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=2.053216805904624 stress="-0.48271282682443645 -0.08897839713513812 0.029830369654431466 -0.08897839713513812 -0.36470807107689845 -0.11056214469652621 0.029830369654431466 -0.11056214469652621 -0.6323509566466259" pbc="F F T" Cn 0.10074749 0.21860993 0.20744238 -4.31231517 -5.68854585 -4.27407037 Cn 1.37696193 1.67575917 -0.01178249 7.66634426 2.78503227 -3.57581482 Cn 1.72695397 0.01788401 1.27617552 2.48176329 -1.03470952 1.81042506 Cn 0.23552138 1.63580167 1.42238502 -5.83579238 3.93822310 6.03946012