32 Lattice="7.956049962558467 0.0 0.0 0.0 7.956049962558467 0.0 0.0 0.0 7.956049962558467" Properties=species:S:1:pos:R:3:forces:R:3 energy=-174.06296435954872 stress="1.3076808408254492 -0.4821130974798491 0.8042971874225362 -0.4821130974798491 2.8515099867827676 0.8153285133444506 0.8042971874225362 0.8153285133444506 3.3958529319969886" pbc="F F F" Nb -0.02945956 -0.02639413 0.03615670 0.79439543 0.70363152 0.83227693 Nb 2.00183420 1.92390374 -0.02638130 -0.10005728 -0.02821826 -1.12901317 Nb 1.93898869 -0.02330270 1.95924823 0.04842921 -1.10488754 -0.01802591 Nb 0.02942676 2.01371500 1.96554738 -1.31294107 -0.14906278 -0.18955819 Nb 3.93585476 -0.00203464 -0.02902155 0.07765259 0.60679586 0.70487475 Nb 5.97950088 1.99406270 -0.00650911 -0.42023289 -0.20017686 0.48746215 Nb 5.97317550 -0.03909713 2.05055655 -0.66277612 0.57680798 0.05746525 Nb 4.00506601 2.02355558 1.96535009 0.18934848 -1.20521950 -0.42166058 Nb 0.01526659 3.98096792 -0.02909594 0.52831583 0.06928370 0.57604688 Nb 2.02980046 5.96878788 0.01391264 -0.18835809 -0.47849753 0.43789998 Nb 2.01881213 3.99999082 1.98600056 -0.71963992 0.51994471 -0.65296501 Nb 0.00304922 5.98423140 1.94980695 0.57984721 -0.57985622 -0.01234463 Nb 3.99388375 3.94235815 0.02454646 0.06756014 0.30184310 -1.70916903 Nb 6.00261515 5.97187725 0.03283514 -0.68421169 -0.65341115 0.75042611 Nb 5.93340160 3.93886252 1.95890741 1.52666847 0.53436497 0.08452714 Nb 3.96439404 5.97670499 2.00581258 0.30157654 1.23156097 -0.02085378 Nb 0.01830872 -0.03471366 3.97510883 0.59842386 0.57341700 0.00240800 Nb 2.00202163 2.02602218 3.94064061 -0.58649153 -0.93066896 0.50561729 Nb 1.96295547 0.01856207 5.96130616 -0.19319838 0.57993252 -0.56149241 Nb 0.00943537 2.02057067 5.93925215 0.41420953 -0.17592054 -0.42376105 Nb 4.00086656 0.02776394 4.01809671 -0.01097368 -1.24947581 -0.08695629 Nb 5.96334217 1.94759423 3.94751589 1.36169647 0.08293829 0.24370479 Nb 5.94879008 -0.02602734 5.96781288 -0.71179984 0.85865132 -0.94739166 Nb 3.99816413 1.99784563 5.98499954 0.23285450 -0.24781209 1.29991792 Nb -0.01126045 3.98473259 3.97047450 -1.25252889 0.17404106 0.09992230 Nb 1.98892792 5.94493306 4.00846600 -0.25887237 1.36620443 0.10703924 Nb 2.01108897 3.95120378 5.93502101 -0.37990093 0.12946712 1.62218097 Nb 0.02758100 6.00662737 5.97804830 0.72628432 -0.68545088 -0.82352766 Nb 3.96926207 3.95848788 4.01473846 1.06289968 0.70993792 0.32615152 Nb 6.00345744 6.00608365 3.97946449 -0.66730995 -0.84962533 0.00191514 Nb 5.97775726 4.01737650 5.97475609 -0.54484233 -0.08875482 -0.64166569 Nb 3.97638378 5.98591784 5.94000398 0.18397269 -0.39178421 -0.50145131