32
Lattice="76.35226821899414 0.0 0.0 0.0 76.35226821899414 0.0 0.0 0.0 76.35226821899414" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.99028261536061 stress="-4.356291805093192e-06 -9.102914651488093e-07 -2.054697378764988e-06 -9.102914651488093e-07 -3.1293460962188184e-06 2.118484360197524e-06 -2.054697378764988e-06 2.118484360197524e-06 -2.858235882899901e-06" free_energy=-13.99028261536061 pbc="F F F"
F      38.16465834      38.39676071      38.17137113      -0.04140337      -0.08477998      -0.01133921 
F      40.86381344      40.77534979      38.02838541       0.14702225       0.08208226       0.06124977 
F      40.94247692      37.97262653      41.20597201      -0.08149848       0.08566226      -0.06404988 
F      38.03940133      41.01081479      40.70148488       0.05577814      -0.03806623       0.34255643 
F      43.70586460      38.11850440      38.35493613      -0.20205305      -0.03710242      -0.17790385 
F      46.58934788      40.78019813      38.38622010      -0.02063305       0.13792489      -0.00454206 
F      46.21655239      38.07883228      40.70460426       0.13387711      -0.19207683       0.26017605 
F      43.60062563      40.70517063      41.00519333      -0.21859419       0.21822857      -0.14385825 
F      38.21388812      43.54095960      38.28107820      -0.17802469      -0.00232716      -0.26224466 
F      40.76967340      46.27257753      38.10790615       0.11004830       0.13195881      -0.06749612 
F      40.65401761      43.82330812      40.69712338       0.42390811      -0.27735621       0.36713112 
F      38.16399075      46.32172989      41.06220724      -0.07104041       0.13364419      -0.01368543 
F      43.60362580      43.59056441      37.99574382      -0.08275105      -0.08257292       0.06024223 
F      46.33687677      46.36697919      38.04803756      -0.04829226       0.06509539      -0.02168902 
F      46.18224888      43.83269486      40.66263694       0.12586863      -0.13850798       0.12421974 
F      43.56101823      46.27553892      41.26094107      -0.07057750       0.10215500      -0.18855336 
F      37.97960456      38.29719190      43.70500122       0.03591509       0.04605852      -0.04469292 
F      40.94185290      41.12466344      43.77918524      -0.09046733      -0.06243728      -0.31972453 
F      40.95264915      38.52896847      46.35878439      -0.12621584      -0.19485364       0.02915441 
F      38.20196189      41.06592901      46.41645690      -0.03099691       0.13724129       0.05942659 
F      43.56810724      37.93632804      43.77469787       0.10097689       0.06865724      -0.03392363 
F      46.27682643      40.86751880      43.30359273       0.16261432      -0.03859835       0.11840153 
F      46.53322644      38.19621391      46.39354172      -0.05251631       0.06756407      -0.03778072 
F      43.48376232      40.93218522      46.45827205       0.20007793       0.13292607       0.00780400 
F      38.14636423      43.86566286      43.75503041      -0.07455326      -0.22714142      -0.19146405 
F      41.01425583      46.47855843      43.82531810      -0.06918056       0.03650315      -0.13060548 
F      40.93200371      43.84272527      46.20094686       0.08314860      -0.22760959       0.19797911 
F      38.02945940      46.09187718      46.52060749      -0.03998143       0.05355345       0.07785732 
F      43.82950733      43.40117900      43.55468380      -0.25785566       0.14058378      -0.03209949 
F      46.32787994      46.33621365      43.80405877       0.08160513       0.08085680      -0.14632357 
F      46.18665102      43.76541262      46.32235751       0.16328902      -0.28729631       0.12162951 
F      43.66364043      46.13520999      46.30815922      -0.06749420       0.17003057       0.06414842