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=77.29285228288876 stress="-5.668374574205648 -0.03804468478119798 0.49335667410584494 -0.03804468478119798 -5.3902558515336505 -0.18287234283526163 0.49335667410584494 -0.18287234283526163 -14.013724316057266" pbc="F F T" Si 0.21813893 0.19410236 -0.16903503 -62.14179876 -59.89016478 37.90673263 Si 1.38201197 1.43300593 -0.27997518 55.68454549 70.56627421 22.08147342 Si 1.27696427 0.22586561 1.79391194 71.26905488 -66.25140898 -40.48368287 Si 0.02103145 1.27761356 1.68220204 -64.81180162 55.57529955 -19.50452317