{ "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" [ [ 0.506704 0.755265 0.019005 ] [ 0.006704 0.744735 0.019005 ] [ 0.917047 0.141617 0.331029 ] [ 0.417047 0.358383 0.331029 ] [ 0.582953 0.641617 0.668971 ] [ 0.082953 0.858383 0.668971 ] [ 0.993296 0.255265 0.980995 ] [ 0.493296 0.244735 0.980995 ] [ 0.851022 0.612431 0.359336 ] [ 0.351022 0.887569 0.359336 ] [ 0.648978 0.112431 0.640664 ] [ 0.148978 0.387569 0.640664 ] [ 0.763299 0.469533 0.143462 ] [ 0.263299 0.030467 0.143462 ] [ 0.714055 0.873527 0.456221 ] [ 0.214055 0.626473 0.456221 ] [ 0.785945 0.373527 0.543779 ] [ 0.285945 0.126473 0.543779 ] [ 0.736701 0.969533 0.856538 ] [ 0.236701 0.530467 0.856538 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 5.74773668 "source-unit" "angstrom" } "b" { "source-value" 6.21976899 "source-unit" "angstrom" } "c" { "source-value" 8.00367423 "source-unit" "angstrom" } "beta" { "source-value" 96.55175786 "source-unit" "degree" } }