{ "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" [ [ 0.5 0.709856 0 ] [ 0 0.790144 0 ] [ 0 0.209856 0 ] [ 0.5 0.290144 0 ] [ 0.5 0.803532 0.5 ] [ 0 0.696468 0.5 ] [ 0 0.303532 0.5 ] [ 0.5 0.196468 0.5 ] [ 0.724588 0.5 0.536399 ] [ 0.775412 0 0.463601 ] [ 0.799382 0.5 0.082881 ] [ 0.700618 0 0.917119 ] [ 0.224588 0 0.536399 ] [ 0.275412 0.5 0.463601 ] [ 0.299382 0 0.082881 ] [ 0.200618 0.5 0.917119 ] [ 0.383584 0.666059 0.578014 ] [ 0.616416 0.666059 0.421986 ] [ 0.116416 0.833941 0.421986 ] [ 0.883584 0.833941 0.578014 ] [ 0.628477 0 0.521251 ] [ 0.871523 0.5 0.478749 ] [ 0.867449 0 0.958989 ] [ 0.632551 0.5 0.041011 ] [ 0.109095 0.681007 0.812418 ] [ 0.890905 0.681007 0.187582 ] [ 0.609095 0.818993 0.812418 ] [ 0.390905 0.818993 0.187582 ] [ 0.675678 0 0.166039 ] [ 0.824322 0.5 0.833961 ] [ 0.883584 0.166059 0.578014 ] [ 0.116416 0.166059 0.421986 ] [ 0.616416 0.333941 0.421986 ] [ 0.383584 0.333941 0.578014 ] [ 0.128477 0.5 0.521251 ] [ 0.371523 0 0.478749 ] [ 0.367449 0.5 0.958989 ] [ 0.132551 0 0.041011 ] [ 0.609095 0.181007 0.812418 ] [ 0.390905 0.181007 0.187582 ] [ 0.109095 0.318993 0.812418 ] [ 0.890905 0.318993 0.187582 ] [ 0.175678 0.5 0.166039 ] [ 0.324322 0 0.833961 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.9059741 "source-unit" "angstrom" } "b" { "source-value" 8.4933447 "source-unit" "angstrom" } "c" { "source-value" 6.76979317 "source-unit" "angstrom" } "beta" { "source-value" 117.55881895 "source-unit" "degree" } }