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=39.0724354843909 stress="-0.004658181841988906 0.0008037454197428004 -0.001564456782087006 0.0008037454197428004 -0.004078301989658613 0.0031119386073389424 -0.001564456782087006 0.0031119386073389424 -0.004888311930152509" pbc="F F F" Mn 20.77011362 20.93369533 21.13151512 -2.03671434 -1.53849203 -1.43839855 Mn 22.49861413 22.27280797 22.38068749 -13.06399016 14.09067808 17.28017096 Mn 23.90542621 21.00582394 21.09615443 10.20992744 -19.08097398 -13.33932266 Mn 25.56153459 22.48464772 22.37834049 173.75672210 -140.89069801 171.90994388 Mn 20.93667498 24.29387813 21.18977955 -2.28630102 -2.94027458 -4.14274748 Mn 22.54195200 25.47246851 22.71446393 32.46541127 29.46175343 -29.71508675 Mn 24.39305996 23.44164209 21.18954733 -168.71616302 142.99042397 -177.30151878 Mn 25.33084457 25.20727878 22.68006535 52.34672180 60.62576145 -49.28356417 Mn 20.88280824 20.80286157 24.02406629 0.47809948 0.28052736 -0.56135971 Mn 22.10170709 22.77121920 25.47427665 4.61780545 -3.96506886 3.86642320 Mn 24.09242282 20.92720478 24.25853288 -1.58251982 0.64816571 -1.70049894 Mn 25.41307348 22.65733209 25.75976464 0.77883184 -2.49538133 1.55823702 Mn 21.10506069 24.24618764 23.79872882 -40.08500953 -29.36976435 13.68063442 Mn 22.53983387 25.57848612 25.16264068 7.01685074 6.47181844 13.77170534 Mn 24.19430284 23.93333352 23.86658663 -53.56577999 -56.86097589 55.93507941 Mn 25.62889631 25.22931490 25.75077816 -0.33389223 2.57250059 -0.51969717