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=-25.48290435416802 stress="0.000509388103672748 -3.10339280572877e-05 5.133362725657196e-06 -3.10339280572877e-05 0.0003921354699654575 -6.896705227793981e-05 5.133362725657196e-06 -6.896705227793981e-05 0.0002795004159682854" free_energy=-25.48290435416802 pbc="F F F"
O      21.02805905      20.78502229      21.14120549       1.01806823       1.76249996       1.29627287 
V      22.02676186      22.47717101      22.41378331      -0.48597258      -4.11069731      -5.03600957 
O      24.04683757      21.04263272      21.18292312      -1.20695699       0.52412710       1.09986921 
O      25.50795275      22.24043896      22.71547056      -1.96432908      -1.33506216       1.71073615 
H      21.01635763      23.60162705      20.92773702       2.25124194      -1.03633646       3.42114828 
V      22.27475215      25.32340474      22.39641720       3.73373885      -3.01367395      -3.07924779 
C      24.04797327      24.15944719      21.25900491      -4.40449548       1.95316537       2.92868493 
O      25.38008494      25.71933001      22.50693880      -0.42201768      -0.10612046      -0.15746669 
C      21.12784938      20.93372255      23.98887480       4.86656292       4.82528664      -2.21054539 
C      22.73666665      22.23656475      25.35025269      -1.46296322       1.47367419      -4.02834915 
V      23.70193606      21.01942903      24.10108311      -2.12717186       4.10216285       0.17122357 
C      25.70408111      22.51855009      25.45887194      -1.23764275      -1.00173852      -0.83742981 
V      21.03691384      23.70677130      24.07736569       1.76008352      -3.97946191       4.78247615 
H      22.88766308      25.59542752      25.34205618      -0.11398282      -0.02779125      -0.06845865 
H      24.26568631      24.04069781      23.84356094      -0.24786108      -0.04161722      -0.00091398 
H      25.29723902      25.52606700      25.48814862       0.04369809       0.01158314       0.00800988