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=-7.63703039411 stress="-5.034487781896134 -0.5246426687065465 -0.13363641708089408 -0.5246426687065465 -5.475763306984377 -0.9411087638360424 -0.13363641708089408 -0.9411087638360424 -5.915720120938334" pbc="F F F" Mo 0.21219253 -0.07514625 0.12990665 -9.27817611 -11.53067380 -12.16984566 Mo 1.28220450 1.78278197 0.06210000 9.33014729 7.35708550 -7.99734540 Mo 1.63362859 -0.17297059 1.57034430 8.56298907 -2.98616037 7.87550397 Mo 0.04852473 1.55473499 1.41561068 -8.61496025 7.15974868 12.29168709