16
Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=369.7611678429516 stress="-0.1461413853968301 0.013040717146309595 0.009965357149533135 0.013040717146309595 -0.06625398532219497 -0.01782984853098375 0.009965357149533135 -0.01782984853098375 -0.08136849260611159" free_energy=369.7611678429516 pbc="F F F"
H      10.33622872      10.29086443      10.83865591     -82.07768665     -85.74301248     -25.17737874 
H      11.29997140      11.31511693      11.28112135      62.47430751      72.62708846      33.66148731 
H      12.12829329      10.50503068      10.24530476      19.20112074     -23.48204864     -12.50107103 
C      12.54998375      11.48232047      11.39379487     415.53377223    -189.05365588    -290.42696450 
C      10.74140249      12.23672153      10.74741067    -428.40519195      46.27003471     -30.05587495 
H      11.37827596      12.36956250      11.34494564     -31.42491619      33.92542913     -17.88184795 
C      11.74222034      12.15375420      10.69291102     348.48041596      67.79333532    -196.67534691 
H      12.75056123      12.51767060      11.24068321      19.71520801      22.99635643     -14.73120768 
H      10.54482646      10.85227342      12.10360069     -18.91498532     -15.13001535     -17.99090098 
H      10.86007198      11.23277487      12.75735450     -10.15359201     -14.27902728      13.38647110 
C      12.00616294      10.23116772      12.22775282       6.10823216     -43.97974731      14.22660211 
C      13.01554664      11.40599623      12.67244881      84.39547656     -56.83864930      69.90244648 
H      10.56638982      11.98824193      11.74471865     -40.18631861      -7.71004400      21.94030758 
C      11.34989117      12.66276613      12.78419309    -272.23069752     134.44379820     129.10767989 
C      11.80021920      11.70934966      12.01446938    -405.89443445    -100.05375381     206.72048975 
C      12.31607179      12.50455949      12.65018788     333.37928952     158.21391179     116.49510852