32 Lattice="7.937251286534812 0.0 0.0 0.0 7.937251286534812 0.0 0.0 0.0 7.937251286534812" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.37377671637745 stress="-0.005898081055731642 8.583262281637795e-05 -0.0007604488957686065 8.583262281637795e-05 -0.005986895829428287 4.699599579632323e-05 -0.0007604488957686065 4.699599579632323e-05 -0.006058133370054646" free_energy=-118.37377671637745 pbc="F F F" Ti 0.00092342 0.00686097 0.02412610 0.54235938 0.61362637 0.54076276 Ti 2.00222113 1.96081111 0.00459261 -0.08914901 0.05531318 -0.82661444 Ti 1.94678139 0.03163864 1.99426527 0.11541030 -1.08232922 -0.19165055 Ti 0.03288716 2.00550623 1.99190951 -1.11705056 -0.17234283 -0.27791944 Ti 3.99836839 0.01510889 0.00788202 -0.11654992 0.06882852 0.19532812 Ti 5.95520741 1.98170363 0.01095315 -0.19069518 0.11806119 0.06375847 Ti 5.97201610 0.01352812 1.97072567 -0.07223034 0.07557842 0.15525448 Ti 4.00634807 1.95859190 2.02160686 -0.05984466 0.20048915 -0.42765707 Ti 0.00920609 3.95908297 0.01403628 0.24216513 0.02467406 0.23358735 Ti 1.95812005 5.94597806 0.01042746 0.11013023 -0.07778799 0.13715162 Ti 2.02127911 3.96698492 2.01512094 -0.22863678 0.01743334 -0.35939141 Ti 0.06375018 5.98688081 2.00484907 -0.19401085 -0.20946267 -0.17508543 Ti 3.93570449 4.00103769 0.00515330 0.31013100 -0.21565711 -0.94017749 Ti 5.94979921 5.97806606 0.00640677 -0.49631805 -0.53333513 0.42749489 Ti 5.97920312 3.99941201 1.92540248 0.84399115 -0.18733205 0.20559372 Ti 4.02893790 5.93070113 1.96274000 -0.26036541 1.09723908 0.12971283 Ti 0.00375037 0.04370669 4.01195773 -0.08419905 -0.10856786 -0.14317773 Ti 1.95690602 1.97222659 3.99354091 0.30544739 0.25216677 -0.02385115 Ti 2.02393547 0.03956899 5.93174541 -0.20734540 -0.21834172 0.20292785 Ti 0.01472382 2.00816957 5.93855263 -0.02427744 0.05075472 0.17667091 Ti 3.95034114 0.01130947 3.95496281 0.41246190 -1.14411461 -0.01755545 Ti 5.98501423 1.98941086 3.99551975 0.98166116 -0.01456859 -0.18528651 Ti 5.97827663 0.01803462 5.92579879 -0.51802063 0.43558710 -0.55119887 Ti 4.00592415 1.92525218 5.91594827 -0.09830805 0.47451361 1.11423300 Ti 0.00735499 3.95231696 3.95560064 -1.07230866 0.39376209 0.08947789 Ti 1.95670066 5.97721243 3.93181379 0.40230690 0.89268633 0.34968580 Ti 1.94111830 4.04522913 5.92331127 0.36842647 -0.30826690 0.92558068 Ti 0.01588010 5.96350384 5.94164286 0.44881517 -0.46338892 -0.61012672 Ti 3.97851580 3.94191853 3.96525898 0.28050416 0.54807540 0.40553082 Ti 5.98035544 5.96823390 3.93189945 -0.41407920 -0.46285484 0.30477520 Ti 5.93916253 3.94163594 5.99082592 -0.32629834 0.27087708 -0.35005885 Ti 3.93011206 5.97417357 5.98832526 0.20587720 -0.39131598 -0.57777526