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=95.69296140573546 stress="-481.50886432176196 -32.75910573598851 58.71467292227365 -32.75910573598851 -714.8001081249568 -305.3907897256721 58.71467292227365 -305.3907897256721 -574.4069955357807" pbc="F F F" Ds -0.28677777 -0.28658495 0.20092125 -136.72145967 -352.58899203 -284.38244351 Ds 1.35861596 1.64858491 -0.19225984 144.75277664 51.84804755 -174.44371014 Ds 1.56183711 -0.17495957 1.34186865 163.95863385 -104.62232486 45.88635100 Ds 0.06070078 1.25806373 1.29905979 -171.98995082 405.36326933 412.93980265