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=-43.61738087317386 stress="-64.87044364688788 7.750784605666357 8.628820715269153 7.750784605666357 -42.65845848242212 -17.38451604020139 8.628820715269153 -17.38451604020139 -49.57649826674442" pbc="F F F" Ti -0.08129564 0.04860922 0.20118821 -0.75633647 -0.35131460 -0.34874856 Ti 1.70960170 1.31143450 1.33833517 -3.94580939 3.54512005 3.42539759 Ti 2.78829595 -0.16490224 0.14041416 2.60043108 -4.52103285 -3.54606769 Ti 4.27812781 1.79098848 1.26215777 4.84516056 -2.88057150 1.66981057 Ti -0.12320595 2.95894820 0.33392310 -2.95790012 -2.05172259 -1.51957924 Ti 1.56504129 4.20865944 1.36550211 -9.18759726 13.13838329 6.96050582 Ti 2.78802619 3.22277084 0.18584377 7.57125371 -4.35736169 -13.83881057 Ti 4.40955323 4.48086654 1.83050726 2.56584139 2.32281224 -1.09825262 Ti 0.26959405 0.17626233 3.05691201 -2.53145190 -1.21107444 -0.64755500 Ti 1.79339672 1.28792533 4.65300231 -1.36046113 2.72617353 4.31257835 Ti 2.98657770 -0.04225341 3.13946649 1.88518134 -3.95109190 -2.77272105 Ti 4.45789336 1.38825682 4.50213148 1.37047778 1.78820811 0.44775275 Ti 0.19178619 3.17895518 3.29140871 -3.05443505 -1.68355653 -0.21695319 Ti 1.79645686 4.53253581 4.64904689 -3.16287920 2.17729104 2.80506461 Ti 2.78091226 3.10609294 2.96603997 1.81047656 -5.35919730 2.76571090 Ti 4.12781522 4.53376851 4.43846973 4.30804809 0.66893513 1.60186733