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=-10.802711773242113 stress="-0.1630442106512204 0.10836246570480652 0.025707813200238374 0.10836246570480652 -0.02494465839581074 0.14661293186375868 0.025707813200238374 0.14661293186375868 -0.5443623717010272" free_energy=-10.802711773242113 pbc="F F T" C 0.46317700 0.10989136 2.95587345 -1.68509379 -1.30920201 6.55848550 H 1.24267548 1.56729228 2.78392701 -0.46811723 -2.57328452 1.23788639 V 1.27328590 0.31740443 1.60537101 5.15910477 -0.15998948 -3.16548033 O 0.26767637 1.21243667 1.29960156 -3.00589374 4.04247601 -4.63089155