{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.254441 0.75 ] [ 0 0.745559 0.25 ] [ 0 0.752336 0.75 ] [ 0 0.247664 0.25 ] [ 0.299177 0.463827 0.999994 ] [ 0.701266 0.038111 0.848862 ] [ 0.298734 0.038111 0.651138 ] [ 0.700823 0.463827 0.500006 ] [ 0.299177 0.536173 0.499994 ] [ 0.701266 0.961889 0.348862 ] [ 0.298734 0.961889 0.151138 ] [ 0.700823 0.536173 0.000006 ] [ 0.5 0.5 0 ] [ 0.151437 0.507429 0.861682 ] [ 0.846677 0.999784 0.782004 ] [ 0.728739 0.826031 0.957983 ] [ 0.728944 0.3281 0.903388 ] [ 0.153323 0.999784 0.717996 ] [ 0.848563 0.507429 0.638318 ] [ 0.5 0.0034 0.75 ] [ 0.271056 0.3281 0.596612 ] [ 0.728739 0.173969 0.457983 ] [ 0.271261 0.826031 0.542017 ] [ 0.728944 0.6719 0.403388 ] [ 0.5 0.5 0.5 ] [ 0.5 0.9966 0.25 ] [ 0.151437 0.492571 0.361682 ] [ 0.846677 0.000216 0.282004 ] [ 0.271056 0.6719 0.096612 ] [ 0.271261 0.173969 0.042017 ] [ 0.153323 0.000216 0.217996 ] [ 0.848563 0.492571 0.138318 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 8.01722492 "source-unit" "angstrom" } "b" { "source-value" 5.26673819 "source-unit" "angstrom" } "c" { "source-value" 11.57152142 "source-unit" "angstrom" } "beta" { "source-value" 111.00790645 "source-unit" "degree" } }