{ "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 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.267272 0 0.750413 ] [ 0.996213 0.757903 0.227273 ] [ 0.769068 0 0.771694 ] [ 0.732728 0 0.249587 ] [ 0.996213 0.242097 0.227273 ] [ 0.003787 0.242097 0.772727 ] [ 0.230932 0 0.228306 ] [ 0.003787 0.757903 0.772727 ] [ 0.767272 0.5 0.750413 ] [ 0.496213 0.257903 0.227273 ] [ 0.269068 0.5 0.771694 ] [ 0.232728 0.5 0.249587 ] [ 0.496213 0.742097 0.227273 ] [ 0.503787 0.742097 0.772727 ] [ 0.730932 0.5 0.228306 ] [ 0.503787 0.257903 0.772727 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "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" 10.46817351 "source-unit" "angstrom" } "b" { "source-value" 6.11252804 "source-unit" "angstrom" } "c" { "source-value" 6.10102904 "source-unit" "angstrom" } "beta" { "source-value" 124.13399281 "source-unit" "degree" } }