{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.912983 0.897186 0.055293 ] [ 0.912983 0.102814 0.555293 ] [ 0.087017 0.897186 0.444707 ] [ 0.087017 0.102814 0.944707 ] [ 0.412983 0.397186 0.055293 ] [ 0.412983 0.602814 0.555293 ] [ 0.587017 0.397186 0.444707 ] [ 0.587017 0.602814 0.944707 ] [ 0.814206 0.628751 0.442384 ] [ 0.814206 0.371249 0.942384 ] [ 0.185794 0.628751 0.057616 ] [ 0.185794 0.371249 0.557616 ] [ 0 0.487444 0.25 ] [ 0 0.512556 0.75 ] [ 0.314206 0.128751 0.442384 ] [ 0.314206 0.871249 0.942384 ] [ 0.685794 0.128751 0.057616 ] [ 0.685794 0.871249 0.557616 ] [ 0.5 0.987444 0.25 ] [ 0.5 0.012556 0.75 ] [ 0.946079 0.747495 0.443959 ] [ 0.946079 0.252505 0.943959 ] [ 0.801919 0.301565 0.296141 ] [ 0.198081 0.301565 0.203859 ] [ 0.801919 0.698435 0.796141 ] [ 0.198081 0.698435 0.703859 ] [ 0.053921 0.747495 0.056041 ] [ 0.053921 0.252505 0.556041 ] [ 0.446079 0.247495 0.443959 ] [ 0.446079 0.752505 0.943959 ] [ 0.301919 0.801565 0.296141 ] [ 0.698081 0.801565 0.203859 ] [ 0.301919 0.198435 0.796141 ] [ 0.698081 0.198435 0.703859 ] [ 0.553921 0.247495 0.056041 ] [ 0.553921 0.752505 0.556041 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.71399334 "source-unit" "angstrom" } "b" { "source-value" 6.52923831 "source-unit" "angstrom" } "c" { "source-value" 6.20711748 "source-unit" "angstrom" } "beta" { "source-value" 108.58017668 "source-unit" "degree" } }