{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.976183 0.5 0.731397 ] [ 0.539244 0.5 0.219914 ] [ 0.451329 0 0.771618 ] [ 0.031234 0 0.278652 ] [ 0.917316 0 0.604303 ] [ 0.607119 0 0.095455 ] [ 0.40768 0.5 0.902664 ] [ 0.06721 0.5 0.407771 ] [ 0.85728 0 0.445268 ] [ 0.777546 0.202191 0.664605 ] [ 0.777546 0.797809 0.664605 ] [ 0.772548 0.5 0.385556 ] [ 0.703593 0.5 0.882628 ] [ 0.759367 0.192267 0.170461 ] [ 0.759367 0.807733 0.170461 ] [ 0.642742 0 0.950625 ] [ 0.33675 0.5 0.048698 ] [ 0.26279 0.696611 0.82787 ] [ 0.26279 0.303389 0.82787 ] [ 0.313715 0 0.139652 ] [ 0.215775 0 0.60976 ] [ 0.19698 0.705492 0.327223 ] [ 0.19698 0.294508 0.327223 ] [ 0.166918 0.5 0.545719 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Nb" "P" "P" "P" "P" "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" 5.06582998 "source-unit" "angstrom" } "b" { "source-value" 6.0671495 "source-unit" "angstrom" } "c" { "source-value" 10.1713898 "source-unit" "angstrom" } "beta" { "source-value" 90.10523821 "source-unit" "degree" } }