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=8.49495478016 stress="-5.933225023477604 1.325142817902254 0.46946412365713985 1.325142817902254 -5.596231555709108 -0.7522572292206363 0.46946412365713985 -0.7522572292206363 -4.643690523375087" pbc="F F F" O 0.26959405 0.17626233 -0.14597521 -3.99851200 -8.24428771 -9.66208615 O 1.70996341 1.49207130 0.15300231 7.87908791 6.41998788 -4.50204454 O 1.53848316 -0.04225341 1.41852158 7.85984585 -9.02066453 5.64531006 O -0.04210664 1.38825682 1.27041603 -11.74042176 10.84496436 8.51882063