32 Lattice="48.05523872375488 0.0 0.0 0.0 48.05523872375488 0.0 0.0 0.0 48.05523872375488" Properties=species:S:1:pos:R:3:forces:R:3 energy=44.089238741316265 stress="0.00011515119402244912 6.648252432455406e-07 5.411700989309698e-06 6.648252432455406e-07 9.32931936785399e-05 -8.557450037024207e-06 5.411700989309698e-06 -8.557450037024207e-06 0.00010463895635976128" free_energy=44.089238741316265 pbc="F F F" Ti 24.14680604 23.90677681 24.11964319 0.21657537 0.34772589 0.33014954 Ti 25.91843725 25.62315164 24.07162531 -0.15984951 -0.95545975 1.04702796 Ti 25.67166025 23.89974845 25.63755485 -0.58249763 0.83607249 -1.04115948 Ti 23.87954306 25.66928755 25.51293139 0.99350840 -0.41515682 -0.33402591 Ti 27.40895369 23.82099786 24.15669255 0.43134646 0.73337083 0.67298268 Ti 29.22629944 25.37543769 24.16454505 -0.71441673 -0.20814476 0.69222293 Ti 29.02160935 24.01798657 25.77119216 -0.37855628 0.59501225 -0.48301869 Ti 27.37656953 25.63859569 25.71135850 0.48766353 -0.95818611 -1.00522682 Ti 23.84611359 27.64191885 23.83358660 0.38165193 0.58047211 0.33998690 Ti 25.90562985 29.03553242 23.92929600 -0.33571943 -0.40695323 0.32381102 Ti 25.68804949 27.22682376 25.55801478 -0.33763280 0.27684476 -0.56807616 Ti 23.87410858 29.14732987 25.93209923 -0.09597593 -0.42312702 -0.22228521 Ti 27.70506303 27.23192416 24.04514557 0.12226675 0.30116191 0.60888544 Ti 29.20970073 29.32822998 23.93897637 0.25179024 -0.47352205 0.07093508 Ti 29.37284375 27.48283784 25.55669580 -0.46929469 0.25911988 -0.83118122 Ti 27.21260585 29.05045578 25.92790532 0.22328885 -0.27473979 -0.01151606 Ti 24.02753870 24.01708128 27.57272709 0.32438842 0.38081976 0.53810435 Ti 25.66636427 25.89477047 27.31701409 -0.64912978 -0.49087507 0.50413716 Ti 25.81113763 24.11091311 29.39406790 -0.45886823 0.40526234 -0.53748951 Ti 24.28418956 25.95410079 29.14666158 0.31183809 -0.74069821 -0.53461420 Ti 27.49677392 24.08792055 27.62996422 0.99193722 0.73898312 0.59564276 Ti 29.37518324 25.55156272 27.27871721 -0.85420845 -1.01534174 0.39444519 Ti 29.19332024 24.31475106 29.19319287 -0.15467343 0.19944023 -0.42530490 Ti 27.35989289 25.97480729 29.07532092 0.44873055 -0.40393799 -0.27042147 Ti 23.82106167 27.23617902 27.22533934 0.43743155 -0.14347339 -0.32625733 Ti 25.85734524 28.97997211 27.56820490 0.30416426 -0.15777607 0.51724729 Ti 25.92704895 27.70995020 29.33092665 0.06461454 0.45760900 -0.67544547 Ti 23.98979388 29.23746108 29.34297597 0.20205259 0.21645225 0.35434827 Ti 27.56017019 27.35535191 27.59113980 0.06069630 1.54350437 1.32343002 Ti 28.98110199 29.08062494 27.70820686 -0.66374694 -0.38431891 0.54525706 Ti 29.16200903 27.34401697 29.31880837 -0.87476712 0.58534816 -0.74815178 Ti 27.43522911 28.92823092 28.94102732 0.47539190 -1.00548842 -0.84443941