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=-2.4290986849037814 stress="5.7859821121883307e-05 1.437241958076758e-05 2.3721384312426334e-08 1.437241958076758e-05 8.32833574123507e-05 4.934987694174194e-05 2.3721384312426334e-08 4.934987694174194e-05 6.219669598896279e-05" free_energy=-2.4290986849037814 pbc="F F F"
C      21.15976026      21.12845986      21.19883905       0.63149141       0.86610301       0.57933608 
O      22.21743399      22.65029877      22.48916032      -0.99850007      -0.50853260       0.43556988 
H      23.83643399      20.90287709      20.73136350       0.00147107       0.00674913       0.00701050 
C      25.27975412      22.24840012      22.74217457      -0.40986951      -0.19138566       0.35075967 
H      21.18391280      23.85043600      20.71041165      -0.02356715       0.02468501      -0.03675973 
H      22.53702547      25.48711413      22.83025293       0.37455191      -0.44247329       0.27941129 
O      23.71621014      24.01898074      21.16613401       0.23040331       0.22130045      -0.22231374 
H      25.47697737      25.30663065      22.34641137       0.02785515       0.01835204       0.00486297 
C      21.09020594      21.13918523      23.95677659       1.13631392       0.96975615       0.71567306 
C      22.65050642      22.33542991      25.21290831       0.31138705      -1.83240608      -2.22791148 
O      23.75636321      20.88979497      24.00239915      -0.62352875       1.45599823       0.87211103 
O      25.36619391      22.63162041      25.62430456       0.14430640       0.00305368       0.14539010 
C      21.09176916      24.06487656      24.01477119       0.07158490      -0.21074855      -0.40986902 
H      23.05238738      25.05699925      25.63386395      -0.02588424       0.01431765       0.04758978 
C      23.70763472      23.92139044      23.72274009      -0.88827086      -0.49544300      -0.53637454 
O      25.46894375      25.64814488      25.01655486       0.04025546       0.10067383      -0.00448585