32 Lattice="58.80813414315709 0.0 0.0 0.0 58.80813414315709 0.0 0.0 0.0 58.80813414315709" Properties=species:S:1:pos:R:3:forces:R:3 energy=-113.51607314175799 stress="0.00026176637669748747 -1.5005713409428137e-05 4.3920158681325216e-07 -1.5005713409428137e-05 0.00023096493769426084 -2.368398767507985e-05 4.3920158681325216e-07 -2.368398767507985e-05 0.000235880570264338" free_energy=-113.51607314175799 pbc="F F F" U 29.52005476 29.36804756 29.52948909 0.52981961 1.00055606 0.58851178 U 31.36721544 31.26511411 29.33873322 -0.53420407 1.34822126 -0.41670716 U 31.31494463 29.40606636 31.43873288 -0.62776675 -0.74884192 0.35258487 U 29.60006975 31.70787354 31.58083148 0.44406599 1.07916695 -0.94748918 Mo 33.65871109 29.41637640 29.65034575 1.64556619 0.16188304 0.33474233 Mo 35.57264825 31.50936933 29.16042934 -1.94008199 -0.33299656 1.98741626 Mo 35.63942944 29.22824835 31.48774798 -2.52707106 2.14595968 -0.64999969 U 33.53087916 31.20213009 31.42674792 2.40018439 0.51579304 -0.35589399 Mo 29.26736779 33.49640076 29.20049845 1.99270085 -0.62240791 2.03080734 Mo 31.61078307 35.51761616 29.24327760 0.85240458 -3.73421395 1.95203731 Mo 31.45960950 33.62802984 31.32520909 -0.64220416 2.30905004 -0.59619351 Mo 29.52173832 35.46796172 31.48533302 1.97617203 -2.98487968 1.46873377 Mo 33.53280006 33.64367861 29.43959434 -0.84911001 2.79159870 1.88851115 Mo 35.85737334 35.71156470 29.18776620 -1.45239175 -1.94676108 2.83649007 U 35.88449621 33.61827866 31.39459654 -1.14133406 0.48550310 -1.56103872 Mo 33.65208761 35.51723086 31.35719447 0.45502905 -2.09556051 -0.81890936 U 29.31774807 29.40289102 33.62898281 1.08573983 0.40621995 0.02194678 Mo 31.72019461 31.40442797 33.81869144 -1.99485899 0.55952330 -1.51336784 U 31.26747905 29.63221535 35.64970620 -0.78198222 -0.33416292 -0.30638448 Mo 29.39479607 31.55746823 35.48540804 0.99652957 -0.19207394 -0.76824113 U 33.47985787 29.32534700 33.62083815 1.99936047 -0.56985065 0.80048270 Mo 35.95007976 31.67442478 33.41234356 -1.10300210 -0.45970745 -0.12875566 U 35.67066402 29.43482860 35.46058016 -1.41351359 1.00762538 -1.22688872 U 33.66911871 31.69250154 35.60326965 1.78867484 -0.14975987 1.43378682 Mo 29.48210401 33.83259816 33.44162446 1.25695064 1.33973130 -0.87163365 Mo 31.56832379 35.61163258 33.85046299 -1.16577846 -1.58293085 -0.28740770 U 31.46063910 33.44725788 35.48272060 -0.68909964 1.43108139 0.70566234 U 29.37279794 35.94759788 35.54403099 1.45169854 -0.68500730 -1.68570350 Mo 33.73955551 33.38413628 33.64341564 -0.41408345 1.58689358 -2.09894415 U 35.69839180 35.71156922 33.41031481 -0.99868593 -0.59229583 -0.86279325 U 35.62927476 33.38055410 35.86506292 -0.77331278 -0.46867410 -0.43136535 U 33.80623883 35.82990249 35.50070187 0.17358444 -0.66868226 -0.87399651