{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.999387 0.956444 0.75 ] [ 0.500613 0.456444 0.75 ] [ 0.499387 0.543556 0.25 ] [ 0.000613 0.043556 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.135567 0.413011 0.25 ] [ 0.171308 0.176404 0.571941 ] [ 0.171308 0.176404 0.928059 ] [ 0.328692 0.676404 0.571941 ] [ 0.328692 0.676404 0.928059 ] [ 0.364433 0.913011 0.25 ] [ 0.635567 0.086989 0.75 ] [ 0.671308 0.323596 0.071941 ] [ 0.671308 0.323596 0.428059 ] [ 0.828692 0.823596 0.071941 ] [ 0.828692 0.823596 0.428059 ] [ 0.864433 0.586989 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "Sn" "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" 5.331653 "source-unit" "angstrom" } "b" { "source-value" 5.45690834 "source-unit" "angstrom" } "c" { "source-value" 7.83945362 "source-unit" "angstrom" } }