{ "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" [ [ 0.243761 0.75 0.101809 ] [ 0.75511 0.979753 0.277917 ] [ 0.75511 0.520247 0.277917 ] [ 0.24489 0.479753 0.722083 ] [ 0.24489 0.020247 0.722083 ] [ 0.756239 0.25 0.898191 ] [ 0.198184 0.25 0.33131 ] [ 0.801816 0.75 0.66869 ] [ 0.291499 0.75 0.421355 ] [ 0.708501 0.25 0.578645 ] [ 0.290184 0.25 0.031971 ] [ 0.709816 0.75 0.968029 ] [ 0.650066 0.75 0.114916 ] [ 0.045578 0.25 0.068918 ] [ 0.479236 0.25 0.147387 ] [ 0.188255 0.950005 0.30392 ] [ 0.188255 0.549995 0.30392 ] [ 0.620158 0.75 0.447259 ] [ 0.829929 0.25 0.405594 ] [ 0.170071 0.75 0.594406 ] [ 0.379842 0.25 0.552741 ] [ 0.811745 0.450005 0.69608 ] [ 0.811745 0.049995 0.69608 ] [ 0.520764 0.75 0.852613 ] [ 0.954422 0.75 0.931082 ] [ 0.349934 0.25 0.885084 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "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" 5.03636574 "source-unit" "angstrom" } "b" { "source-value" 6.2895625 "source-unit" "angstrom" } "c" { "source-value" 8.39455075 "source-unit" "angstrom" } "beta" { "source-value" 94.83055069 "source-unit" "degree" } }