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=29.881417050463952 stress="-5.907382815919807 0.7753908954359445 -0.21158642859174873 0.7753908954359445 -5.837339330388708 -0.005710624644795564 -0.21158642859174873 -0.005710624644795564 -7.058006554496551" pbc="T T T" W 0.24624097 0.14302402 -0.14501107 -23.14763713 -4.33661538 -4.92555283 W 1.61042859 1.70947124 -0.14487149 5.23202003 -10.48205737 -0.51659662 W 1.27567134 -0.08666117 1.28513563 21.57251606 1.87354961 7.22257220 W -0.12758765 1.32230844 1.41049160 -3.65689896 12.94512314 -1.78042275