32 Lattice="44.53776168823242 0.0 0.0 0.0 44.53776168823242 0.0 0.0 0.0 44.53776168823242" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.104514469216102 stress="0.0003488019236627284 -5.410110896032001e-06 3.024163763468221e-05 -5.410110896032001e-06 0.00032956799126315957 -3.266583646099275e-05 3.024163763468221e-05 -3.266583646099275e-05 0.0003023070139389346" free_energy=-22.104514469216102 pbc="F F F" O 22.29619512 22.18531396 22.16359864 0.41003836 1.07893539 1.64501852 O 23.98761239 23.67800942 22.45066328 1.16549627 -2.39635836 0.88324502 O 23.50484020 22.43063281 23.71865267 -1.33975411 2.69563770 -1.51841540 O 22.17055749 23.60512569 23.62620254 1.57138602 -2.31538464 -1.33097954 O 25.26428643 22.19939383 22.23981578 -1.12296452 1.45857265 0.29790419 O 27.22900523 24.10444181 22.04066859 -0.55004837 0.98289728 0.75716691 O 27.05831009 22.08355881 24.01135023 -1.52777968 0.33843693 1.37323225 O 25.36150654 24.05596400 23.92665165 -1.00673475 0.85460324 -0.33916232 O 22.27428783 25.20261897 22.14294168 0.40261860 -0.40921709 0.57992478 O 24.04354262 26.86565860 22.25834277 0.51395193 -0.54189612 0.72254184 O 23.79534144 25.37110277 24.01040777 -1.02507014 -0.69810037 1.90686563 O 22.12575852 27.14997120 23.94280894 0.68720291 -0.68392202 0.82068734 O 25.66782250 25.46009746 22.47910375 1.24544379 0.45003948 0.67472563 O 27.01105053 27.07742139 22.32918203 -0.35119853 -1.87710211 1.15377444 O 27.21061169 25.64893783 23.66720002 -0.92557956 0.41432708 -2.06029701 O 25.26873033 27.05770918 24.02642035 0.04550931 -1.34638936 0.73114247 O 22.28567878 22.16863732 25.68107894 2.88483140 0.80235445 2.62964304 O 23.75844117 23.65295750 25.22619214 -0.17865156 -1.10610665 -0.75151317 O 23.62471812 22.38234819 26.84436105 -3.04904906 0.16903880 -2.63449968 O 22.37694933 24.20994743 27.29059767 1.42790166 0.54439281 -0.38180498 O 25.60468124 22.23105536 25.36836598 1.92012345 0.23779822 -0.69293900 O 27.20736491 24.09019858 25.34536503 -0.58106326 0.39409068 0.60984137 O 27.17178727 22.07358789 26.94501389 -0.82652146 0.45316181 -0.59784335 O 25.69821999 23.84512928 26.92466444 1.48742141 1.15978659 -0.39734717 O 22.41129427 25.42524224 25.20198552 2.09006420 2.00626680 -1.66767083 O 23.62414757 26.92029581 25.44064530 -0.96964620 -0.62814468 0.72947779 O 24.07814301 25.28802054 26.97684278 -0.61940480 0.05511272 0.51001633 O 22.44564527 26.99885630 27.28740615 0.65810265 -0.28821778 -0.68988210 O 25.58107003 25.62331036 25.15258268 0.04886493 1.43574416 -1.44832895 O 27.02132065 27.24180805 25.63836141 -0.82548576 -0.66342719 0.46446437 O 26.88773678 25.38793488 27.02883618 -0.98892265 -1.43331285 -0.87988147 O 25.12238062 27.07725197 26.80787996 -0.67108247 -1.14361754 -1.09910694