16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.34449943646347 stress="0.0006653173809893371 0.00017529177480928788 6.5267567014612275e-06 0.00017529177480928788 0.0005032680413594382 -8.952700390296914e-06 6.5267567014612275e-06 -8.952700390296914e-06 0.00028406550605648275" free_energy=-21.34449943646347 pbc="F F F"
O      20.85281438      20.81458865      20.90488908      -0.05917955      -0.03886076      -0.00108323 
H      22.54620175      22.89511797      22.72580078      -1.23533583       1.25089403       3.07321451 
O      24.02433008      21.31412139      21.11989048       0.11512745      -0.31237041       0.86468748 
C      25.54313966      22.44832183      22.75980354      -2.47944227      -1.42680007       1.67416738 
H      21.14496190      24.48326783      20.97550715      -0.01212627       0.00264733      -0.00677875 
C      22.60338854      25.55213267      22.73384050       1.99767148      -0.27326742       0.23358113 
H      23.88106935      23.69961036      21.03439620       0.02475251       0.08346285      -0.03977861 
V      25.44857885      25.68843096      22.70300083      -3.08156362      -1.10389446      -1.28329711 
C      21.29169807      20.96863002      23.94630638       7.77132148       3.32135168       3.46195014 
V      22.53851086      22.64982991      25.24795387      -0.82532886       3.44941450     -11.57313468 
V      23.82929456      20.78747849      23.89476746      -2.26377589       4.18534419      -1.69163233 
O      25.24804494      22.78095696      25.08282673      -2.02599431       0.85191764      -0.27461351 
C      21.26008946      23.87675974      23.82230465       4.70333140      -3.34785694       1.65176363 
H      22.87580358      25.04987395      25.12036125       1.08212351      -2.20823039       0.29138882 
O      23.96208228      23.57193064      23.93198894      -0.57447095      -0.05230522       2.85498674 
V      25.32743118      25.29546282      25.09264401      -3.13711027      -4.38144655       0.76457839