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=-19.887546235900654 stress="-0.004543449604539709 0.00015245568136649368 -1.0464012038227349e-05 0.00015245568136649368 -0.004910176973699075 -0.00020874578991410042 -1.0464012038227349e-05 -0.00020874578991410042 -0.004666884772252137" free_energy=-19.887546235900654 pbc="F F F" V 20.86302573 21.14250163 21.02951695 -5.32837829 -7.30097266 -2.75518222 V 22.31273698 22.26736358 20.72286420 6.02354290 2.04181519 -5.74373230 V 22.41522485 20.75205420 22.89611683 1.07352977 -10.70251447 -5.37616256 V 21.05988540 22.20245745 22.66431082 -10.15203319 4.70431700 -3.45503807 V 23.81425730 20.98844065 21.03277713 -5.73476981 -10.73756123 -9.72332135 V 25.39971974 22.37366136 20.96097674 13.41249651 -0.03790475 -21.59349160 V 25.28219307 21.21813893 22.26716069 30.16244063 -34.60525853 3.58704717 V 24.19410236 22.33096497 22.40402490 -30.96015429 12.65899895 0.07985195 V 20.93300593 23.53636830 20.76262702 -4.61856768 4.93358663 -1.33694202 V 22.23104665 25.50888363 21.22586561 -0.66244329 1.34879505 -5.29120549 V 22.79391194 23.72614529 22.52103145 -4.94497832 13.29983924 -15.52244168 V 20.77761356 25.40271734 22.58636831 -4.06134028 1.76594660 0.82954411 V 24.23573857 24.02724172 20.77538150 -13.75915299 -3.53930312 -17.07476733 V 25.20296332 25.34887301 21.22083292 13.18640858 14.43446497 -7.96113353 V 25.28984966 23.79458363 22.18471817 18.59592355 7.45300582 4.23870727 V 23.90698366 25.68107110 22.32825321 -6.90261330 8.24782288 7.40042904 V 21.13102478 21.09995250 24.26120756 -10.36629425 -25.93332499 -11.46729883 V 22.56525955 22.75226748 23.84868471 -1.91244116 -7.17057768 10.38729208 V 22.77507189 21.07236142 25.70379337 -0.45731693 -6.51827276 7.17287929 V 21.23854596 22.26922180 25.28229695 -6.17485921 18.91975816 24.13084056 V 24.02031036 21.18745344 24.01831774 -3.60946717 -12.62938610 0.52033677 V 25.37970777 22.77711528 23.87871118 29.38972781 -11.59682381 3.90950026 V 25.25213077 20.73125112 25.21824351 8.73889735 -5.47530667 5.07136048 V 24.14899358 22.46500601 25.62968218 -5.98074478 -3.71597869 12.27018041 V 21.21980528 24.12835691 24.18543805 -11.73582416 0.61919865 -4.87557772 V 22.60181750 25.57327937 24.28932067 -2.52998956 9.89610602 -11.16051245 V 22.58667624 24.14985840 25.65720406 1.38468062 -8.53869573 11.88429378 V 20.98301291 25.17112379 25.79768454 -7.69295226 5.60101263 5.76113118 V 24.18657822 23.86065667 24.17089611 -11.96494714 19.24420797 4.16702194 V 25.47011124 25.20220318 23.71755886 6.97106378 8.68821335 3.41941761 V 25.35541431 23.69141771 25.76235339 11.47460087 7.53173176 9.97348477 V 23.58053060 25.71005355 25.71252756 9.13595569 7.11306032 8.53348848