16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-57.7556163281247 stress="-12.091918775437767 0.690925656775569 2.525647441869971 0.690925656775569 -15.597595139943278 -1.267022088690318 2.525647441869971 -1.267022088690318 -16.421544364589593" pbc="F F F" Ti 0.41831215 0.00236605 0.10913947 -0.12976582 -0.36184254 -0.40989567 Ti 1.46431997 1.54396501 1.54900555 2.92178027 -2.12100915 -0.39021213 Ti 3.20379337 0.47977496 -0.20876527 -0.57235398 -0.72318543 -0.84895481 Ti 4.28229695 1.52031036 1.68745344 2.47297852 0.61255664 -1.84302821 Ti 0.02015752 2.87970777 0.27711528 -2.89484275 -0.75129957 -3.27764667 Ti 1.37871118 4.25213077 1.23125112 1.80010466 3.73777785 1.48037212 Ti 2.71824351 3.13616082 -0.23570740 1.63770476 -0.33174454 -0.99037298 Ti 4.62968218 4.71980528 1.79977655 -0.65260965 -0.74816331 0.65875885 Ti 0.11078046 -0.05972782 2.88771043 -0.08030944 -0.44945264 0.13298012 Ti 1.74365894 1.62961200 4.37425859 -0.01352118 -1.15105190 1.55616787 Ti 3.15720406 -0.23435154 2.60559130 -0.90062837 -1.35624990 0.87744552 Ti 4.79768454 1.67547681 4.36065667 0.77106992 -0.37628190 1.08710252 Ti 0.17089611 2.77734056 2.70220318 -3.71072410 0.45648334 2.77399338 Ti 1.21755886 4.35541431 4.16089815 0.97003237 0.63066377 0.25108164 Ti 3.31567542 2.84838096 3.09441828 -1.08551927 3.60494332 0.00899715 Ti 4.71211731 4.44968690 4.79594673 -0.53339593 -0.67214405 -1.06678869