16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.555798788520395 stress="5.763110368849039e-05 1.357237351153382e-05 -5.852850246740764e-07 1.357237351153382e-05 8.350102665584647e-05 4.9249493699199675e-05 -5.852850246740764e-07 4.9249493699199675e-05 6.159322817475415e-05" free_energy=-2.555798788520395 pbc="F F F"
C       21.15976026      21.12845986      21.19883905       0.61041275       0.84950875       0.57408037
O       22.21743399      22.65029877      22.48916032      -0.98135346      -0.49011262       0.38350059
H       23.83643399      20.90287709      20.73136350      -0.00599267       0.01893895       0.02609881
C       25.27975412      22.24840012      22.74217457      -0.40252472      -0.17853052       0.34979836
H       21.18391280      23.85043600      20.71041165      -0.00732092       0.00878769      -0.02236183
H       22.53702547      25.48711413      22.83025293       0.37983178      -0.46058635       0.26958183
O       23.71621014      24.01898074      21.16613401       0.22011195       0.25020324      -0.23979676
H       25.47697737      25.30663065      22.34641137       0.02512652       0.00112696       0.01461783
C       21.09020594      21.13918523      23.95677659       1.12786303       0.97439616       0.72020747
C       22.65050642      22.33542991      25.21290831       0.28884295      -1.82267446      -2.23451263
O       23.75636321      20.88979497      24.00239915      -0.60955689       1.43012397       0.86865563
O       25.36619391      22.63162041      25.62430456       0.15465071       0.00528625       0.16056678
C       21.09176916      24.06487656      24.01477119       0.06753161      -0.20398681      -0.39244321
H       23.05238738      25.05699925      25.63386395       0.00216054       0.00906080       0.05281345
C       23.70763472      23.92139044      23.72274009      -0.89544028      -0.50686545      -0.52053071
O       25.46894375      25.64814488      25.01655486       0.02565712       0.11532345      -0.01027597