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=-5.616302379101356 stress="-0.24761753923461652 0.017297602669834287 0.09441440488410084 0.017297602669834287 -0.3243980525632295 0.06415984122174735 0.09441440488410084 0.06415984122174735 -0.0940286124822156" pbc="F T T" N 0.18745344 0.02015752 0.06514582 -1.62569280 1.86545792 0.61045667 N 1.77711528 1.37871118 -0.24786923 0.45513541 -1.08066162 -0.79080967 N 1.23125112 -0.20847712 1.63616082 5.47381694 1.09435965 -1.16347667 N 0.12968218 1.71980528 1.79977655 -4.30325955 -1.87915594 1.34382966