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=1.4861657809656257 stress="-0.03737401494292815 0.004529144455944844 0.019142651004546908 0.004529144455944844 -0.28270072979494615 0.006173301362416959 0.019142651004546908 0.006173301362416959 0.043252348693949706" free_energy=1.4861657809656257 pbc="F F T" O 0.23010044 0.09566688 0.12528982 0.54750784 -2.32293414 1.26452595 O 1.62033173 1.67828948 0.33548638 0.91810370 2.21238935 0.41490848 O 1.29301824 0.07255377 1.51129231 -0.45771093 -2.47883434 -1.13943603 O 0.01258782 1.66911338 1.26042839 -1.00790062 2.58937913 -0.53999840