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=-5.783684517155193 stress="-33.56134593928453 2.206863706159636 -14.485855921160287 2.206863706159636 -32.282808301294004 4.434509055006313 -14.485855921160287 4.434509055006313 -37.759093250172434" pbc="F F F" Zr 0.20070203 -0.29657041 -0.09914834 -14.25921586 -6.84154222 -16.09095094 Zr 1.49793547 1.78187239 0.01001192 2.48605120 12.33055331 -9.30597310 Zr 1.48453339 0.10170120 1.37793365 20.39490888 -11.80765815 21.97153292 Zr -0.28095614 1.50082602 1.74624097 -8.62174423 6.31864705 3.42539111