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=47.09540132060264 stress="-6.949290110669459 1.3612601158494586 -0.6576781045619329 1.3612601158494586 -7.62972142143251 -1.8976745149107845 -0.6576781045619329 -1.8976745149107845 -8.676732984288675" pbc="T T T" W -0.14459490 0.11115480 0.11044915 41.18935990 -86.40269110 -28.13813874 W 1.70960170 1.31143450 -0.16166483 -62.70017999 67.32581643 10.63540318 W 1.28829595 0.03769167 1.64041416 -10.84046419 -50.02232742 -18.38175359 W -0.22187219 1.22744829 1.32834452 32.35128428 69.09920209 35.88448915