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=7.595121250526805 stress="-77.60239885516819 3.201815143936278 -16.94055327759482 3.201815143936278 -59.41295835286346 -7.108489433567307 -16.94055327759482 -7.108489433567307 -59.89768853247943" pbc="F F F" Zr -0.03902326 -0.21780693 0.21813893 -35.33072121 -22.16443207 -33.21944821 Zr 1.26716069 1.69410236 -0.16903503 10.14738364 14.50044789 -15.63626341 Zr 1.38201197 -0.06699407 1.22002482 42.97822250 -12.91662471 28.88041877 Zr -0.22303573 1.41661558 1.46512192 -17.79488493 20.58060890 19.97529284