{ "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" [ [ 0.237178 0.75 0.082407 ] [ 0.746625 0.991101 0.261563 ] [ 0.746625 0.508899 0.261563 ] [ 0.253375 0.491101 0.738437 ] [ 0.253375 0.008899 0.738437 ] [ 0.762822 0.25 0.917593 ] [ 0.216296 0.25 0.334757 ] [ 0.783704 0.75 0.665243 ] [ 0.281578 0.75 0.429804 ] [ 0.718422 0.25 0.570196 ] [ 0.269529 0.25 0.068258 ] [ 0.730471 0.75 0.931742 ] [ 0.697029 0.75 0.078362 ] [ 0.034226 0.25 0.136128 ] [ 0.466125 0.25 0.17907 ] [ 0.218428 0.947646 0.318049 ] [ 0.218428 0.552354 0.318049 ] [ 0.5873 0.75 0.479235 ] [ 0.887624 0.25 0.422933 ] [ 0.112376 0.75 0.577067 ] [ 0.4127 0.25 0.520765 ] [ 0.781572 0.447646 0.681951 ] [ 0.781572 0.052354 0.681951 ] [ 0.533875 0.75 0.82093 ] [ 0.965774 0.75 0.863872 ] [ 0.302971 0.25 0.921638 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Si" "Si" "B" "B" "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" 5.26979404 "source-unit" "angstrom" } "b" { "source-value" 6.47429529 "source-unit" "angstrom" } "c" { "source-value" 8.97862025 "source-unit" "angstrom" } "beta" { "source-value" 92.23536272 "source-unit" "degree" } }