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=62.74186686105943 stress="-0.002650321674149997 -2.893699641903778e-05 2.9359179361475126e-05 -2.893699641903778e-05 -0.00282994265808885 -1.1000572256063516e-05 2.9359179361475126e-05 -1.1000572256063516e-05 -0.0027471493728452724" free_energy=62.74186686105943 pbc="F F F" O 20.87747648 20.94057204 21.21440793 -2.12399157 -1.61346688 -2.17687119 O 22.55646809 22.53502127 21.16980798 -1.04299710 -4.20939661 -12.68334378 O 22.46427615 21.02184289 22.82250224 -5.71620981 -12.24637167 1.68035000 O 21.13350600 22.64618898 22.86113553 -13.52549528 -6.46227401 0.78587269 O 24.03480345 21.07621952 20.81305510 1.07252413 -0.00249982 -2.51093629 O 25.34472026 22.46070040 20.99928290 2.19694582 -4.96531222 -3.76947172 O 25.73956773 20.72557373 22.15628396 1.57608096 -1.08583925 -0.02693977 O 24.14408857 22.47537525 22.70902946 9.89690048 -4.32900944 0.29754043 O 20.92901264 24.16265408 20.96618724 -1.25794373 3.26151762 -1.88820185 O 22.34227795 25.30511851 20.94170993 -0.50247607 1.39727084 -6.55906966 O 22.68168807 24.14109445 22.53839703 7.18096361 14.44312335 -6.12862143 O 20.95376057 25.22340307 22.61951579 -11.63051985 3.88985977 -4.18391399 O 23.81520129 24.13443557 21.06717778 -2.00210514 1.14305190 -8.22222012 O 25.32654293 25.69551854 20.93003814 2.29768984 1.86698589 -1.49036334 O 25.77544140 23.75162633 22.78148913 5.03148736 0.38361600 1.84462943 O 24.05210001 25.46864501 22.76147517 4.78634474 13.88803423 -2.22747761 O 20.97282550 21.00505582 23.73594820 -1.57136724 -0.32582550 -1.82853120 O 22.67858111 22.58352372 23.84376228 0.54082991 -14.75052438 -6.26721005 O 22.10928161 21.05463877 25.76111147 -2.84473687 3.27415462 0.56358549 O 21.22232616 22.47927008 25.22147108 0.44991656 -9.31362475 5.89307195 O 24.19736496 20.82128623 24.13856038 5.20977472 -8.47599940 5.45124610 O 25.49965461 22.77820060 23.97805959 14.53511477 4.15520619 -8.48213576 O 25.53468755 21.13215382 25.21035018 -2.98900274 -3.99549293 0.69899691 O 24.03922890 22.37689326 25.61719846 1.81087376 -4.70964442 16.21316337 O 21.27680686 24.09967038 23.99640474 -16.23961238 4.26217414 -2.23021340 O 22.56224969 25.34915582 24.11243778 6.55667616 10.45547190 4.50008652 O 22.26986142 24.13236414 25.23944939 -8.55797402 2.56926989 14.59076792 O 21.01619234 25.30772007 25.53790681 -4.28892883 3.36627920 7.61872927 O 23.71234490 23.71647147 24.07493195 1.70472445 -4.30670805 3.95966463 O 25.46227507 25.73295849 24.10637032 -2.28062583 0.84677256 1.29929925 O 25.79740101 23.65099174 25.57730756 2.46932245 1.01682005 1.89362135 O 24.08177926 25.30522007 25.28391760 9.25781674 10.57238118 3.38489585