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=12.658283333258389 stress="-54.55372772291118 9.97330260154678 -15.786404667630713 9.97330260154678 -76.71836086981197 -7.923352637974439 -15.786404667630713 -7.923352637974439 -71.67187773369494" pbc="F F F" Zr 0.29768454 -0.01726309 -0.13934333 -30.88523592 -16.75850074 -36.34037177 Zr 1.67089611 1.47011124 -0.29779682 14.98775642 16.85979426 -6.46681319 Zr 1.21755886 -0.14458569 1.39917148 36.15352358 -34.68253381 27.40680980 Zr 0.26235339 1.34838096 1.71005355 -20.25604408 34.58124028 15.40037516