{ "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" [ [ 0.315113 0.157518 0.001074 ] [ 0.540194 0.932355 0.246913 ] [ 0.459806 0.432355 0.253087 ] [ 0.684887 0.657518 0.498926 ] [ 0.315113 0.342482 0.501074 ] [ 0.540194 0.567645 0.746913 ] [ 0.459806 0.067645 0.753087 ] [ 0.684887 0.842482 0.998926 ] [ 0.817861 0.331045 0.007938 ] [ 0.182139 0.831045 0.492062 ] [ 0.817861 0.168955 0.507938 ] [ 0.182139 0.668955 0.992062 ] [ 0.942257 0.592091 0.247837 ] [ 0.057743 0.092091 0.252163 ] [ 0.942257 0.907909 0.747837 ] [ 0.057743 0.407909 0.752163 ] [ 0.817181 0.670741 0.027253 ] [ 0.733974 0.155823 0.026988 ] [ 0.938321 0.958902 0.260603 ] [ 0.62997 0.58651 0.249409 ] [ 0.37003 0.08651 0.250591 ] [ 0.061679 0.458902 0.239397 ] [ 0.266026 0.655823 0.473012 ] [ 0.182819 0.170741 0.472747 ] [ 0.817181 0.829259 0.527253 ] [ 0.733974 0.344177 0.526988 ] [ 0.938321 0.541098 0.760603 ] [ 0.62997 0.91349 0.749409 ] [ 0.37003 0.41349 0.750591 ] [ 0.061679 0.041098 0.739397 ] [ 0.266026 0.844177 0.973012 ] [ 0.182819 0.329259 0.972747 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.22720994 "source-unit" "angstrom" } "b" { "source-value" 11.31630012 "source-unit" "angstrom" } "c" { "source-value" 7.83717224 "source-unit" "angstrom" } "beta" { "source-value" 128.77694558 "source-unit" "degree" } }