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=29.5402296549 stress="-5.4053599300481405 0.33868031049075437 -0.21066311389462875 0.33868031049075437 -6.192683321817993 -1.346101017600671 -0.21066311389462875 -1.346101017600671 -6.072070168499415" pbc="F F F" In -0.14459490 0.11115480 0.11044915 -10.75747756 -16.45895468 -17.62944888 In 1.70960170 1.31143450 -0.16166483 9.84046758 6.35263146 -7.20565204 In 1.28829595 -0.16490224 1.64041416 8.96180263 -8.59825961 10.93632166 In -0.22187219 1.51878885 1.32834452 -8.04479266 18.70458283 13.89877926