{ "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" [ [ 0.759209 0.25 0.082657 ] [ 0.240616 0.00231 0.254854 ] [ 0.240616 0.49769 0.254854 ] [ 0.759384 0.50231 0.745146 ] [ 0.759384 0.99769 0.745146 ] [ 0.240791 0.75 0.917343 ] [ 0.760576 0.75 0.370745 ] [ 0.239424 0.25 0.629255 ] [ 0.703343 0.25 0.401448 ] [ 0.296657 0.75 0.598552 ] [ 0.735159 0.75 0.050891 ] [ 0.264841 0.25 0.949109 ] [ 0.283647 0.25 0.08618 ] [ 0.955998 0.75 0.111114 ] [ 0.530017 0.75 0.126792 ] [ 0.810973 0.079771 0.318557 ] [ 0.810973 0.420229 0.318557 ] [ 0.412073 0.25 0.390135 ] [ 0.223925 0.75 0.438504 ] [ 0.776075 0.25 0.561496 ] [ 0.587927 0.75 0.609865 ] [ 0.189027 0.579771 0.681443 ] [ 0.189027 0.920229 0.681443 ] [ 0.469983 0.25 0.873208 ] [ 0.044002 0.25 0.888886 ] [ 0.716353 0.75 0.91382 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Tl" "Tl" "P" "P" "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" 5.33310445 "source-unit" "angstrom" } "b" { "source-value" 7.21440605 "source-unit" "angstrom" } "c" { "source-value" 9.46301925 "source-unit" "angstrom" } "beta" { "source-value" 90.30824005 "source-unit" "degree" } }