32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=26.178921776676415 stress="-337.53057072393307 -11.756404627152119 -1.6581334721686076 -11.756404627152119 -334.37266493052914 6.683530920828829 -1.6581334721686076 6.683530920828829 -335.36279827754674" pbc="F F F" Pd 0.11042859 0.20947124 -0.14487149 -4.10647845 -3.58238679 -3.80168265 Pd 1.81516052 1.26171980 -0.15344509 -7.06164608 -1.08962431 -10.81402402 Pd 1.58246590 -0.17769156 1.62260891 -6.32944587 -14.12721566 -5.24516075 Pd -0.27713580 1.38826763 1.54800093 -9.30474543 -1.05371664 -3.59770008 Pd 3.31199242 0.05988540 -0.29754255 -1.89021042 -9.42867492 -8.85765236 Pd 4.66431082 1.30468583 -0.01155935 10.23388225 2.76534252 -9.30939046 Pd 4.53277713 -0.10028026 1.23053335 8.45898713 -9.82674570 4.09572734 Pd 2.96097674 1.28219307 1.71813893 0.74551935 -7.50405301 -11.04933913 Pd -0.23283931 3.17074648 -0.16903503 -4.69064637 -2.83973565 -3.33976190 Pd 1.38201197 4.43300593 -0.27997518 2.40361800 5.34102385 -7.41968784 Pd 1.51819327 2.91661558 1.48713485 -10.21433301 6.50120580 -2.81346572 Pd 0.22586561 4.79391194 1.22614529 -4.44547295 6.88872293 1.97997397 Pd 2.83737493 2.77761356 0.18220204 1.71287191 4.27358745 -19.21839632 Pd 4.39362841 4.73573857 0.02724172 3.76469718 3.01628560 -4.60822129 Pd 4.27538150 2.70296332 1.34887301 21.13079253 3.75957905 -4.52367666 Pd 3.22083292 4.28984966 1.41269671 -3.04922326 17.55618812 1.11102897 Pd -0.07700850 -0.09301634 3.16673385 -5.17093495 -6.45738682 1.45878073 Pd 1.32825321 1.63102478 2.91438356 -12.34655480 0.80678145 4.23724896 Pd 1.76120756 0.01193751 4.75226748 -5.06272661 -8.13221162 9.28185037 Pd -0.03568003 1.58772671 4.57236142 -5.80150865 0.64097631 6.03231616 Pd 2.92430867 0.23854596 2.96196170 4.66971566 -22.26943225 2.16618344 Pd 4.28229695 1.52031036 3.18745344 23.62078920 -5.84424690 4.49484323 Pd 4.52015752 -0.12029223 4.77711528 3.13836747 -2.65315046 2.65960011 Pd 2.68594050 1.01385745 4.23125112 0.55438144 0.35164936 18.63808341 Pd -0.28175649 3.18948286 2.76429260 -9.64265906 2.32409340 1.54838047 Pd 1.51404691 4.71980528 3.29977655 -0.67938700 11.13781687 -9.44833737 Pd 1.68543805 3.18571631 4.57327937 -3.10986933 -6.45162533 12.29587000 Pd 0.19989723 4.62961200 4.37425859 -8.95524377 4.43739461 5.96045287 Pd 3.15720406 2.76564846 2.88507600 -2.27359538 12.60223557 7.42879351 Pd 4.79768454 4.48273691 2.85881688 5.71311024 6.89448608 0.44423588 Pd 4.67089611 2.97011124 4.20220318 8.62552554 3.17212252 11.65019085 Pd 2.71755886 4.35541431 4.39917148 9.36242351 8.79071457 8.56293626