32
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=28.40932553656069 stress="-0.0009479841650528882 0.00010923125422847037 -1.5998424745863493e-05 0.00010923125422847037 -0.0008938666778628871 0.00010886720593552013 -1.5998424745863493e-05 0.00010886720593552013 -0.0006111640535784224" free_energy=28.40932553656069 pbc="F F F"
O      20.83694141      21.29004398      20.73387496      -0.40706401       1.51089809       1.48587665 
O      22.58501927      22.56603388      21.00693356      -2.10896499      -2.90996877      -6.98624133 
O      22.66501753      21.22580078      22.42866320      -0.89976320      -2.42270633       3.01797134 
O      20.94177862      22.49955875      22.30381683      -1.31374242      -4.72397036      -3.34820188 
O      23.94832183      21.43851828      20.96667242       2.57896481      -0.38468608      -3.83292679 
O      25.77143892      22.40295338      21.29443622       0.73802496      -4.97724706      -0.07117961 
O      25.74759167      21.11018303      22.42518197       2.09208680       1.27777848      -1.55839821 
O      23.71514513      22.48702489      22.44857885       0.76896079      -7.52937027       4.04726913 
O      21.18843096      24.17061300      21.24453430      -6.34028207      10.82424109       5.59456199 
O      22.25216167      25.44630638      20.73924045       1.84081217       2.23917236      -1.32645432 
O      22.64982991      23.74795387      22.34158846       1.96456167       1.35662208       1.03496584 
O      21.03087126      25.10633079      22.29731885      -2.73658096      -4.44903134      -6.56937950 
O      24.28095696      23.97558512      21.26008946       2.16414025       1.04733104      -3.97562881 
O      25.37675974      25.32230465      21.28460712       2.44549085       5.46111541      -1.86342679 
O      25.25346517      23.91576364      22.27715687       5.20444679      -2.58745733      -1.52126142 
O      23.74014891      25.43198894      22.32743118      -4.42077842       4.27799280      -1.68277545 
O      20.79546282      20.70940621      23.88310396      -1.17753828      -0.90187604       0.28659482 
O      22.22956938      22.33885520      24.18453754      -3.48166739      -2.52600851       3.11580096 
O      22.73010044      21.13372728      25.62528982       1.45646465       0.12631650      -2.65373649 
O      21.12033173      22.67828948      25.70692126       0.86458591       1.31909802      -0.30609978 
O      23.79301824      20.73241985      24.07255377      -1.37910438      -3.71238450       1.32977717 
O      25.51129231      22.51258782      24.16911338       1.95270553      -0.67728669       2.97266476 
O      25.33553433      21.12365747      25.45588739      -0.25892554       0.50531994      -0.57031665 
O      24.14343313      22.34681875      25.36894099       1.49499537      -2.15636336       3.09066654 
O      21.04737131      24.03238783      24.24404962      -3.17131493       1.90174840       2.55933131 
O      22.36810690      25.62937675      23.82984801      -1.05334583       2.55646936       1.82245189 
O      22.59119645      23.79640878      25.71456242      -1.57523885       1.60607470       3.96375503 
O      21.20502395      25.35263676      25.39715813       0.53059450      -1.73836725      -1.93527743 
O      23.83178173      23.88323780      23.76192411       1.65287088       2.73896750       1.91703465 
O      25.63870608      25.16671434      24.12263099       0.67323035      -0.31622381       4.19959898 
O      25.54530481      23.95206007      25.62593290       1.97065429       2.34328956      -2.27432932 
O      23.84000708      25.39901191      25.37554802      -0.06927932       0.92051240       0.03731273