{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.253434 0 ] [ 0.5 0.753434 0 ] [ 0 0.876024 0 ] [ 0.5 0.376024 0 ] [ 0.71457 0.037753 0.407364 ] [ 0.28543 0.037753 0.592636 ] [ 0.21457 0.537753 0.407364 ] [ 0.78543 0.537753 0.592636 ] [ 0 0.451723 0.5 ] [ 0.893422 0.058037 0.724749 ] [ 0.252604 0.896344 0.832448 ] [ 0.747396 0.896344 0.167552 ] [ 0.106578 0.058037 0.275251 ] [ 0.1621 0.720335 0.262978 ] [ 0.8379 0.720335 0.737022 ] [ 0.5 0.951723 0.5 ] [ 0.393422 0.558037 0.724749 ] [ 0.752604 0.396344 0.832448 ] [ 0.247396 0.396344 0.167552 ] [ 0.606578 0.558037 0.275251 ] [ 0.6621 0.220335 0.262978 ] [ 0.3379 0.220335 0.737022 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "As" "As" "As" "As" "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" 6.81013908857 "source-unit" "angstrom" } "b" { "source-value" 8.42470993429 "source-unit" "angstrom" } "c" { "source-value" 4.8221366409 "source-unit" "angstrom" } "beta" { "source-value" 104.268248868 "source-unit" "degree" } }