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=18.659259092403563 stress="-92.87664726647493 -1.9870158827435231 -1.029211269775658 -1.9870158827435231 -89.36538985381794 -3.2613245991918447 -1.029211269775658 -3.2613245991918447 -90.05782991445423" pbc="F F F" Zr 0.26959405 0.17626233 -0.14597521 -26.77668535 -33.57903585 -43.30231835 Zr 1.70996341 1.49207130 0.15300231 36.19098920 35.47683531 -21.35135336 Zr 1.53848316 -0.04225341 1.41852158 23.92386089 -31.44666384 32.85839275 Zr -0.04210664 1.38825682 1.27041603 -33.33816474 29.54886438 31.79527896