16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-31.634913410439378 stress="-0.0004681941602388419 3.6724491932163037e-06 -4.335290688628935e-05 3.6724491932163037e-06 -0.00022858635376041852 0.00023177392173012883 -4.335290688628935e-05 0.00023177392173012883 -0.00023842575007596326" pbc="F F F" S 20.96240232 20.91661558 20.91973134 1.07294452 2.61593170 0.93035860 Mo 22.72586561 22.79391194 22.22614529 -10.14918564 -14.72405371 12.66399149 S 24.09431082 20.77761356 21.38209927 0.06049074 2.94648911 -1.33773682 Mo 25.39362841 22.73573857 22.52724172 5.19596677 -3.29220806 3.61274942 Mo 20.90499350 23.57722191 21.00607707 -2.54146610 0.78284431 -0.72854081 S 22.72083292 25.28984966 22.48735431 -6.72786925 6.06338146 -4.96102510 Mo 23.92299150 23.90698366 21.18107110 7.31268994 7.55818654 -13.90525000 Mo 25.09390167 25.51610079 22.89763704 3.84149144 3.36824267 -1.12391423 S 21.24394446 20.87259418 24.25226748 1.20856031 1.75358617 -0.86537327 Mo 22.46431997 22.71486112 25.57236142 2.21608288 -1.46585061 -2.48913919 S 24.20379337 21.23854596 23.76922180 -2.11389892 -2.04908067 3.14618661 Mo 25.25240819 22.22251354 25.68745344 0.46981946 1.81022651 -1.88818885 S 21.02015752 23.87970777 24.27711528 -4.07865357 -2.26615890 -4.47784037 S 22.37871118 25.25213077 25.23125112 2.54298913 3.19553654 4.43829349 S 23.71824351 24.13616082 23.76429260 3.42738557 -5.08676676 6.90197592 Mo 25.62968218 25.43736413 25.65519086 -1.73734728 -1.21030629 0.08345311