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=-40.307950956327446 stress="-0.00039502042844688013 -0.00011504800043443024 -0.00014683659419647006 -0.00011504800043443024 -0.0003458031538889247 -4.970205954596464e-05 -0.00014683659419647006 -4.970205954596464e-05 -0.00033155113169017035" free_energy=-40.307950956327446 pbc="F F F" Ti 21.00082602 21.24624097 21.14302402 -0.77208297 -1.86022860 -1.18446719 Ti 22.35498893 22.61042859 22.70947124 0.39784140 0.95090691 -0.59110879 Ti 23.85512851 21.05280714 20.91333883 -1.04047030 -1.66014363 -1.53603205 Ti 25.34655491 22.37241235 22.17118145 1.71649688 0.89827254 1.31549054 Ti 20.91049160 23.72286420 20.93858073 -0.95709691 1.97901252 -0.82010554 Ti 22.47288712 25.65488783 22.55988540 -0.06586618 0.29498003 -0.54721516 Ti 23.70245745 23.95416048 20.81425730 0.39014676 0.46795502 -0.89719371 Ti 25.47579495 25.45576863 22.30670340 0.31661460 0.24254091 -0.13777513 Ti 20.87366136 20.96097674 23.78219307 -1.26639436 -1.13606571 1.44629044 Ti 22.71813893 22.44823179 25.69410236 -2.50966174 -0.03194449 1.46902879 Ti 23.65921818 20.88201197 23.93300593 1.06147814 -2.07626108 -0.39733179 Ti 25.22002482 22.27696427 25.41661558 4.12548644 -1.02045701 2.77515876 Ti 20.96512192 24.22586561 24.29391194 -4.25673638 -3.21268668 -2.05911906 Ti 22.22614529 25.52103145 25.27761356 3.75854641 3.41256982 3.18427958 Ti 24.18220204 23.89362841 24.23573857 -3.72256220 1.15208150 -4.67999505 Ti 25.52724172 25.27538150 25.20296332 2.82426041 1.59946795 2.66009537