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:Z:I:1:forces:R:3 energy=-1.8964983643614983 pbc="T F F" O 0.03253581 0.14904689 -0.21908774 8 0.26804183 -0.25134043 -0.06440246 O 1.60609294 1.46603997 -0.19401975 8 -0.19313375 0.24623494 0.30241880 O 1.32157598 0.01361598 1.35198705 8 0.05732335 0.33853234 0.04902401 O -0.02432459 1.56329927 1.43745442 8 -0.13223142 -0.33342685 -0.28704034