4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=583.7830722400532 stress="-404.8790296101465 4.456275076896272 -17.81974959682427 4.456275076896272 -169.5178138466734 12.012510214008183 -17.81974959682427 12.012510214008183 -224.49160000745664" pbc="T F F" C -0.14801295 0.06329927 0.09073906 133.67039834 -714.63433581 -531.02756011 C 1.02219963 0.68381326 0.13132919 -374.95605950 669.98197255 -481.89532959 C 1.00978669 0.18365717 0.95288723 -279.38399407 -372.28987287 635.87020582 C 0.08343331 0.54585403 0.69809454 520.66965524 416.94223614 377.05268388