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=485576.6779435135 pbc="T F F" Np -0.17029645 0.28841438 -0.04539717 93 -232724.53301369 -304309.15183695 -208284.67705481 Np 1.21976749 1.20050761 0.27007586 93 1033039.20001253 635927.07167201 -1551216.07051230 Np 1.29595396 0.23080527 1.50990173 93 684182.89614288 -1180185.03328437 764406.30888197 Np 0.18977245 1.33373196 1.38786827 93 -1484497.56314172 848567.11344930 995094.43868514