32
Lattice="40.948268600921885 0.0 0.0 0.0 40.948268600921885 0.0 0.0 0.0 40.948268600921885" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30.23706128399244 stress="0.0007575529866026806 1.891762423743055e-05 -0.00019778990752947637 1.891762423743055e-05 0.0008004673924694971 1.7759702589376012e-06 -0.00019778990752947637 1.7759702589376012e-06 0.0007980410100352356" free_energy=-30.23706128399244 pbc="F F F"
H      20.49996208      20.63284930      20.53385693       2.10440956       0.49869173       1.79398165 
H      21.87481215      21.69676639      20.61896462      -0.92899821      -2.21417698       1.99031679 
C      21.85666462      20.43865227      21.83034081      -1.79038890       5.52047350      -3.10779804 
C      20.61155092      21.88704917      22.10357801       0.46222754      -5.65710282       4.66768174 
O      23.44606737      20.69745076      20.61564095      -2.48324892       0.57050112       3.60057301 
O      24.83167892      21.95477488      20.59929716      -0.29748609      -0.27728396       0.90687570 
H      24.97270379      20.59595845      22.13202301      -1.58338775       0.82150568       1.73390851 
H      23.42801350      21.96415838      21.78078505       0.22641182       0.57189497      -3.80791680 
O      20.43337646      23.61409514      20.47353672       0.40478369       3.05511451       2.01529557 
H      22.13621224      24.45410912      20.46337351      -0.26431287      -1.99146089       0.95036718 
O      22.05664627      23.37849001      22.11076368       1.25572495       0.87997253       2.16347337 
C      20.37220042      24.99699386      21.90219570       0.27646335      -4.10522130       1.02836522 
O      23.27046689      22.99741768      20.42555924      -0.37224548       0.05535811       1.42253764 
C      25.01285552      24.84924999      20.51779956      -1.94042590       0.25537822       1.50771188 
H      24.82291594      23.16851319      22.17975796      -1.54332159      -1.20215626       2.32153402 
C      23.47768450      24.97347843      21.99255395       2.79772952       0.65778791       4.27186827 
O      20.42517630      20.66142663      23.21507729       2.16295872       4.59782140      -4.67062728 
H      22.20203732      21.72959441      23.63358491       0.36070681      -1.08804082       1.29480537 
C      21.97998914      20.44800514      25.07934477      -0.75142916       4.76141367      -1.90333415 
O      20.48027412      21.72953937      24.75233275       3.69064438      -2.09219899       0.32299087 
O      23.54782822      20.54373740      23.26881253       2.16819116       2.58749855      -1.07822957 
C      24.66828681      21.89660359      23.61660352      -4.83382964      -1.45113825       2.47082941 
O      24.88151268      20.45685937      24.62934136      -2.51958127       4.50122168      -0.78381836 
C      23.62260447      21.78764433      24.97691577       2.85914465      -3.82247484      -1.80394368 
C      20.47384648      23.63084446      23.22283352       1.83555841       1.80880169      -5.28903723 
C      21.95623877      24.87598742      23.15763578      -1.85872083      -0.53710292      -5.69921743 
C      21.96926321      23.29642168      24.93475397       1.62054911       2.10332031      -0.15671943 
H      20.83043848      24.94450744      24.66187107       1.30414438      -1.24379732      -0.16076839 
O      23.45088537      23.27330715      23.35404520       3.96145673      -3.03073167      -1.18847797 
H      24.66966664      24.83931556      23.18188512      -2.82587498       0.18628673      -3.55219618 
H      24.96044359      23.23877736      24.89303780      -0.49404550      -1.68445415      -1.28789118 
H      23.17730267      24.62517501      24.80595501      -3.00380768      -3.03570114       0.02685948