32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=38.925648595242286 stress="1.2879099494230498e-05 2.1838275801331785e-05 2.7301999482234537e-05 2.1838275801331785e-05 4.4933300982942256e-05 -3.3482678342666233e-06 2.7301999482234537e-05 -3.3482678342666233e-06 -7.0555916530718165e-06" free_energy=38.925648595242286 pbc="F F F" Ti 20.85624032 21.24624097 21.14302402 0.08279859 0.02111158 0.58786932 Ti 22.35498893 22.61042859 21.20947124 -0.70242300 -0.61440614 0.46523444 Ti 22.35512851 21.05280714 22.41333883 -0.70535260 0.86891890 -1.02099685 Ti 20.84655491 22.37241235 22.32230844 0.93882517 -0.68676641 -0.35804467 Ti 23.91049160 20.72286420 20.93858073 0.65973011 0.72699484 0.67858417 Ti 25.15122568 22.65488783 21.32223879 0.19910252 -0.70231102 -0.09285801 Ti 25.05083842 21.37436437 22.31425730 -0.01674202 0.02909112 -0.80028855 Ti 23.98844065 22.53277713 22.39971974 1.34277305 -0.98204333 -0.70873680 Ti 20.87366136 24.17309405 20.78219307 0.40636720 0.10506349 0.83738057 Ti 22.71813893 25.26716069 21.19410236 -0.41718745 -0.19221300 -0.50497350 Ti 22.33096497 23.88201197 22.43300593 -1.34699442 1.28589129 -1.54087155 Ti 20.72002482 25.27696427 22.41661558 0.29020702 -0.53375764 -0.58005513 Ti 23.96512192 24.22586561 21.29391194 1.13611067 0.84848195 -0.26827214 Ti 25.22614529 25.52103145 20.77761356 -0.88328242 -0.23063300 0.40429077 Ti 25.68220204 23.89362841 22.73573857 -0.78658745 0.27767011 -0.64578580 Ti 24.02724172 25.27538150 22.20296332 1.27371505 -0.21488852 -0.99520760 Ti 20.79855991 21.22083292 23.78984966 0.17669687 0.39041170 -0.41656478 Ti 22.48735431 22.42299150 23.90698366 -1.78521259 -0.67588661 1.00980199 Ti 22.68107110 20.82825321 25.63102478 0.49669702 0.42774598 -0.24475726 Ti 21.39589922 22.76120756 25.66904211 0.09177734 -0.41446164 -0.01731406 Ti 24.25226748 20.96431997 24.04396501 0.53690635 0.38515695 1.11534604 Ti 25.57236142 22.70379337 24.23854596 -0.64724486 -0.73958656 0.26068212 Ti 25.26922180 20.78229695 25.51073890 -0.64992723 0.24145639 -0.16981530 Ti 24.18745344 22.52015752 25.23657976 0.86262010 -1.38242392 0.44746893 Ti 21.27711528 23.87871118 23.75213077 -0.63729480 0.34601862 1.28421218 Ti 22.23125112 25.19488764 24.13616082 -1.02519495 -0.02495140 1.29162211 Ti 22.26429260 24.12968218 25.71980528 -0.48899955 1.01019157 -1.05030643 Ti 21.29977655 25.68543805 25.69583843 0.77307000 -0.45772796 -0.02014931 Ti 24.07327937 24.19989723 24.12961200 1.13472008 1.00831018 0.89541137 Ti 25.39627152 25.65720406 23.76564846 -0.09787524 -0.47114303 1.02910582 Ti 25.38507600 24.29768454 25.48273691 -0.20770718 0.42030892 -1.02760045 Ti 23.86065667 25.67089611 25.28645472 -0.00409138 -0.06962342 0.15558836