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=-10.054711568290216 stress="14.22234999986108 -0.47998498178730475 0.23891571531470035 -0.47998498178730475 13.961198464076675 -0.05696998175500223 0.23891571531470035 -0.05696998175500223 14.975568167289506" pbc="F F F" B -0.00033771 0.29740139 0.29004027 7.84763358 4.54089572 4.60326494 B 1.38497445 1.40063274 -0.22675718 -4.35799525 -4.58434246 5.11975170 B 1.56444632 -0.19241150 1.27579688 -5.56105281 5.18484900 -3.72989793 B 0.24909591 1.53519644 1.73384982 2.07141448 -5.14140225 -5.99311871