32 Lattice="7.937251293623181 0.0 0.0 0.0 7.937251293623181 0.0 0.0 0.0 7.937251293623181" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.35856105150911 stress="-0.0147733159434038 -0.0003948293239904237 0.0017956832464994593 -0.0003948293239904237 -0.013762542353509486 0.0012927658252484416 0.0017956832464994593 0.0012927658252484416 -0.014112830051380908" free_energy=-118.35856105150911 pbc="F F F" Ti 0.02935588 0.02026596 0.00142720 0.42122626 0.43239018 0.45921627 Ti 1.94944354 1.99925449 0.01709687 0.15505889 -0.00146081 -1.13271781 Ti 1.95030988 0.03019300 1.98985419 0.10326535 -1.10033639 -0.15388260 Ti 0.01033597 1.99321015 1.94892470 -1.29513713 -0.05319301 -0.06698424 Ti 3.98578983 0.04090964 0.05526880 -0.36072353 -0.39696580 -0.38480440 Ti 5.91716445 1.95596437 0.00669305 0.37162930 0.18002359 -0.20929546 Ti 5.92128085 0.03113859 1.98909622 0.31295447 -0.18591133 0.24585840 Ti 3.98469370 1.95093969 1.94526392 -0.35262651 0.47700510 0.55651883 Ti 0.00678068 4.00981217 0.00485225 -0.06702413 -0.05492526 0.10410817 Ti 1.94549357 5.92955423 0.00087728 0.33270079 -0.09220765 0.17527192 Ti 1.95512993 3.96735713 1.99800574 0.29596831 0.18246386 -0.53582144 Ti 0.04219571 5.98687173 2.02076209 -0.04436533 -0.10113365 -0.04687117 Ti 4.00262422 3.95071009 0.03125290 -0.20353143 0.37272018 -0.97086931 Ti 5.95758963 5.95780855 0.03757246 -0.58164003 -0.62386677 0.60752039 Ti 5.95968485 3.93299537 1.98816071 0.99662127 0.38940427 -0.10919651 Ti 3.98373122 5.93692106 1.99912569 -0.07755043 0.99606553 -0.51432075 Ti 0.01954361 0.05042567 3.94074290 -0.05444075 -0.07382399 0.17577077 Ti 1.95834291 2.02028763 3.94933910 0.48603706 -0.42142504 0.13146245 Ti 2.01787026 0.01190700 5.94898552 -0.12387604 0.11674955 -0.16271684 Ti 0.05215286 2.01522417 5.91549616 -0.18304376 -0.22238164 0.24799722 Ti 3.94933755 0.02888714 3.96064073 0.11349497 -0.96147611 0.04953694 Ti 5.95154873 2.02163426 3.97107475 0.84860679 -0.25956144 0.20420348 Ti 5.91779374 0.00552437 5.91723165 -0.51259606 0.53244801 -0.55109449 Ti 3.97077654 1.97488467 5.92294937 0.13328313 0.20736972 0.93744063 Ti 0.03564014 3.94243237 3.95525831 -1.32909324 0.56329302 0.21629467 Ti 1.99970437 5.92967082 3.96624595 -0.11974454 1.12351060 0.41976591 Ti 1.97792884 3.96647922 5.96399136 0.17070580 0.37664213 0.91811801 Ti 0.01869838 5.96700442 5.94810365 0.63785943 -0.68678903 -0.69462749 Ti 3.94348590 3.98704330 3.93164048 0.32011502 -0.22507789 0.51093609 Ti 5.88742885 5.97346851 3.97227727 0.12776751 -0.09704627 -0.02150008 Ti 5.96457539 4.00394068 5.93782078 -0.29262408 -0.09441872 -0.18550987 Ti 3.99803203 5.96854211 5.98084568 -0.22927732 -0.29808496 -0.21980770