{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.83229 0 0.161668 ] [ 0.66771 0.5 0.838332 ] [ 0.33229 0.5 0.161668 ] [ 0.16771 0 0.838332 ] [ 0.840504 0.5 0.378735 ] [ 0.013912 0 0.727818 ] [ 0.680088 0 0.052445 ] [ 0.986088 0 0.272182 ] [ 0.659496 0 0.621265 ] [ 0.819912 0.5 0.947555 ] [ 0.340504 0 0.378735 ] [ 0.513912 0.5 0.727818 ] [ 0.180088 0.5 0.052445 ] [ 0.486088 0.5 0.272182 ] [ 0.159496 0.5 0.621265 ] [ 0.319912 0 0.947555 ] ] } "species" { "source-value" [ "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" 12.61617226 "source-unit" "angstrom" } "b" { "source-value" 2.84744626 "source-unit" "angstrom" } "c" { "source-value" 5.79993427 "source-unit" "angstrom" } "beta" { "source-value" 103.72364794 "source-unit" "degree" } }