O2 in a big box, relaxed 1.00000000000000 20.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.0000000000000000 O 2 Direct 0.5000000000000000 0.5000000000000000 0.4691391136143035 0.5000000000000000 0.5000000000000000 0.5308608863856964 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00