32 Lattice="8.116068470229674 0.0 0.0 0.0 8.116068470229674 0.0 0.0 0.0 8.116068470229674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.29578785592946 stress="-0.011552720003907837 0.0022092391802186855 -0.002283157374152702 0.0022092391802186855 -0.012385241042527353 0.00019436177723882627 -0.002283157374152702 0.00019436177723882627 -0.0119330237336351" free_energy=-107.29578785592946 pbc="F F F" Mo 0.03007070 0.02009049 0.02632156 -0.45806014 -0.22889732 -0.21753367 Mo 2.03724452 2.00035173 0.03562495 0.58177792 1.07478132 -0.85049854 Mo 1.99630577 0.02467977 2.04915503 1.29163894 -0.55659308 0.90728285 Mo 0.01369120 2.05309299 2.05813073 -0.78536044 0.55772309 0.49043241 Mo 4.07154232 0.00611316 0.05085988 -0.73579788 -0.59505756 -0.41725780 Mo 6.10106383 1.99281683 0.03843448 0.23995671 1.20897739 -0.34166118 Mo 6.08546377 0.01085568 2.06121340 0.29392098 -0.48668496 0.90185554 Mo 4.07117623 2.03529308 2.02938353 -1.22427425 0.63860485 1.02098312 Mo 0.00864734 4.09251531 0.03496052 -0.52044642 -0.86498878 -0.64739701 Mo 2.03406300 6.09042693 0.04024619 0.47458597 0.67214233 -0.59506319 Mo 1.99966142 4.03607331 1.99274397 1.24628768 -0.58713088 1.77372441 Mo 0.03027814 6.10580630 2.05302811 -0.48014296 0.36759239 0.65730347 Mo 4.02414398 4.07515321 0.01525220 0.15578851 -0.97068687 -0.50458405 Mo 6.11927256 6.09530769 0.00894408 -0.23640870 -0.19019901 0.21676365 Mo 6.05608929 4.07288092 2.07585335 0.84168337 -0.87759813 -0.45596185 Mo 4.04258095 6.06563632 2.04464573 -0.34078419 0.83775184 0.26899323 Mo 0.00633699 0.02768427 4.05305533 -0.59310725 -0.53019163 -0.59385092 Mo 2.03231694 2.05088928 4.09291450 0.69600585 1.12368567 -1.40510302 Mo 2.00994322 0.02776450 6.05553544 0.66139924 -0.77315771 0.82837876 Mo 0.00181274 1.98924723 6.09167666 -0.49501397 1.13542852 0.39044985 Mo 4.02126615 0.03470600 4.09262929 -0.05322839 -0.45469589 -1.10002565 Mo 6.08444062 2.05433774 4.06455473 0.23425004 0.37193367 -0.43839271 Mo 6.09430893 0.03399532 6.09110861 -0.03683498 -0.01759533 -0.00332887 Mo 4.03511452 2.05081783 6.10924777 -0.32505683 1.03961379 0.31862359 Mo 0.01153516 4.07226002 4.07788905 -0.46854454 -0.64501478 -0.66516764 Mo 2.05592354 6.08190907 4.04680126 0.31693496 0.38139708 -0.52957927 Mo 1.98899048 4.09532674 6.10927641 1.11213132 -1.20261974 0.30999962 Mo 0.03748795 6.11491274 6.09452488 -0.25943621 0.34972563 -0.00821545 Mo 4.03199153 4.05230942 3.99818474 -0.85617513 -0.78898231 0.65144520 Mo 6.11600990 6.08095580 4.03356175 -0.05502233 0.54726949 -0.25539538 Mo 6.08818945 4.09419014 6.05462710 0.12368540 -0.82936895 0.27314657 Mo 4.04553448 6.06370762 6.08726239 -0.34635229 0.29283588 0.01963395