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=-7.019292375699094 stress="0.6067935163398094 0.025233677536776473 -0.013201125184319986 0.025233677536776473 0.4976444427752341 0.10277734705985318 -0.013201125184319986 0.10277734705985318 0.2498796617630414" free_energy=-7.019292375699094 pbc="F T F" N 0.28475322 -0.01658535 0.10989136 3.40323625 4.02772073 3.65665830 H 1.45587345 1.24267548 0.24571606 -3.60501395 -2.62315823 0.47607062 O 1.32607419 -0.08117910 1.71617402 -9.93306702 1.75208095 -0.77204973 B 0.10537101 1.20641190 1.76767637 10.13484473 -3.15664346 -3.36067919