{ "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" [ [ 0.77002 0.478908 0.196968 ] [ 0.77002 0.021092 0.196968 ] [ 0.22998 0.521092 0.803032 ] [ 0.22998 0.978908 0.803032 ] [ 0.220634 0.25 0.351422 ] [ 0.779366 0.75 0.648578 ] [ 0.27363 0.25 0.059929 ] [ 0.72637 0.75 0.940071 ] [ 0.286443 0.75 0.419904 ] [ 0.713557 0.25 0.580096 ] [ 0.717063 0.75 0.087827 ] [ 0.04603 0.25 0.128833 ] [ 0.486389 0.25 0.15265 ] [ 0.186707 0.934342 0.33201 ] [ 0.186707 0.565658 0.33201 ] [ 0.813056 0.25 0.419269 ] [ 0.583874 0.75 0.431994 ] [ 0.416126 0.25 0.568006 ] [ 0.186944 0.75 0.580731 ] [ 0.813293 0.434342 0.66799 ] [ 0.813293 0.065658 0.66799 ] [ 0.513611 0.75 0.84735 ] [ 0.95397 0.75 0.871167 ] [ 0.282937 0.25 0.912173 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "C" "C" "S" "S" "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" 5.04229518 "source-unit" "angstrom" } "b" { "source-value" 6.4244229 "source-unit" "angstrom" } "c" { "source-value" 8.62747571 "source-unit" "angstrom" } "beta" { "source-value" 92.4562719 "source-unit" "degree" } }