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=18.201977983860232 stress="-3.5783048601572007 0.5134558017785451 -0.20416238973718728 0.5134558017785451 -2.698230523196187 -0.06223154366705567 -0.20416238973718728 -0.06223154366705567 -2.4208937086909583" pbc="T F F" As -0.06254558 0.09073906 0.27219963 -6.26604975 -26.81603294 -28.62031248 As 1.43381326 1.63132919 0.25978669 6.08364955 18.50391643 -21.76707618 As 1.22592512 0.18365717 1.70288723 21.08936923 -30.86523451 22.93497013 As 0.08343331 1.29585403 1.44809454 -20.90696903 39.17735102 27.45241854