32 Lattice="7.937247230800681 0.0 0.0 0.0 7.937247230800681 0.0 0.0 0.0 7.937247230800681" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.35854967815764 stress="-0.014773094291938927 -0.00039507577054185666 0.001795531514262596 -0.00039507577054185666 -0.013762394940278285 0.0012924107642421079 0.001795531514262596 0.0012924107642421079 -0.014113191384270874" free_energy=-118.35854967815764 pbc="F F F" Ti 0.02935586 0.02026595 0.00142719 0.42123160 0.43237591 0.45918085 Ti 1.94944255 1.99925346 0.01709686 0.15503230 -0.00144687 -1.13278423 Ti 1.95030889 0.03019298 1.98985317 0.10326602 -1.10034801 -0.15391618 Ti 0.01033596 1.99320913 1.94892371 -1.29510137 -0.05317860 -0.06701063 Ti 3.98578779 0.04090961 0.05526876 -0.36077047 -0.39695101 -0.38481538 Ti 5.91716142 1.95596338 0.00669305 0.37167957 0.18003683 -0.20934167 Ti 5.92127783 0.03113857 1.98909520 0.31301459 -0.18594785 0.24585113 Ti 3.98469165 1.95093870 1.94526293 -0.35264247 0.47699647 0.55651160 Ti 0.00678067 4.00981011 0.00485225 -0.06701754 -0.05492559 0.10412615 Ti 1.94549259 5.92955120 0.00087728 0.33264091 -0.09226755 0.17531495 Ti 1.95512894 3.96735510 1.99800471 0.29590009 0.18257073 -0.53579433 Ti 0.04219568 5.98686866 2.02076105 -0.04429369 -0.10115209 -0.04686028 Ti 4.00262216 3.95070807 0.03125287 -0.20351312 0.37273851 -0.97091319 Ti 5.95758658 5.95780550 0.03757244 -0.58162091 -0.62389545 0.60752575 Ti 5.95968180 3.93299336 1.98815969 0.99664279 0.38944271 -0.10911557 Ti 3.98372917 5.93691802 1.99912467 -0.07761067 0.99608649 -0.51429104 Ti 0.01954360 0.05042564 3.94074089 -0.05450004 -0.07386204 0.17581702 Ti 1.95834192 2.02028659 3.94933708 0.48607037 -0.42140075 0.13146811 Ti 2.01786922 0.01190699 5.94898248 -0.12382320 0.11674880 -0.16272427 Ti 0.05215282 2.01522313 5.91549314 -0.18306799 -0.22236358 0.24803551 Ti 3.94933553 0.02888712 3.96063871 0.11346514 -0.96154928 0.04961083 Ti 5.95154568 2.02163322 3.97107272 0.84866194 -0.25958016 0.20429408 Ti 5.91779071 0.00552437 5.91722863 -0.51267612 0.53250873 -0.55115593 Ti 3.97077450 1.97488366 5.92294635 0.13331080 0.20732865 0.93741388 Ti 0.03564012 3.94243036 3.95525629 -1.32908392 0.56334978 0.21628925 Ti 1.99970334 5.92966779 3.96624392 -0.11972235 1.12336820 0.41973369 Ti 1.97792783 3.96647719 5.96398830 0.17069294 0.37664855 0.91807242 Ti 0.01869836 5.96700136 5.94810060 0.63791902 -0.68678196 -0.69463665 Ti 3.94348388 3.98704125 3.93163848 0.32009852 -0.22503933 0.51099696 Ti 5.88742585 5.97346544 3.97227524 0.12772655 -0.09706616 -0.02156777 Ti 5.96457234 4.00393862 5.93781775 -0.29262329 -0.09437801 -0.18550425 Ti 3.99802998 5.96853905 5.98084261 -0.22928602 -0.29806609 -0.21981083