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=282.6166628357463 stress="-42.61342004811741 0.04934144221306341 -0.7250699619442231 0.04934144221306341 -43.64952152481077 0.06543825657372306 -0.7250699619442231 0.06543825657372306 -43.56461940024743" pbc="T T T" Zr -0.14459490 0.11115480 0.11044915 34.15962321 -41.79147535 -8.49896528 Zr 1.70960170 1.31143450 -0.16166483 -56.16121284 45.61795892 10.56457439 Zr 1.28829595 0.03769167 1.64041416 -13.85932822 -27.08908624 -16.42974886 Zr -0.22187219 1.51878885 1.32834452 35.86091785 23.26260267 14.36413975