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=470708.94835449546 stress="-92011.91109514507 57362.866579275906 2984.9423930207095 57362.866579275906 -78258.1915832732 18773.135626403855 2984.9423930207095 18773.135626403855 -40462.144871858836" pbc="F T T" Th 0.21231332 -0.24284289 0.13873260 -1020337.17996082 960870.17755664 -192071.46921421 Th 1.29537967 1.58833061 0.31459767 1233836.13311050 -689704.91508116 -341504.10795706 Th 1.64499174 0.36630572 1.59428343 769758.24511099 -550687.16004791 212220.64481501 Th 0.16636483 1.17296113 1.58471468 -983257.19826067 279521.89757243 321354.93235626