32
Lattice="44.17578002589289 0.0 0.0 0.0 44.17578002589289 0.0 0.0 0.0 44.17578002589289" Properties=species:S:1:pos:R:3:forces:R:3 energy=-66.88059116189538 stress="0.00024488942984335707 0.0002672105988653114 6.641252776237964e-05 0.0002672105988653114 7.479036739708318e-05 -0.0003210453612932645 6.641252776237964e-05 -0.0003210453612932645 -4.211292929880991e-05" free_energy=-66.88059116189538 pbc="F F F"
C      22.05612386      22.22311917      22.31727459       0.78156880       4.21207614       2.98182850 
H      23.82353587      23.59761354      22.50411765      -0.45719192       0.65793468       1.78091029 
H      23.79331356      22.40282030      23.74668271       0.44168945      -1.22776668       1.21337339 
O      22.29816422      23.47947744      23.58065082      -0.74025611      -4.52523285      -2.26363653 
H      25.30420065      22.00446952      21.94503360       1.98629886       0.81198950       1.43474985 
C      26.49898188      23.52972060      21.96923312      -0.93322320      -1.87615520       0.75437307 
V      26.58516802      22.26060614      23.45339008       4.25846365      -1.96534999      -6.34813266 
C      25.45289023      23.45804906      23.79808818       0.63640076       3.61589722      -3.03477255 
C      22.22322541      25.48928651      22.21104795       6.46000859       3.15178782       2.24127612 
C      23.65858717      26.85682855      21.99834509      -3.12358982      -4.96108647       0.85547736 
H      23.41594955      25.03242694      23.42462903      -3.14284276      -0.30659481      -1.89905604 
H      21.95572675      26.84752432      23.89700454       0.02284168      -2.78375024       2.15933565 
H      24.89218207      25.28541996      22.27738116      -0.73779238       1.63472598       0.44602860 
V      27.01875738      26.61212898      21.94258471      -2.12370224      -2.49066838       3.44954786 
O      26.66461633      25.05261364      23.49284310       0.93795170       2.84525576      -2.53660103 
O      25.18737878      26.59108414      23.70972333       2.68845983       0.50738786       0.62410381 
V      22.21010570      22.17212582      25.40122896       5.08739943     -14.72500561     -15.81957473 
O      23.66403252      23.46731188      25.26142601      -2.97023291       2.06972832       3.26303875 
O      23.56657174      21.87674907      26.79660673      -2.07516644       2.45472986      -2.07007825 
V      21.93660675      23.41961901      26.59467719      -2.84750996      10.01223522      16.69408263 
V      25.25346124      22.07459363      25.14618591      -1.92618797      -3.32907058       1.94476964 
C      26.80119259      23.71664142      25.33811378      -1.72684816      -3.49561152      -4.68459093 
C      26.73254144      21.90230583      26.76249584      -2.57993948      -0.30698274      -0.40573334 
V      25.31776423      23.67912405      26.59002689       6.14154314       1.70447991       5.27988535 
V      22.07771376      25.38513949      25.39693786      -4.79823618       9.20936077     -11.94111845 
H      23.41603891      26.78260014      25.33506077      -1.63563087      -3.60635494       1.96426374 
V      23.62663108      25.17822834      26.59799999       8.31612776       8.07530700       3.34806228 
O      22.05398101      27.01709070      26.76673151       1.51393073      -4.16090280      -1.50945902 
O      25.02374038      25.35483971      25.23330350       0.56195937       1.95332731       1.85857429 
C      26.58250585      26.72820113      25.21861779      -5.79519631      -2.82963148      -0.64625544 
O      26.69417364      25.07159956      26.96778274      -1.67400179       1.12472677       2.12534038 
H      25.31329442      26.77065131      26.84635920      -0.54709523      -1.45078584      -1.26001260