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=48.7326671957 stress="-15.443737978808807 -1.4649041033419368 1.4551527905369919 -1.4649041033419368 -13.599609220012077 0.6009756430347425 1.4551527905369919 0.6009756430347425 -14.260725507485954" pbc="F F F" P -0.17769156 -0.08950840 -0.27713580 -27.21384098 -26.56026699 -21.29645636 P 1.43858073 1.25205420 0.15488783 43.41725678 34.92530426 -32.33329590 P 1.55988540 -0.29754255 1.66431082 13.32783585 -27.29140116 25.13408160 P -0.18574270 1.48844065 1.53277713 -29.53125165 18.92636389 28.49567066