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=38.198856236428355 stress="-127.9455394128357 25.43533121422426 4.505441413580101 25.43533121422426 -107.42382386359338 2.943788773341751 4.505441413580101 2.943788773341751 -110.56962520785102" pbc="F F F" Zr 0.23171545 0.18190327 -0.17816502 -29.69841970 -27.61863087 -38.05534578 Zr 1.71219253 1.42485375 0.12990665 38.83132933 35.96536126 -30.80521832 Zr 1.28220450 0.28278197 1.56210000 60.56267354 -69.21608562 41.66489516 Zr 0.13362859 1.32702941 1.57034430 -69.69558316 60.86935523 27.19566894