16
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=429.202690588 stress="-70.33725563572521 7.561460276773602 1.180758010453571 7.561460276773602 -59.04071899344637 -4.780350506591221 1.180758010453571 -4.780350506591221 -63.33747253621429" pbc="F F F"
O       0.48475961       0.09344523      -0.10244477     -48.82362085     -10.45349595     -51.17048972 
O       0.69809454       0.97094491       0.98171545     154.69459110    -238.58793046    -251.55060467 
O       1.55983692      -0.17816502       0.21219253      42.82932983     -61.29783123     -54.89070704 
O       2.17485375       0.87990665       0.25124836     259.18895348    -136.61672354      13.15839225 
O       0.28278197       1.56292602       0.13362859     -77.52821334      38.96632155    -101.52021164 
O       0.82327039       2.32034430       0.94154875       5.25196644     107.41431952     -42.84777917 
O       1.55473499       1.27059962       0.13661615    -175.13398278     125.12625064    -128.08601239 
O       2.15480033       2.12719504       0.65911865      67.55610364      73.40224571      -4.27789898 
O       0.31989000      -0.23264389       1.19046295     -76.73925539     -57.65332846      17.95991508 
O       0.54429349       0.83611608       2.28369179      -3.33291235     -47.32900092     117.44819713 
O       1.43932819      -0.27670350       1.31030927      28.32454588     -57.13898159      41.57840579 
O       2.15583543       0.37800951       1.95178472      57.44927748      -7.26005664      52.86243655 
O       0.29874826       1.27290972       1.38090187    -352.05809894     167.63998965     206.85198287 
O       0.43367503       2.30835534       1.99645637     -30.69815442      49.16333520      75.54211884 
O       1.48193431       1.33051025       1.42356623     118.80037763      26.58811976      74.12033272 
O       1.95342959       2.15085166       2.24793547      30.21909262      28.03676676      34.82192237