32 Lattice="8.124696231062444 0.0 0.0 0.0 8.124696231062444 0.0 0.0 0.0 8.124696231062444" Properties=species:S:1:pos:R:3:forces:R:3 energy=-104.80329305944295 stress="-0.00733009841287271 0.00014696707196166676 -0.0008853283121791047 0.00014696707196166676 -0.01158645716477134 -1.606685914863558e-05 -0.0008853283121791047 -1.606685914863558e-05 -0.009955597315326636" pbc="F F F" U 0.03567434 0.03862482 0.01212873 0.81832485 0.68194950 0.76902055 U 2.02531988 2.01160146 0.00227167 -0.43446115 -0.28932111 -1.52315436 U 2.03185274 0.00516389 2.01156161 -0.27216125 -1.35497437 -0.23614385 U 0.03315177 1.99933358 2.05274491 -1.52866455 -0.40245299 -0.33129877 U 4.09561691 0.03921569 0.03406638 0.21475658 0.17657557 0.32209085 U 6.07125615 2.06974729 0.00894240 -0.24987452 -0.03795237 0.19730679 U 6.08073572 0.01974478 2.03135572 -0.35719345 0.21552186 -0.19057798 U 4.06395508 2.06728463 2.02928264 0.57858374 -0.89656121 -0.65372871 U 0.02183288 4.02467887 0.02937588 0.34578603 0.26751922 0.29096373 U 2.02925833 6.12280788 0.03473611 -0.04661000 -0.42339248 0.47720577 U 2.05630482 4.04788859 2.05467298 -0.62878845 0.93230696 -0.92097054 U 0.01033994 6.05417207 2.01275464 0.39168987 -0.24214481 -0.21497978 U 4.09196461 4.02236662 0.02763143 0.43027563 0.57677387 -1.33566432 U 6.10735056 6.13278515 0.02489600 -1.11518384 -0.95162872 1.08881383 U 6.11877079 4.02736869 2.06887170 1.32538670 0.61032477 -0.38961413 U 4.09987356 6.12829104 2.02230430 0.46529778 1.07830097 -0.45597222 U 0.00122546 0.02383365 4.04920407 0.35301485 0.27683833 0.13111679 U 2.02390267 2.06859712 4.08682842 -0.64758916 -0.95663790 0.70038227 U 2.00284908 0.02906329 6.09862316 -0.19049628 0.30464480 -0.40376189 U 0.03355698 2.06646192 6.09462723 0.34062097 -0.14890490 -0.18986901 U 4.04122111 0.00856968 4.09311547 0.22051104 -1.40026943 0.32223632 U 6.05320121 2.02453715 4.04762540 1.68621912 -0.41186967 0.28863847 U 6.05962450 0.04061081 6.06813145 -0.83465837 0.68378248 -0.76633013 U 4.09770457 2.05381295 6.07389606 0.36849518 -0.32085358 1.63786491 U 0.03173869 4.08882284 4.04417238 -1.53638167 0.54816346 0.46406243 U 2.01747827 6.12073822 4.02209594 -0.24137680 1.23486202 0.49118137 U 2.00508860 4.04153352 6.10752376 -0.38432082 0.53990219 1.32633613 U 0.00351326 6.11093806 6.06602191 1.03127281 -0.93226322 -0.94116961 U 4.03786786 4.04101161 4.05610967 0.68325417 1.22890897 0.78190915 U 6.11384816 6.09948831 4.08585506 -0.60565960 -0.43729671 0.13386985 U 6.06365051 4.04955195 6.08004684 -0.32156606 0.36277040 -0.24661997 U 4.09208475 6.13384669 6.08907791 0.14149664 -0.51262190 -0.62314397