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=735.4826324337772 stress="-0.1486066485021177 0.019921764353997257 0.025712426455562674 0.019921764353997257 -0.19191402083436612 -0.03796996644048423 0.025712426455562674 -0.03796996644048423 -0.14427028246670648" free_energy=735.4826324337772 pbc="F F F"
H      10.66163028      10.39308889      10.79988243      16.28555661     -28.55765492     -51.74142552 
C      10.97950407      11.04998375      11.48232047     559.95395023   -1024.92449124    -489.57468455 
H      12.00954696      10.57722111      11.03203528       3.10876285     -12.93060393     -12.61744257 
H      12.92240090      11.15290046      11.20540452      13.64854244      -5.05846671      -1.69536760 
H      10.93968648      11.68773030      10.40536402     -19.65223338      -2.06888093     -32.16405226 
C      11.44291102      12.47817044      11.09268038    -381.13614775     599.85273684    -524.31980392 
C      12.19673490      11.84323236      10.67171396     308.90654165    -196.62748737    -324.45525437 
H      12.88598803      12.72678957      11.31431117      24.30285148      10.10726793      -4.83653835 
C      10.23253452      10.52826565      11.73116772    -358.24943833    -239.00813172     140.95798135 
H      11.51683160      11.23298063      12.89515655       5.77249430      -9.17668896      30.28133095 
H      11.92292194      10.68010453      11.83211019      44.41411862     -30.01300461      20.64861857 
H      12.91209149      10.83970192      12.79684797       0.83643162      -1.75914235      -1.21630401 
C      10.75902706      11.80021920      11.70934966    -762.26949443     969.96887389     459.44638184 
C      11.51114456      12.61276734      12.50455949    -184.85747532     364.09263422     453.33567274 
C      11.90018788      12.07643240      11.79632358     670.26992788    -408.71172871     304.44160579 
C      12.75372390      12.73345176      12.82727275      58.66561153      14.81476857      33.50928191