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:Z:I:1:forces:R:3 energy=16920.74256038256 pbc="F F T" Rf -0.00615098 0.02486558 0.18667769 104 -23634.76834370 -59406.94817681 -57717.62376186 Rf 1.53852746 1.48136011 -0.03978744 104 12995.27551119 4335.16632746 -10159.37529421 Rf 1.31058737 -0.28302818 1.45025523 104 15066.79884933 -12618.08832558 8125.07598106 Rf 0.27410376 1.20762766 1.20794615 104 -4427.30601681 67689.87017493 59751.92307501