{ "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" [ [ 0.234664 0.75 0.110315 ] [ 0.766792 0.963956 0.29244 ] [ 0.766792 0.536044 0.29244 ] [ 0.233208 0.463956 0.70756 ] [ 0.233208 0.036044 0.70756 ] [ 0.765336 0.25 0.889685 ] [ 0.196725 0.25 0.319782 ] [ 0.803275 0.75 0.680218 ] [ 0.28576 0.75 0.423393 ] [ 0.71424 0.25 0.576607 ] [ 0.293915 0.25 0.029597 ] [ 0.706085 0.75 0.970403 ] [ 0.644278 0.75 0.117414 ] [ 0.049015 0.25 0.06867 ] [ 0.477184 0.25 0.1498 ] [ 0.180893 0.943074 0.304946 ] [ 0.180893 0.556926 0.304946 ] [ 0.614178 0.75 0.455852 ] [ 0.837315 0.25 0.400964 ] [ 0.162685 0.75 0.599036 ] [ 0.385822 0.25 0.544148 ] [ 0.819107 0.443074 0.695054 ] [ 0.819107 0.056926 0.695054 ] [ 0.522816 0.75 0.8502 ] [ 0.950985 0.75 0.93133 ] [ 0.355722 0.25 0.882586 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Si" "Si" "C" "C" "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" 5.04445631 "source-unit" "angstrom" } "b" { "source-value" 6.45719571 "source-unit" "angstrom" } "c" { "source-value" 8.29068154 "source-unit" "angstrom" } "beta" { "source-value" 94.84902323 "source-unit" "degree" } }