16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3.798276412704873 stress="-0.002451089281107213 0.0008545283125074109 0.0008707152939786574 0.0008545283125074109 -0.002948942555876437 0.00034923171312831885 0.0008707152939786574 0.00034923171312831885 -0.0023346122013324414" free_energy=3.798276412704873 pbc="F F F" H 10.35540510 10.46314185 10.67374842 1.23582863 0.20223215 8.28177304 H 11.39705612 11.06143450 11.08833517 -0.84356829 3.14993362 -3.76394895 H 11.78829595 10.33509776 10.64041416 2.48125956 -3.09826848 -6.04703332 H 12.52812781 11.26878885 11.07834452 4.07648952 1.57977345 -3.72001612 H 10.37679405 11.95894820 10.70259391 -4.88856178 -0.60397693 -3.64131561 H 11.09350987 12.45865944 11.11550211 1.87330229 3.68874748 0.76148772 H 11.78802619 12.22277084 10.68584377 2.39956719 1.07901822 -3.18272268 H 12.93362810 12.94581920 11.39136437 0.73721541 0.69227674 -0.30542467 H 10.76959405 10.67626233 11.69529298 -14.83892800 -6.26849385 -8.29417617 H 11.45996341 11.24207130 12.90300231 0.21161060 -1.86072475 6.78474769 H 12.03848316 10.45774659 11.91852158 12.40769004 -4.50581207 9.12558445 H 12.70789336 11.13825682 12.36182303 -1.35395773 -6.48541792 -1.38099038 H 10.69178619 12.17895518 12.29140871 -0.27972676 9.04803893 8.78877245 H 11.36455359 12.78253581 12.89904689 -1.29075118 -2.05761258 -3.13976994 H 11.78091226 11.92277431 11.96603997 2.06185990 2.16118813 -2.70652630 H 12.55598025 12.57157598 12.76361598 -3.98932939 3.27909787 2.43955879