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=33.3574978304 stress="-7.369313975543862 0.5363111822651727 -0.7063521523243695 0.5363111822651727 -10.169946840428619 -3.530011018196928 -0.7063521523243695 -3.530011018196928 -9.655283101891543" pbc="F F F" O -0.14459490 0.11115480 0.11044915 -15.47429557 -30.14570994 -31.93507231 O 1.70960170 1.31143450 -0.16166483 12.64219361 8.38355032 -8.67081047 O 1.28829595 -0.16490224 1.64041416 13.24878456 -11.26308949 15.46776719 O -0.22187219 1.51878885 1.32834452 -10.41668260 33.02524910 25.13811558