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=-1.9650501860143625 stress="0.3059717843228299 -0.01120103635714402 -0.06109596979273888 -0.01120103635714402 0.4651102927982243 -0.03397939492812462 -0.06109596979273888 -0.03397939492812462 0.06781619420814412" free_energy=-1.9650501860143625 pbc="T T F" O -0.28843667 -0.08261918 0.15093924 -3.83938625 -0.40700441 0.74412092 O 1.64803915 1.25925689 0.14526935 2.58934119 -0.07708393 0.42287474 O 1.53806039 0.07797747 1.76599513 -2.15749961 1.78300438 -0.62770532 O 0.17918122 1.48546561 1.66192607 3.40754467 -1.29891605 -0.53929034