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=45.72413037212261 stress="-114.03730684402959 1.501317877496505 -2.383588704788771 1.501317877496505 -125.87187005519982 -31.58643151435693 -2.383588704788771 -31.58643151435693 -129.31160246274538" pbc="F F F" Zr 0.12968218 0.21980528 0.29977655 -39.62283283 -72.44008957 -75.82698238 Zr 1.68543805 1.45460942 0.07327937 30.61075791 36.16783241 -36.13819124 Zr 1.69989723 0.12961200 1.37425859 42.89019529 -38.09436493 35.99179691 Zr 0.15720406 1.26564846 1.38507600 -33.87812038 74.36662209 75.97337671