16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-82.15833317262697 stress="-0.000876797759284645 0.00023048590885363433 0.00020419116113447837 0.00023048590885363433 -0.000651370856115927 -0.0003205819356266424 0.00020419116113447837 -0.0003205819356266424 -0.0007459487722945992" pbc="F F F" W 20.91870436 21.04860922 21.20118821 -0.09032571 -0.13512145 0.40478335 W 22.70960170 22.31143450 22.33833517 -6.39109717 4.33266897 6.72842733 W 23.78829595 20.83509776 21.14041416 3.61293418 -5.35049928 -4.83117882 W 25.27812781 22.51878885 22.60054414 3.96470915 1.72018571 -2.87130989 W 21.00812325 23.95894820 21.46238060 -8.50229679 -5.38725105 -4.59072501 W 22.56504129 25.20865944 22.36550211 -10.60522515 23.52676361 15.03292775 W 23.78802619 24.22277084 21.18584377 17.64839230 -11.44768603 -18.06980401 W 25.68362810 25.69581920 22.37277522 -2.69533083 -2.98860000 2.59785776 W 21.26959405 20.96130967 24.03768195 -0.35553270 1.19517379 -0.80295679 W 22.91285063 22.57550460 25.44885634 -3.66953843 -0.33470576 7.19413465 W 23.98657770 20.95774659 24.13946649 -0.54433503 -7.60950383 -2.93315462 W 25.63979664 22.38825682 25.09225101 3.32368160 2.75596971 3.54367647 W 21.19178619 24.17895518 24.29140871 -3.85796038 -2.79751077 -0.83849315 W 22.82674612 25.53253581 25.57390064 -0.33839659 3.42220690 3.10699326 W 23.78091226 24.10609294 23.96603997 8.51900059 -0.45102880 -2.06749595 W 25.43588690 25.10378048 25.57571598 -0.01867903 -0.45106172 -1.60368232