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=-5.259236206637267 stress="0.4065105940188435 -0.3120776156075259 0.020108696066654407 -0.3120776156075259 0.45534508939630597 -0.11243440142401226 0.020108696066654407 -0.11243440142401226 0.10007911529549939" free_energy=-5.259236206637267 pbc="F T F"
C        0.13236414      -0.26055061       0.01619234       5.10627702      -3.66003522       0.66691323
O        1.30772007       1.53790681       0.07493195      -5.01794540       1.86854976       1.08344211
C        1.63169046       0.23295849       1.60637032      -3.79478177       4.44747898      -1.14479793
H        0.29740101       1.28561866       1.57730756       3.70645016      -2.65599352      -0.60555741