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=58433.62483057493 pbc="T T F" Pa -0.05607787 -0.25378994 0.00829448 91 25945.75319514 30231.07923109 -39877.62723402 Pa 1.59779839 1.41798614 0.27498308 91 -14667.03242212 -84212.59699195 -86804.76032129 Pa 1.38976038 -0.23932472 1.48950181 91 42301.03341432 17457.32911379 84713.47192918 Pa 0.13940607 1.13311518 1.69755251 91 -53579.75418735 36524.18864706 41968.91562614