32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=12.889798886262259 stress="-0.07052866938896075 0.17657712807854392 -0.21600765920962514 0.17657712807854392 -0.22381136533314785 -0.26120703095914444 -0.21600765920962514 -0.26120703095914444 0.037377800560118794" free_energy=12.889798886262259 pbc="F F F"
H       0.30701710       0.08275465       0.11115484      -0.00101759       0.00019851      -0.00528257 
H       1.90850367       1.11011729       0.16531714       8.08558032     -10.41344729       1.71030729 
H       1.68351200       0.02784677       1.66115164      -0.22807985       0.01604134      -0.48892498 
C       0.24404962       1.36810690       1.62937675      -0.21408127      11.05282683       6.58315381 
H       2.73811743       0.22106009       0.48935508     -22.94202805     -44.34601810     -41.99076201 
C       4.77913633       1.35263676       0.18492541      -3.74005487     -11.87156213      13.42531813 
C       4.33178173       0.12263099       1.54530481       0.55710001      12.52141424       9.27945707 
C       2.85595044       1.62593290       1.34000708      23.68939875      66.50078291      -4.96540624 
C       0.23212867       2.89518391       0.17871475      -0.29376577       0.31343352       0.00636459 
C       1.59797115       4.70108438       0.17069286     -14.84643899       0.05568464      16.54802326 
C       1.34628414       2.79061752       1.95807650     -15.06826244       1.53452510      -4.06514404 
C       0.37522796       4.70523648       1.53444080      14.84930440      -0.06035974     -16.54823573 
C       2.93854939       3.03806039       0.07797747       0.17449907     -10.48446965      10.78104514 
H       4.51058441       4.72908629       0.17182342      -0.00611398      -0.00474523       0.00687751 
C       4.53304361       3.18232608       1.48141854       0.07576038      -0.01142547      -0.05901038 
H       3.00891510       4.38768467       1.47273340      -2.32412122      -0.04134136       3.01432250 
H       0.10432950       0.31796270       2.92398670       0.37225802       2.60290938      -3.68685421 
H       1.81029802       1.51234155       2.77769675     -14.96768274      -1.51923522      33.19335662 
C       1.73710026       0.09206911       4.35660733       0.00161109      -1.12541602       1.18832986 
H       0.40118237       1.35862565       4.53414221       0.00359919       0.00280426      -0.00332957 
C       3.03480345       0.03310309       2.81305510      24.34346560      -3.61135987     -11.97814225 
C       4.34472026       1.46070040       2.99928290      -3.45046866      -5.63300319      -1.81445505 
H       4.63680331       0.32251235       4.62091025      -1.81979786       1.31672716      -0.25409364 
H       3.35497728       1.25375291       4.44279053       2.37941371      -1.19180714      -0.57112713 
C       0.04052745       2.73417086       2.94170993       1.19079322      -2.79699478      -6.07087750 
C       1.95821638       4.37121856       2.83055200     -11.35288174      11.68619083      -7.37561768 
H       1.60431914       2.88526399       4.72337151      -0.00155575      -0.00379794      -0.01044120 
H       0.35450218       4.57623053       4.26502362       0.00481303      -0.00528178      -0.00369475 
H       2.98262747       3.07266722       3.00892939      15.51569376     -14.47958615       4.15408941 
H       4.08346912       4.69528968       3.28808150      -0.00856701       0.00105948      -0.00485007 
C       4.66707812       3.46648057       4.58592365       0.01952346       0.00015745       0.00824772 
H       2.71199234       4.37877926       4.49286562       0.00210378      -0.00490459      -0.00264390