32
Lattice="44.17612313717764 0.0 0.0 0.0 44.17612313717764 0.0 0.0 0.0 44.17612313717764" Properties=species:S:1:pos:R:3:forces:R:3 energy=-67.52888863000949 stress="0.00023473539434579538 0.00025656756169258 7.001694815517986e-05 0.00025656756169258 9.19239920578442e-05 -0.0003197559877448242 7.001694815517986e-05 -0.0003197559877448242 -4.049983857766146e-05" free_energy=-67.52888863000949 pbc="F F F"
C       22.05629542      22.22329072      22.31744614       0.20853843       4.23654693       3.01096940
H       23.82371911      23.59779678      22.50428920       0.12239212       0.69937475       1.53317867
H       23.79349680      22.40299185      23.74686595       0.62950294      -0.96060428       1.06682560
O       22.11749479      23.47966068      23.58083406      -0.26618644      -4.83844587      -1.21578449
H       25.44359718      22.00464108      21.94520516       1.83162467       1.63377566       0.74007673
C       26.49918850      23.52990385      21.96940467      -1.41074137      -2.88294777       0.65608594
V       26.58537463      22.26077769      23.45357332       4.90475863      -1.57971788      -5.61925956
C       25.45308515      23.45823231      23.79827142       0.43837634       3.25794059      -2.91651350
C       22.22339697      25.48948144      22.21121951       6.51510081       3.13819161       2.30114078
C       23.65877041      26.85703517      21.99851664      -3.10780186      -4.95720293       0.81993654
H       23.41613279      25.03262186      23.42481227      -2.97329439      -0.09811971      -2.07468257
H       21.95589831      26.84773093      23.89718778       0.06655590      -2.70642069       2.13761046
H       24.89237700      25.28561489      22.27755271      -0.76323748       1.61693668       0.55733411
V       27.01896399      26.61233560      21.94275627      -2.10081703      -2.48440264       3.46531400
O       26.66482294      25.05280857      23.49302634       0.87448629       2.87840159      -2.55171659
O       25.18757371      26.59129076      23.70990657       2.66009623       0.48577922       0.60494033
V       22.21027725      22.17229738      25.40142388       4.75664273     -14.75860525     -15.79426253
O       23.66421576      23.46749512      25.26162094      -3.34458717       1.96488459       2.68810808
O       23.56675498      21.87692062      26.79681335      -2.07521742       2.51139857      -2.10967083
V       21.93677830      23.41980226      26.59488380      -2.85197447      10.00276917      16.65931474
V       25.25365617      22.07476519      25.14638083      -1.79683742      -3.25710267       2.01908036
C       26.80139920      23.71682466      25.33830871      -1.77282490      -3.56335830      -4.69207408
C       26.73274805      21.90247738      26.76270245      -2.67391216      -0.29850301      -0.45968976
V       25.31795915      23.67930729      26.59023350       6.29821744       1.63540187       5.18707852
V       22.07788532      25.38533442      25.39713279      -4.88937367       9.06070480     -11.88510923
H       23.41622215      26.78280676      25.33525569      -1.60217018      -3.55536353       1.92144489
V       23.62681433      25.17842326      26.59820661       8.25082035       7.98693215       3.41843374
O       22.05415257      27.01729731      26.76693813       1.53887366      -4.14326424      -1.56469521
O       25.02393530      25.35503464      25.23349842       0.48510702       2.00114785       1.88664085
C       26.58271246      26.72840774      25.21881272      -5.71888495      -2.77431100      -0.65919407
O       26.69438025      25.07179449      26.96798935      -1.73049338       1.18523569       2.16373215
H       25.31348934      26.77085793      26.84656581      -0.50273927      -1.43705193      -1.29459347