16 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=-39.3528356839 stress="-0.10814624309367613 -0.019539022936608058 -0.0028799016439773287 -0.019539022936608058 -0.10766490327209224 -0.03164059179955429 -0.0028799016439773287 -0.03164059179955429 -0.08929274643428868" pbc="F F F" Ni 0.33026318 -0.16903503 0.01169415 -0.65597067 -1.37028407 -0.74467916 Ti 1.43300593 1.22002482 1.27696427 -0.27157703 0.76522824 2.05763415 Ni 2.91661558 -0.03487808 0.22586561 1.01894569 -1.15047361 -0.43117853 Ti 4.79391194 1.22614529 1.74083672 -0.77444554 0.85764845 -0.13407655 Ti 0.07739010 3.36764009 -0.03309223 -1.39395890 -0.07172337 -0.18768889 Ni 1.73573857 4.52724172 1.27538150 -2.30942930 3.73071484 1.92089013 Ti 2.70296332 3.04877024 0.22083292 2.17030386 -3.03797440 -4.02401006 Ti 4.28984966 4.48735431 1.42299150 3.24094408 2.31251528 -0.65106945 Ni 0.03659566 0.05532969 2.98545728 0.27797028 -0.10448641 -0.18641169 Ti 1.39667325 1.48502850 4.74394446 1.38872521 -0.49587681 0.64014040 Ni 2.87259418 0.25226748 2.96431997 0.03811882 0.19815748 0.69685849 Ni 4.54396501 1.57236142 4.70379337 -1.09743482 0.44316676 -1.17817280 Ti 0.23854596 2.76922180 2.95319307 -1.58220734 1.94020832 -1.08351352 Ni 1.49042159 4.68745344 4.52015752 0.32868833 -0.66993717 -0.46132674 Ti 2.87970777 3.27711528 2.87871118 -1.50361126 -3.97819141 1.99621587 Ni 4.25213077 4.23125112 4.21824351 1.12493858 0.63130790 1.77038836