{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.954492 0.137785 ] [ 0.25 0.045508 0.862215 ] [ 0.75 0.454492 0.362215 ] [ 0.25 0.545508 0.637785 ] [ 0.75 0.277685 0.653634 ] [ 0.25 0.722315 0.346366 ] [ 0.75 0.777685 0.846366 ] [ 0.25 0.222315 0.153634 ] [ 0.75 0.446821 0.852942 ] [ 0.25 0.553179 0.147058 ] [ 0.75 0.946821 0.647058 ] [ 0.25 0.053179 0.352942 ] [ 0.558048 0.867701 0.436836 ] [ 0.058048 0.132299 0.563164 ] [ 0.941952 0.367701 0.063164 ] [ 0.441952 0.632299 0.936836 ] [ 0.441952 0.132299 0.563164 ] [ 0.941952 0.867701 0.436836 ] [ 0.058048 0.632299 0.936836 ] [ 0.558048 0.367701 0.063164 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39730955 "source-unit" "angstrom" } "b" { "source-value" 5.48792206 "source-unit" "angstrom" } "c" { "source-value" 7.42380618 "source-unit" "angstrom" } }