32 Lattice="7.844076993132096 0.0 0.0 0.0 7.844076993132096 0.0 0.0 0.0 7.844076993132096" Properties=species:S:1:pos:R:3:forces:R:3 energy=-91.90167053052126 stress="0.05011888253945979 7.0271511132279826e-06 0.005282648652691251 7.0271511132279826e-06 0.06490494873247127 -0.022090587348960813 0.005282648652691251 -0.022090587348960813 0.09215882190886025" free_energy=-91.90167053052126 pbc="F F F" S 0.00663428 0.03450867 0.00993054 0.59546609 2.33956325 0.48342770 Mo 1.94115183 1.96592936 0.03615402 2.86824546 -4.49265843 2.74720189 S 1.94871318 0.00646994 1.95692933 -1.69877899 0.76322961 2.78838274 Mo 0.01393559 1.94596035 1.93256366 0.11598846 -1.51455716 -1.45954889 S 3.93066268 0.00170336 0.03742595 1.47258558 0.74225847 -0.93363656 Mo 5.85245066 1.95172784 0.02854583 -1.26632441 -2.37666499 -1.57483935 Mo 5.85714020 0.01599542 1.93310788 -1.98590118 2.04429277 0.40355573 S 3.89217891 1.97092087 1.92674412 1.60959129 1.02733041 -1.41290918 Mo 0.04645568 3.94167721 0.00677243 -0.65556205 1.37479735 2.67963705 Mo 1.92975234 5.89790335 0.00938439 0.25250764 -0.52119526 3.93044020 S 1.94177823 3.90607592 1.95956693 -0.55829129 -1.57808192 -0.93406292 S 0.05652925 5.88976257 1.91444720 -0.31533988 0.15084437 0.26424559 Mo 3.90004815 3.89271603 0.01519115 0.13188524 2.57876087 0.98875703 S 5.91081492 5.90464144 0.03158472 -0.82919220 -2.65518517 0.69867610 Mo 5.88099594 3.91462631 1.93516621 -3.55988609 1.43110961 4.34998514 S 3.88797823 5.86812475 1.95631067 -0.81213098 0.76669413 -1.60763653 Mo 0.04255336 0.03576294 3.90632768 -0.27439683 0.16902695 0.03450590 Mo 1.93829842 1.93281562 3.91292968 1.64079706 5.26738123 -2.66066197 Mo 1.97198182 0.01103023 5.90031225 -1.95331733 -0.17842892 1.78702199 S 0.00165194 1.94396261 5.88559785 1.31107080 -1.75251094 -3.00543274 Mo 3.94939369 0.01342155 3.93153630 1.56720943 0.10435623 -1.72230818 S 5.91629999 1.99454348 3.88857563 0.71910568 -1.89423672 -0.59529141 S 5.90546933 0.03413766 5.88857266 -2.56792067 0.70754897 -0.70353441 Mo 3.88512591 1.92833944 5.85543459 4.72714303 3.59269691 -1.39919468 Mo 0.02995730 3.89986426 3.91230668 -0.37550136 -1.96897687 -0.89927159 Mo 1.92599381 5.84793960 3.91109636 5.03439179 -3.03782922 -2.37347575 S 1.96171598 3.95776474 5.87824606 -1.92428397 0.62160290 -0.95829393 Mo 0.00725648 5.86461800 5.86590348 -0.76140835 0.13733827 1.48254000 S 3.93828576 3.88978509 3.93364215 -1.42496907 -0.68518501 0.72944013 S 5.90074052 5.91912342 3.89970553 1.09303485 -0.75239392 -1.54778509 S 5.91374027 3.94582482 5.90768944 -0.75881237 -1.64213895 1.06734510 S 3.92095433 5.88012290 5.86568155 -1.41700536 1.23121118 -0.64727910