{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.757057 0.25 ] [ 0.5 0.242943 0.75 ] [ 0 0.257057 0.25 ] [ 0 0.742943 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.873549 0.943071 ] [ 0.5 0.126451 0.443071 ] [ 0.5 0.873549 0.556929 ] [ 0.5 0.126451 0.056929 ] [ 0 0.928803 0.25 ] [ 0 0.071197 0.75 ] [ 0 0.373549 0.943071 ] [ 0 0.626451 0.443071 ] [ 0 0.373549 0.556929 ] [ 0 0.626451 0.056929 ] [ 0.5 0.428803 0.25 ] [ 0.5 0.571197 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.04175028 "source-unit" "angstrom" } "b" { "source-value" 10.1227564 "source-unit" "angstrom" } "c" { "source-value" 7.4603402 "source-unit" "angstrom" } }