{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.179587 0.393888 0.650256 ] [ 0.179587 0.606112 0.150256 ] [ 0.820413 0.393888 0.849744 ] [ 0.820413 0.606112 0.349744 ] [ 0.679587 0.893888 0.650256 ] [ 0.679587 0.106112 0.150256 ] [ 0.320413 0.893888 0.849744 ] [ 0.320413 0.106112 0.349744 ] [ 0.1127 0.91632 0.51393 ] [ 0.1127 0.08368 0.01393 ] [ 0.8873 0.91632 0.98607 ] [ 0.8873 0.08368 0.48607 ] [ 0 0.691349 0.75 ] [ 0 0.308651 0.25 ] [ 0.6127 0.41632 0.51393 ] [ 0.6127 0.58368 0.01393 ] [ 0.3873 0.41632 0.98607 ] [ 0.3873 0.58368 0.48607 ] [ 0.5 0.191349 0.75 ] [ 0.5 0.808651 0.25 ] [ 0.024465 0.906307 0.909409 ] [ 0.060227 0.556653 0.901474 ] [ 0.024465 0.093693 0.409409 ] [ 0.060227 0.443347 0.401474 ] [ 0.126731 0.747437 0.678335 ] [ 0.135889 0.197781 0.848616 ] [ 0.126731 0.252563 0.178335 ] [ 0.135889 0.802219 0.348616 ] [ 0.217361 0.045734 0.577723 ] [ 0.217361 0.954266 0.077723 ] [ 0.782639 0.045734 0.922277 ] [ 0.782639 0.954266 0.422277 ] [ 0.864111 0.197781 0.651384 ] [ 0.873269 0.747437 0.821665 ] [ 0.864111 0.802219 0.151384 ] [ 0.873269 0.252563 0.321665 ] [ 0.939773 0.556653 0.598526 ] [ 0.975535 0.906307 0.590591 ] [ 0.939773 0.443347 0.098526 ] [ 0.975535 0.093693 0.090591 ] [ 0.524465 0.406307 0.909409 ] [ 0.560227 0.056653 0.901474 ] [ 0.524465 0.593693 0.409409 ] [ 0.560227 0.943347 0.401474 ] [ 0.626731 0.247437 0.678335 ] [ 0.635889 0.697781 0.848616 ] [ 0.626731 0.752563 0.178335 ] [ 0.635889 0.302219 0.348616 ] [ 0.717361 0.545734 0.577723 ] [ 0.717361 0.454266 0.077723 ] [ 0.282639 0.545734 0.922277 ] [ 0.282639 0.454266 0.422277 ] [ 0.364111 0.697781 0.651384 ] [ 0.373269 0.247437 0.821665 ] [ 0.364111 0.302219 0.151384 ] [ 0.373269 0.752563 0.321665 ] [ 0.439773 0.056653 0.598526 ] [ 0.475535 0.406307 0.590591 ] [ 0.439773 0.943347 0.098526 ] [ 0.475535 0.593693 0.090591 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" "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" 13.84106874 "source-unit" "angstrom" } "b" { "source-value" 7.95814563 "source-unit" "angstrom" } "c" { "source-value" 8.5965082 "source-unit" "angstrom" } "beta" { "source-value" 100.91379323 "source-unit" "degree" } }