{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.857239 0.733914 0.747329 ] [ 0.142761 0.233914 0.752671 ] [ 0.857239 0.766086 0.247329 ] [ 0.142761 0.266086 0.252671 ] [ 0.320046 0.984667 0.088557 ] [ 0.679954 0.484667 0.411443 ] [ 0.320046 0.515333 0.588557 ] [ 0.679954 0.015333 0.911443 ] [ 0.238311 0.663114 0.168987 ] [ 0.761689 0.163114 0.331013 ] [ 0.238311 0.836886 0.668987 ] [ 0.761689 0.336886 0.831013 ] [ 0.033871 0.795422 0.06083 ] [ 0.784984 0.469763 0.714319 ] [ 0.485832 0.673398 0.175078 ] [ 0.514168 0.173398 0.324922 ] [ 0.966129 0.295422 0.43917 ] [ 0.784984 0.030237 0.214319 ] [ 0.215016 0.969763 0.785681 ] [ 0.033871 0.704578 0.56083 ] [ 0.485832 0.826602 0.675078 ] [ 0.514168 0.326602 0.824922 ] [ 0.215016 0.530237 0.285681 ] [ 0.966129 0.204578 0.93917 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 5.6627906 "source-unit" "angstrom" } "b" { "source-value" 7.3966214 "source-unit" "angstrom" } "c" { "source-value" 7.69408784 "source-unit" "angstrom" } "beta" { "source-value" 122.83168746 "source-unit" "degree" } }