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=-0.8244815609613103 stress="-135.45547852708293 -2.1542022119273043 45.14162620743978 -2.1542022119273043 -95.29740947316628 33.555547798839825 45.14162620743978 33.555547798839825 -135.36606366132685" pbc="F F F" Ds -0.21000326 0.00555041 -0.25666169 -25.19544254 -11.26929161 -25.32062597 Ds 1.50080088 1.65702957 0.05781035 61.22092736 40.90586130 -68.43228252 Ds 1.42220491 -0.16094632 1.35584026 20.73105650 -41.97107507 42.33976094 Ds -0.15505035 1.68816228 1.46688881 -56.75654133 12.33450538 51.41314755