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=1.3282178944218528 stress="0.026762387570592374 0.06516095717930927 0.03104171713654716 0.06516095717930927 0.055007278335495624 0.15930389384754942 0.03104171713654716 0.15930389384754942 -0.04545328259706505" free_energy=1.3282178944218528 pbc="F T F"
O        0.00041025       0.25551247       0.06482696       0.54458019       2.14847967       0.25586527
O        1.34620060       1.51821382       0.15586213       0.09109626       0.90719112      -1.15150449
O        1.40395547      -0.16773400       1.37482261      -0.59904524      -2.03623953       0.47065089
O        0.12036030       1.21654740       1.74843919      -0.03663121      -1.01943127       0.42498832