32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=55.936140324007155 stress="-705.3504106382964 -4.681976647509771 2.4253254759110376 -4.681976647509771 -683.6028442094139 0.05408985764194085 2.4253254759110376 0.05408985764194085 -690.1795463656922" pbc="F F F" Mo 0.01684590 0.01299468 -0.13835175 -12.88621001 -11.96880485 -11.97623020 Mo 1.48187718 1.39277160 -0.12220142 -2.89413506 5.69712013 -28.04605516 Mo 1.48945000 0.14937413 1.32581045 -2.45164391 -30.09562015 5.27485641 Mo -0.05954907 1.30674868 1.52917767 -27.59185126 -0.38056115 -2.00261181 Mo 2.87322818 -0.00903285 -0.03999068 3.64058082 -20.17627153 -18.81458707 Mo 4.60035101 1.21734035 -0.04957417 15.20522515 3.68510616 -17.82605096 Mo 4.49896774 0.14093619 1.36412772 17.53542086 -19.99806279 1.65083465 Mo 2.99226670 1.55085060 1.50704724 8.69149105 -2.87993728 -2.77774898 Mo -0.14047807 2.88255931 0.12312049 -15.61631964 1.86950221 -14.77355380 Mo 1.57151201 4.42749447 0.05521430 -6.47892367 18.46859081 -19.33053887 Mo 1.60473562 2.92756425 1.52640357 -11.48414019 4.36507553 -7.58452647 Mo -0.04333058 4.42327745 1.50104727 -16.81562718 16.11271847 -2.00960754 Mo 2.91115422 3.06514844 -0.13856790 6.93325389 -2.78216926 -25.93134150 Mo 4.46929036 4.37602710 0.07744391 12.21878393 9.77617232 -9.51155966 Mo 4.52994270 2.85122873 1.58215541 25.16457988 4.46991444 -6.08165115 Mo 2.90712865 4.49422032 1.51638857 6.48419963 29.34739331 -3.67580863 Mo -0.05014013 -0.06316932 3.13037664 -14.29894685 -18.89472894 -0.71760869 Mo 1.48381556 1.60906946 2.88358035 -1.34447582 -6.96852185 10.03953573 Mo 1.59705118 -0.08451751 4.44100599 -1.89845441 -15.69448539 17.31625757 Mo -0.03349704 1.33731712 4.38848213 -16.49548480 -1.65253033 19.79187431 Mo 2.99494747 -0.01743904 3.11293281 -0.50083160 -26.52372793 -6.22394425 Mo 4.64695597 1.46302126 3.07532172 25.57150844 -1.95226930 -2.67909974 Mo 4.38880678 0.09110102 4.44681420 14.93048842 -16.32295798 15.56634388 Mo 3.11786929 1.51362086 4.38769075 -6.34619631 5.38080206 25.58136260 Mo -0.14851834 2.92443650 3.04754575 -27.91142523 4.13160213 -0.47381874 Mo 1.39492483 4.49367715 3.04009778 -6.00209941 27.51498663 0.26133460 Mo 1.33631606 3.03307355 4.41412661 1.48148153 -1.87858418 27.89868366 Mo 0.06551239 4.54997625 4.63060378 -10.84821767 10.47975398 10.93211831 Mo 3.00596876 3.27497601 2.98215999 5.69729374 -2.28610482 7.94621225 Mo 4.52198250 4.53618071 3.09326514 18.86857916 18.51815785 -0.15252088 Mo 4.61927298 2.88461090 4.39114848 17.05651343 5.30162698 18.87400579 Mo 2.94048351 4.59372672 4.51007876 2.38558308 15.33681472 19.45544433