{ "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" [ [ 0.160442 0.5 0.333086 ] [ 0.839558 0.5 0.666914 ] [ 0 0 0 ] [ 0.660442 0 0.333086 ] [ 0.339558 0 0.666914 ] [ 0.5 0.5 0 ] [ 0.165478 0.5 0.829747 ] [ 0.834522 0.5 0.170253 ] [ 0.665478 0 0.829747 ] [ 0.334522 0 0.170253 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.003325 0.5 0.723347 ] [ 0.156903 0 0.588624 ] [ 0.830577 0 0.928793 ] [ 0.169423 0 0.071207 ] [ 0.843097 0 0.411376 ] [ 0.996675 0.5 0.276653 ] [ 0.503325 0 0.723347 ] [ 0.656903 0.5 0.588624 ] [ 0.330577 0.5 0.928793 ] [ 0.669423 0.5 0.071207 ] [ 0.343097 0.5 0.411376 ] [ 0.496675 0 0.276653 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "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" 12.90557055 "source-unit" "angstrom" } "b" { "source-value" 2.93353483 "source-unit" "angstrom" } "c" { "source-value" 5.91747922 "source-unit" "angstrom" } "beta" { "source-value" 104.29259961 "source-unit" "degree" } }