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:Z:I:1:forces:R:3 energy=451.16892186777653 pbc="F F F" Ti 0.46916604 0.07826106 0.38155559 22 -94.13357661 -107.52102631 -102.58007035 Ti 1.62680775 1.65884246 1.74939942 22 -72.76564541 58.46497198 -115.51081505 Ti 3.20215892 0.15101284 0.02336743 22 6.77946263 -36.76591325 -44.16536521 Ti 4.75312691 1.51853895 1.69665065 22 349.60639148 199.17120812 -221.84022430 Ti 0.05278737 3.18219864 0.24554139 22 -327.63187860 -234.67076962 -296.28889395 Ti 1.46166030 4.33996775 1.49388187 22 149.58339319 397.12958542 159.78536923 Ti 3.17921951 2.95367303 -0.21265878 22 -70.36777532 -61.82962971 -120.56602462 Ti 4.52809071 4.22508857 1.32745872 22 327.10805657 269.43843469 -152.02295464 Ti 0.23844060 0.14857425 3.17697911 22 -118.15897766 -179.04762234 -21.73735972 Ti 1.45355469 1.72811723 4.52313664 22 153.81675329 1.93579166 184.11951058 Ti 3.26722750 0.29456102 2.81719040 22 -256.62754706 -425.33520687 181.09469607 Ti 4.49088700 1.45785509 4.49764003 22 91.35688158 75.61498106 137.23666019 Ti -0.25092100 2.76581471 3.15703673 22 -144.32002817 102.73994781 -44.36478561 Ti 1.77833565 4.34115230 4.67249122 22 -21.39273493 56.98414288 36.83847439 Ti 3.09623524 3.21284640 2.73061470 22 12.55926655 -124.96001690 410.83038631 Ti 4.69117260 4.49805930 4.60506431 22 14.58795847 8.65112139 9.17139667