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=-6.681172843769059 stress="-45.960119863524106 8.600819977686402 -0.697403840472063 8.600819977686402 -46.723551992370766 6.4729980330269505 -0.697403840472063 6.4729980330269505 -46.97434823775753" pbc="F F F" W -0.29703668 -0.15112699 0.22083292 -15.49540271 -8.20131663 -9.09308322 W 1.28984966 1.48735431 -0.07700850 6.80063160 16.06616844 -22.06457985 W 1.40698366 0.18107110 1.32825321 24.64530374 -24.08334918 17.53503947 W 0.13102478 1.59995250 1.76120756 -15.95053262 16.21849737 13.62262360