{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.170145 0 0.333559 ] [ 0 0.5 0 ] [ 0.329855 0.5 0.666441 ] [ 0.670145 0.5 0.333559 ] [ 0.5 0 0 ] [ 0.829855 0 0.666441 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.16752 0 0.83514 ] [ 0.33248 0.5 0.16486 ] [ 0.66752 0.5 0.83514 ] [ 0.83248 0 0.16486 ] [ 0.163969 0.5 0.605267 ] [ 0.994048 0 0.257893 ] [ 0.325194 0 0.935715 ] [ 0.005952 0 0.742107 ] [ 0.336031 0 0.394733 ] [ 0.174806 0.5 0.064285 ] [ 0.663969 0 0.605267 ] [ 0.494048 0.5 0.257893 ] [ 0.825194 0.5 0.935715 ] [ 0.505952 0.5 0.742107 ] [ 0.836031 0.5 0.394733 ] [ 0.674806 0 0.064285 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Co" "Co" "Co" "Co" "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" 12.62745996 "source-unit" "angstrom" } "b" { "source-value" 2.89027721 "source-unit" "angstrom" } "c" { "source-value" 5.82105123 "source-unit" "angstrom" } "beta" { "source-value" 104.2551807 "source-unit" "degree" } }