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=82.79414986399455 stress="-6.330149713453745 0.16698771856112765 -0.15896990311086667 0.16698771856112765 -6.460107756847713 -0.19882094103041167 -0.15896990311086667 -0.19882094103041167 -6.574094503677174" pbc="T T T" P 0.24624097 0.14302402 -0.14501107 -4.72058653 -1.91157773 -6.33305802 P 1.61042859 1.70947124 -0.14487149 -0.87577467 -7.11036384 -8.61702422 P 1.55280714 -0.08666117 1.06941911 0.95516714 4.28906401 13.78594739 P -0.12758765 1.32230844 1.41049160 4.64119407 4.73287756 1.16413485