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=-12.25623582749401 stress="-40.80539498681034 0.7749774851866944 8.650227142751284 0.7749774851866944 -35.96885430216567 -0.6050701269770258 8.650227142751284 -0.6050701269770258 -36.466237369801604" pbc="F F F" W 0.24843919 0.14432661 -0.23976508 -5.59354188 -11.40277559 -11.72300550 W 1.74849743 1.75911890 0.19019325 17.10067521 12.22015972 -13.08234795 W 1.69877714 0.10881314 1.63250256 8.41360688 -12.02841376 9.16404812 W 0.10031152 1.55442580 1.35431870 -19.92074021 11.21102964 15.64130533