{ "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" [ [ 0.0432 0.321698 0.167693 ] [ 0.0432 0.178302 0.667693 ] [ 0.226281 0.180269 0.427245 ] [ 0.226281 0.319731 0.927245 ] [ 0.773719 0.680269 0.072755 ] [ 0.773719 0.819731 0.572755 ] [ 0.9568 0.821698 0.332307 ] [ 0.9568 0.678302 0.832307 ] [ 0.574589 0.179043 0.168043 ] [ 0.425411 0.679043 0.331957 ] [ 0.574589 0.320957 0.668043 ] [ 0.425411 0.820957 0.831957 ] [ 0.256668 0.817952 0.088529 ] [ 0.256668 0.682048 0.588529 ] [ 0.743332 0.317952 0.411471 ] [ 0.743332 0.182048 0.911471 ] [ 0.090999 0.695314 0.180231 ] [ 0.090999 0.804686 0.680231 ] [ 0.237001 0.116988 0.074782 ] [ 0.237001 0.383012 0.574782 ] [ 0.239224 0.824518 0.456695 ] [ 0.477924 0.286348 0.33677 ] [ 0.239224 0.675482 0.956695 ] [ 0.477924 0.213652 0.83677 ] [ 0.522076 0.786348 0.16323 ] [ 0.760776 0.324518 0.043305 ] [ 0.522076 0.713652 0.66323 ] [ 0.760776 0.175482 0.543305 ] [ 0.762999 0.616988 0.425218 ] [ 0.762999 0.883012 0.925218 ] [ 0.909001 0.195314 0.319769 ] [ 0.909001 0.304686 0.819769 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 5.98385978 "source-unit" "angstrom" } "b" { "source-value" 5.46785957 "source-unit" "angstrom" } "c" { "source-value" 11.06126366 "source-unit" "angstrom" } "beta" { "source-value" 97.29416013 "source-unit" "degree" } }