{ "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" [ [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.236971 0.5 0.253206 ] [ 0.504801 0.755115 0.759514 ] [ 0.004801 0.744885 0.759514 ] [ 0.249553 0 0.244556 ] [ 0.750447 0 0.755444 ] [ 0.995199 0.255115 0.240486 ] [ 0.495199 0.244885 0.240486 ] [ 0.763029 0.5 0.746794 ] [ 0.736971 0 0.253206 ] [ 0.004801 0.255115 0.759514 ] [ 0.504801 0.244885 0.759514 ] [ 0.749553 0.5 0.244556 ] [ 0.250447 0.5 0.755444 ] [ 0.495199 0.755115 0.240486 ] [ 0.995199 0.744885 0.240486 ] [ 0.263029 0 0.746794 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Fe" "Fe" "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" 10.31507971 "source-unit" "angstrom" } "b" { "source-value" 6.00633517 "source-unit" "angstrom" } "c" { "source-value" 5.98684347 "source-unit" "angstrom" } "beta" { "source-value" 125.24796799 "source-unit" "degree" } }