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=68.9048728488 stress="-58.81554346416021 -0.7336048917275286 -2.67480689060781 -0.7336048917275286 -40.32323456052097 -4.500968360175377 -2.67480689060781 -4.500968360175377 -58.43509691797032" pbc="F F F" U 0.04852473 0.05473499 -0.08438932 -91.23781342 -65.63898860 -107.94437340 U 1.63661615 1.40480033 -0.12280496 63.60881024 66.24186414 -53.34877000 U 1.29869006 0.11041876 1.26735611 102.21548352 -69.89037734 88.99919764 U -0.16466555 1.24148635 1.58611608 -74.58648034 69.28750180 72.29394577