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=-5.783684517236064 stress="-33.561345726152986 2.2068636674748685 -14.485855864784606 2.2068636674748685 -32.28280804139486 4.43450893717662 -14.485855864784606 4.43450893717662 -37.759093054532094" pbc="F F F" Zr 0.20070203 -0.29657041 -0.09914834 -14.25921579 -6.84154220 -16.09095089 Zr 1.49793547 1.78187239 0.01001192 2.48605119 12.33055320 -9.30597301 Zr 1.48453339 0.10170120 1.37793365 20.39490876 -11.80765801 21.97153279 Zr -0.28095614 1.50082602 1.74624097 -8.62174416 6.31864701 3.42539111