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=-5.583646464443987 stress="0.29523057090031357 -0.03309114574654485 0.03147584516364077 -0.03309114574654485 0.2803475584763108 0.11280272866344242 0.03147584516364077 0.11280272866344242 0.41639293157140034" free_energy=-5.583646464443987 pbc="T F T"
C       2.76416454       0.31906573       0.07126988      -8.32164685       2.26906973       2.56181352 
H       1.51854952       1.73027128       0.20102412      -0.29072785      -0.23008691       0.78162786 
C       1.55957798       0.31212150       1.52989580       7.46787773       4.05376121       0.15828649 
O       0.06409643       1.50351310       1.41638742       1.14449698      -6.09274402      -3.50172786