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=18.068802728434264 stress="-0.0004344844680927206 1.5885827868691688e-05 7.64274264910251e-06 1.5885827868691688e-05 -0.00039598500560239096 -6.370087247707431e-05 7.64274264910251e-06 -6.370087247707431e-05 -0.0004043667221925229" free_energy=18.068802728434264 pbc="F F F"
O      20.85540510      21.11115480      21.11044915      -1.18012935      -0.86240160      -0.94676716 
O      22.70960170      22.31143450      22.19032222      -1.46922899       1.14855635       0.33758245 
O      23.78829595      20.83509776      21.14041416       1.31822304      -2.68631011      -2.25906694 
O      25.27812781      22.49446427      22.32834452       2.26494694      -0.16658145      -0.34660586 
O      20.87679405      24.02224746      21.20259391      -1.65827740       0.14563518      -1.18744917 
O      22.56504129      25.20865944      22.36550211      -2.57048188       4.33917115       1.61939845 
O      23.78802619      24.22277084      21.18584377       2.97523195      -0.90139644      -4.26501682 
O      25.68362810      25.69581920      22.58430451       0.86036012       0.76128175      -0.26486078 
O      21.26959405      21.17626233      23.85402479      -1.63657619      -1.15963071       0.71372044 
O      22.70996341      22.49207130      25.65300231      -0.47492665      -0.44557994       2.02764622 
O      23.81695174      20.95774659      23.91852158       0.74981799      -2.06657577       0.65519620 
O      25.45789336      22.38277110      25.27041603       1.37086355      -0.33425561       0.97745393 
O      21.19178619      24.02022338      24.13281571      -2.11224084       0.06531686       0.31387416 
O      22.43123496      25.53253581      25.64904689      -0.29660295       1.24861453       1.18848327 
O      23.78091226      24.02595688      23.96603997       0.97402948       0.15584214       0.56177449 
O      25.30598025      25.32157598      25.51361598       0.88499117       0.75831368       0.87463712