32 Lattice="7.937247680639996 0.0 0.0 0.0 7.937247680639996 0.0 0.0 0.0 7.937247680639996" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.37377361753927 stress="-0.005898958542658835 8.619287205724577e-05 -0.0007604789696909386 8.619287205724577e-05 -0.00598749439245173 4.7829395361386986e-05 -0.0007604789696909386 4.7829395361386986e-05 -0.006058883725354146" free_energy=-118.37377361753927 pbc="F F F" Ti 0.00092342 0.00686097 0.02412608 0.54235533 0.61362393 0.54078340 Ti 2.00222021 1.96081023 0.00459260 -0.08913831 0.05533745 -0.82667660 Ti 1.94678052 0.03163862 1.99426436 0.11535260 -1.08231221 -0.19168654 Ti 0.03288713 2.00550531 1.99190860 -1.11711627 -0.17238285 -0.27798795 Ti 3.99836656 0.01510888 0.00788202 -0.11652861 0.06879058 0.19531541 Ti 5.95520470 1.98170273 0.01095314 -0.19068484 0.11806945 0.06377725 Ti 5.97201338 0.01352811 1.97072478 -0.07225426 0.07561854 0.15527162 Ti 4.00634624 1.95859102 2.02160592 -0.05974242 0.20045977 -0.42769323 Ti 0.00920608 3.95908117 0.01403627 0.24213187 0.02467516 0.23353050 Ti 1.95811917 5.94597536 0.01042745 0.11015767 -0.07780740 0.13720321 Ti 2.02127818 3.96698312 2.01512001 -0.22861806 0.01748125 -0.35936571 Ti 0.06375013 5.98687808 2.00484815 -0.19400035 -0.20942062 -0.17507591 Ti 3.93570271 4.00103586 0.00515330 0.31013696 -0.21565091 -0.94019578 Ti 5.94979651 5.97806333 0.00640676 -0.49635738 -0.53330689 0.42750094 Ti 5.97920040 3.99941019 1.92540162 0.84405582 -0.18735932 0.20561893 Ti 4.02893605 5.93069844 1.96273912 -0.26041667 1.09726784 0.12963604 Ti 0.00375037 0.04370665 4.01195589 -0.08421493 -0.10859478 -0.14315997 Ti 1.95690514 1.97222570 3.99353909 0.30541228 0.25219998 -0.02376664 Ti 2.02393454 0.03956896 5.93174272 -0.20734266 -0.21838653 0.20295831 Ti 0.01472381 2.00816865 5.93854994 -0.02427871 0.05072971 0.17667270 Ti 3.95033935 0.01130946 3.95496102 0.41251822 -1.14417930 -0.01746378 Ti 5.98501150 1.98940996 3.99551793 0.98168571 -0.01453067 -0.18530472 Ti 5.97827391 0.01803460 5.92579611 -0.51802670 0.43557965 -0.55121600 Ti 4.00592232 1.92525133 5.91594559 -0.09828709 0.47457547 1.11423145 Ti 0.00735498 3.95231517 3.95559885 -1.07234549 0.39383091 0.08952305 Ti 1.95669979 5.97720971 3.93181202 0.40229921 0.89265683 0.34967364 Ti 1.94111744 4.04522726 5.92330859 0.36850044 -0.30828113 0.92557987 Ti 0.01588009 5.96350113 5.94164016 0.44878637 -0.46338210 -0.61016871 Ti 3.97851399 3.94191675 3.96525718 0.28054846 0.54813575 0.40560240 Ti 5.98035271 5.96823118 3.93189768 -0.41411054 -0.46290672 0.30474570 Ti 5.93915984 3.94163416 5.99082319 -0.32639506 0.27081795 -0.35011200 Ti 3.93011029 5.97417085 5.98832253 0.20591741 -0.39134878 -0.57775089