4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=13.459577211200667 stress="-2.3038031992562136 0.2495080877204099 0.07715328723536832 0.2495080877204099 -3.6382417766271797 0.03924173498399543 0.07715328723536832 0.03924173498399543 -2.5024897990722823" pbc="F T F"
Mo       0.23715536       0.02704010       0.20470050     -33.67195757       8.10035241     -23.87916171 
S       1.27493780       1.62749873       0.11781300      29.79121403      -6.94546002     -26.36916635 
S       1.66162860       0.12209229       1.36129912      22.15606840       0.34661154      17.40176363 
Mo       0.25219415       1.58085325       1.57924967     -18.27532486      -1.50150393      32.84656443