25 0.9766 ] [ 0.353943 0.75 0.627758 ] [ 0.611405 0.75 0.0234 ] ] } "species" { "source-value" [ "K" "K" "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "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" 5.67772211771 "source-unit" "angstrom" } "b" { "source-value" 5.52851864 "source-unit" "angstrom" } "c" { "source-value" 7.36700924141 "source-unit" "angstrom" } "beta" { "source-value" 96.3731929077 "source-unit" "degree" } }