{ "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" [ [ 0.319211 0.142428 0.303537 ] [ 0 0.5 0 ] [ 0.680789 0.642428 0.196463 ] [ 0 0 0.5 ] [ 0.319211 0.357572 0.803537 ] [ 0.680789 0.857572 0.696463 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.804823 0.180941 0.777409 ] [ 0.195177 0.680941 0.722591 ] [ 0.804823 0.319059 0.277409 ] [ 0.195177 0.819059 0.222591 ] [ 0.820184 0.354687 0.751 ] [ 0.741069 0.098774 0.587321 ] [ 0.525304 0.35668 0.307132 ] [ 0.140153 0.134073 0.977751 ] [ 0.474696 0.85668 0.192868 ] [ 0.859847 0.634073 0.522249 ] [ 0.258931 0.598774 0.912679 ] [ 0.179816 0.854687 0.749 ] [ 0.820184 0.145313 0.251 ] [ 0.741069 0.401226 0.087321 ] [ 0.140153 0.365927 0.477751 ] [ 0.525304 0.14332 0.807132 ] [ 0.859847 0.865927 0.022249 ] [ 0.474696 0.64332 0.692868 ] [ 0.258931 0.901226 0.412679 ] [ 0.179816 0.645313 0.249 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "P" "P" "P" "P" "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" 4.9802551 "source-unit" "angstrom" } "b" { "source-value" 8.92642885 "source-unit" "angstrom" } "c" { "source-value" 7.81397643 "source-unit" "angstrom" } "beta" { "source-value" 124.71911431 "source-unit" "degree" } }