32 Lattice="56.59329795837402 0.0 0.0 0.0 56.59329795837402 0.0 0.0 0.0 56.59329795837402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-638.8038662649653 stress="0.00016309707535729407 3.631971392986435e-05 6.544545837632757e-06 3.631971392986435e-05 0.00016700991902502283 -3.727225908876923e-05 6.544545837632757e-06 -3.727225908876923e-05 0.0001222476115662059" free_energy=-638.8038662649653 pbc="F F F" Mo 28.17615323 28.38927798 28.38868994 2.18011915 1.98282645 2.04167713 Mo 30.49250627 30.16070028 28.16192828 -0.86692336 -0.94798897 0.91851040 Mo 30.14141815 28.15923045 30.43484999 -0.36429179 0.74679772 -0.70740042 Mo 28.11175549 30.33349557 30.17479196 1.06443799 -0.99492502 -0.63389018 Mo 32.26443228 28.26243914 28.46547723 0.14856296 1.87021911 0.94254457 Mo 34.41441769 30.07505439 28.18456741 -2.26703175 -1.11411071 1.92075704 Mo 34.18357178 28.48229134 30.47270800 -0.50760096 -1.73850906 -3.48344010 Mo 32.49205082 30.48102086 30.44021327 -0.81989664 -1.56159070 -1.53584346 Mo 28.52131069 32.50757048 28.17500297 1.37131487 0.81584905 1.94854678 Mo 30.49280770 34.35360936 28.19356465 -1.01584904 -1.36108632 0.97416972 Mo 30.34990749 32.30381623 30.24993950 -0.18947982 -0.90133541 -2.95165069 Mo 28.26156011 34.26709730 30.12651822 1.12111053 -1.77012991 -1.35761805 Mo 32.49884923 32.48815672 28.53948957 -0.64385120 -0.28732755 -3.58374949 Mo 34.45567794 34.38732980 28.42085472 -0.76535463 -1.01562608 0.79441595 Mo 34.17764350 32.42743819 30.28953817 2.99010434 0.95449997 1.18923520 Mo 32.17734428 34.21152993 30.32918484 0.84010601 2.74730818 -0.45603239 Mo 28.17330486 28.27637849 32.36157209 1.75340523 1.69905899 0.14952503 Mo 30.18724640 30.13322867 32.33445597 -0.49122121 -0.68878572 0.52796129 Mo 30.18556169 28.16448814 34.20745109 -0.49924893 2.14459595 -1.02930738 Mo 28.22986893 30.10447608 34.43583250 2.25270670 -0.89402905 -1.64950546 Mo 32.36219139 28.24149336 32.44846840 -0.25514268 0.69457905 1.05831213 Mo 34.32819280 30.08944246 32.15990019 1.04296732 1.29899730 4.09493483 Mo 34.51326426 28.46572167 34.42974437 -2.11822554 1.77109558 -1.67082181 Mo 32.16890576 30.27458364 34.54433738 0.39838974 -0.88307073 -1.39104152 Mo 28.73870208 32.49061347 32.00131465 -3.46447334 -0.44862184 1.64620742 Mo 30.49466530 34.19834630 32.33175511 -0.88380822 2.27626895 1.41618940 Mo 30.13634194 32.57467905 34.41196662 0.97194548 -1.04925517 0.44748697 Mo 28.40800614 34.26470392 34.41883687 -0.10520027 0.25597215 -0.29116231 Mo 32.16817832 32.36958515 32.26870297 1.57488954 -0.79006477 2.05361668 Mo 34.47406341 34.28088356 32.17003882 -0.86337925 -1.93218332 0.56464734 Mo 34.19245833 32.43104304 34.16634671 -1.02993024 0.52850017 -1.34089556 Mo 32.36905780 34.14478858 34.43198002 -0.55915099 -1.40792830 -0.60637907