32 Lattice="42.41329383850098 0.0 0.0 0.0 42.41329383850098 0.0 0.0 0.0 42.41329383850098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.671711856886045 stress="-0.0002863940342864896 -1.6636264328593256e-05 6.502875024368337e-05 -1.6636264328593256e-05 -0.00020282020911290062 0.00012355826684933878 6.502875024368337e-05 0.00012355826684933878 -0.0003740822646601827" free_energy=-17.671711856886045 pbc="F F F" O 21.17672459 21.15546419 21.00002542 -0.01236132 2.19676028 2.37172024 O 22.85048060 22.77131192 20.97703891 1.07894299 0.47945354 0.49077970 O 22.85833310 21.05186133 22.55872752 0.37201372 -0.23907209 0.76144778 O 21.17174654 22.63784053 22.60417751 -0.06423521 -2.20707396 -2.43610166 O 24.20364852 21.02514115 21.38842936 1.16805637 -0.68642467 0.30079588 O 25.55689564 22.88315938 21.06578440 0.74660119 2.65501293 -4.16289233 O 25.65260504 21.15081852 22.48809476 0.79689661 -2.57820162 0.35066508 O 24.05030480 22.49727962 22.69234235 -2.89333660 -1.23830341 0.88421273 O 21.39486826 24.48109453 20.97843466 -0.88634308 0.48989773 -2.43690442 O 22.77540171 25.56560637 21.35848195 1.13686251 1.12251087 -1.78172484 O 22.39986050 24.59323330 22.74410884 2.24139254 -0.88542296 -2.13689941 O 21.01946484 25.34275560 22.39690715 -4.61449439 1.61252839 -0.04746999 O 24.46463037 24.06104262 21.19610884 0.48727042 -0.86792011 -1.53583578 O 25.59039193 25.67188163 21.35753950 -0.29821826 -0.06765894 0.23549014 O 25.60780608 24.34535523 22.81539512 1.58121914 -0.26364449 0.46470378 O 24.45384087 25.76087633 22.93163032 0.27389935 1.74643296 -1.54574335 O 21.17691356 21.24328442 24.46373026 1.29325781 1.35294054 2.68883598 O 22.89123522 22.92019571 24.04385274 -0.81007295 -5.62688288 0.41255081 O 22.53998821 21.22357222 25.90713960 -2.45304897 1.29837084 -1.38286649 O 21.22344485 22.62116389 25.83900810 1.15979116 -2.65131138 -1.30596949 O 24.13509389 21.00008923 24.01221051 -1.27346656 -0.04664916 -0.13234670 O 25.63880473 22.90939430 24.00396528 1.53739593 0.12407291 -0.15481651 O 25.85899688 21.38981798 25.76175647 -3.61737425 3.19865266 0.10508474 O 24.39069962 22.68358193 25.81199454 3.98444708 -4.17680702 1.23478300 O 21.37322795 24.34417790 24.13138340 -3.55535752 0.59259998 2.22497468 O 22.85241080 25.55563545 24.14039791 -0.19058132 2.43206046 -0.28231091 O 22.96947786 24.40291904 25.63480896 0.97542397 0.58519412 3.19481083 O 21.17076683 25.55289296 25.50276439 -2.05160177 0.23636338 0.21145033 O 24.00080029 24.11567983 24.15214414 2.30669554 0.51938144 1.49429712 O 25.96955622 25.62457921 24.41121253 -0.40131808 -0.62505695 1.59297498 O 25.92769283 24.19424032 25.99755067 -1.19113866 1.22715293 -1.00769331 O 24.36708840 25.51974355 25.63199693 3.17278262 0.29104366 1.32999741