{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.76418 0.994082 0.225124 ] [ 0.76418 0.505918 0.225124 ] [ 0.23582 0.494082 0.774876 ] [ 0.23582 0.005918 0.774876 ] [ 0.289688 0.75 0.424325 ] [ 0.710312 0.25 0.575675 ] [ 0.211232 0.25 0.357 ] [ 0.788768 0.75 0.643 ] [ 0.270419 0.25 0.072186 ] [ 0.729581 0.75 0.927814 ] [ 0.694137 0.75 0.062632 ] [ 0.046552 0.25 0.132649 ] [ 0.461009 0.25 0.169709 ] [ 0.203494 0.946386 0.330104 ] [ 0.203494 0.553614 0.330104 ] [ 0.836203 0.25 0.411382 ] [ 0.601924 0.75 0.446922 ] [ 0.398076 0.25 0.553078 ] [ 0.163797 0.75 0.588618 ] [ 0.796506 0.446386 0.669896 ] [ 0.796506 0.053614 0.669896 ] [ 0.538991 0.75 0.830291 ] [ 0.953448 0.75 0.867351 ] [ 0.305863 0.25 0.937368 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "Sn" "Sn" "C" "C" "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" 5.30787162 "source-unit" "angstrom" } "b" { "source-value" 6.71044549 "source-unit" "angstrom" } "c" { "source-value" 9.14667248 "source-unit" "angstrom" } "beta" { "source-value" 90.7445075 "source-unit" "degree" } }