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=10.74461488438407 stress="-1.2182194629090768 -0.18252217966639034 0.1228266089185343 -0.18252217966639034 -1.2080674307470582 -0.31616569236175895 0.1228266089185343 -0.31616569236175895 -0.4086061102670243" free_energy=10.74461488438407 pbc="T T F"
O       -0.14736324      -0.05439741       0.12263099      -3.03152614      -3.08124803      -4.92725344
O        1.54530481       1.45206007       0.12593290       6.14752190      -4.13487037      -4.79245629
O        1.51872183       0.09005960       1.41812645       1.12267469       2.38306344       0.37441904
O       -0.29877986       1.73212867       1.25294705      -4.23867046       4.83305496       9.34529069