{ "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 0.75 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.998216 0.234368 0.221531 ] [ 0.238193 0.5 0.222951 ] [ 0.223796 0 0.204117 ] [ 0.998216 0.765632 0.221531 ] [ 0.001784 0.234368 0.778469 ] [ 0.776204 0 0.795883 ] [ 0.761807 0.5 0.777049 ] [ 0.001784 0.765632 0.778469 ] [ 0.498216 0.734368 0.221531 ] [ 0.738193 0 0.222951 ] [ 0.723796 0.5 0.204117 ] [ 0.498216 0.265632 0.221531 ] [ 0.501784 0.734368 0.778469 ] [ 0.276204 0.5 0.795883 ] [ 0.261807 0 0.777049 ] [ 0.501784 0.265632 0.778469 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 10.11254803 "source-unit" "angstrom" } "b" { "source-value" 5.7787588 "source-unit" "angstrom" } "c" { "source-value" 5.8510901 "source-unit" "angstrom" } "beta" { "source-value" 123.9803468 "source-unit" "degree" } }