{ "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 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0 ] [ 0.765591 0 0.77444 ] [ 0.762924 0.5 0.783584 ] [ 0.006859 0.242188 0.783389 ] [ 0.006859 0.757812 0.783389 ] [ 0.993141 0.242188 0.216611 ] [ 0.993141 0.757812 0.216611 ] [ 0.237076 0.5 0.216416 ] [ 0.234409 0 0.22556 ] [ 0.265591 0.5 0.77444 ] [ 0.262924 0 0.783584 ] [ 0.506859 0.742188 0.783389 ] [ 0.506859 0.257812 0.783389 ] [ 0.493141 0.742188 0.216611 ] [ 0.493141 0.257812 0.216611 ] [ 0.737076 0 0.216416 ] [ 0.734409 0.5 0.22556 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.29865075 "source-unit" "angstrom" } "b" { "source-value" 5.93241234 "source-unit" "angstrom" } "c" { "source-value" 6.006516 "source-unit" "angstrom" } "beta" { "source-value" 124.94146039 "source-unit" "degree" } }