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=-2.1820214295660567 stress="-0.0008403884180754448 4.94022158897099e-05 -4.1560210370664324e-05 4.94022158897099e-05 -0.0008526575682588034 -0.00021755076072645736 -4.1560210370664324e-05 -0.00021755076072645736 -0.000862970845522599" free_energy=-2.1820214295660567 pbc="F F F" O 20.88909689 21.13714415 21.07420351 0.30909760 -1.91816213 -2.41918646 O 22.70960170 22.21726994 20.83833517 -1.59778626 -0.88162317 -2.07089831 O 22.04389311 21.13384602 22.64041416 1.50103028 -4.65024448 -6.21601378 O 20.77812781 22.29169857 22.20924639 -2.31833612 2.59233868 2.10322812 O 23.87679405 20.95894820 21.06396050 2.37805920 -1.35890335 -0.88342148 O 25.62339663 22.20865944 20.84743642 0.42325907 -1.72867333 -1.03312163 O 25.20804484 21.22277084 22.68584377 0.47283518 -4.41033311 -6.03861905 O 24.18362810 22.69581920 22.84755212 -1.97477665 -1.55044681 0.83698688 O 20.97302364 24.07711399 20.85196026 -0.75116921 0.45269617 -0.36851503 O 22.70996341 25.49207130 21.15300231 -2.08413858 0.34288403 -1.77914219 O 22.53848316 23.95774659 22.70039396 -0.12197221 -1.07030287 -2.26817263 O 20.96790528 25.37279021 22.37211723 -0.28301283 0.38188848 -1.85322049 O 24.19178619 24.05688883 21.29140871 -3.93273568 -2.17114063 -6.04206693 O 25.33359745 25.38752475 21.25947549 1.60770387 2.70268376 -2.07812618 O 25.28091226 24.10609294 22.46603997 5.31378410 -0.73372559 2.61374108 O 23.80598025 25.32157598 22.51361598 2.48654496 3.84060102 0.21133417 O 21.06145829 21.02848255 23.97663810 -5.22553063 -2.90632950 1.92369368 O 22.28400933 22.15088093 23.81682272 3.12277323 5.39589654 3.70733061 O 22.25175979 20.99629482 25.37656677 1.09935863 -2.05065493 1.83667326 O 21.08417477 22.24396547 25.40499636 -1.98481047 0.75828091 0.44875372 O 24.26064027 20.93381326 24.13132919 -0.16412731 -1.06308225 1.38342942 O 25.75978669 22.22592512 23.78504734 3.70059440 1.87517532 4.55326113 O 25.71643430 21.10260697 25.45709467 0.12984125 -0.05952658 -0.20311724 O 23.75683077 22.44809454 25.50313799 0.06745902 -0.22284811 0.26407890 O 21.23171545 24.40004220 23.82183498 -4.01804219 0.43240002 2.16217950 O 22.71219253 25.42485375 23.89706735 -1.43548056 3.49344148 3.11474526 O 22.28220450 24.28278197 25.56210000 1.67252298 -2.82725806 1.40664300 O 21.13362859 25.32702941 25.40130927 -3.71274929 3.16055323 -0.25021368 O 23.93053670 24.05473499 23.91561068 1.69221600 1.29619662 3.18758623 O 25.63661615 25.33780626 23.59721986 0.65199184 1.79060849 2.78966312 O 25.29869006 23.88738303 25.26735611 0.53249304 0.22215084 0.41995323 O 23.75195003 25.20660827 25.58611608 2.44310334 0.86545930 0.54055376