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=93.61411859231394 stress="-6.012084729923101 0.5680052715132408 -0.28686232381331495 0.5680052715132408 -5.581028643702524 -0.4595702023622668 -0.28686232381331495 -0.4595702023622668 -9.63406787007041" pbc="F F T" Sm 0.26235339 0.21005355 0.21211731 -44.89451621 -69.60353308 -38.72316793 Sm 1.44968690 1.79594673 0.21042663 36.55568394 52.56490258 -10.31145406 Sm 1.49042854 0.24122900 1.52201293 83.46448237 -51.16845724 21.22601931 Sm 0.04376171 1.22051529 1.57710464 -75.12565010 68.20708774 27.80860268