16
Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=429.20269058809106 stress="-0.08912260595061404 0.009580940265116824 0.0014961094222057938 0.009580940265116824 -0.07480904232523558 -0.006057064505205859 0.0014961094222057938 -0.006057064505205859 -0.08025335301660301" free_energy=429.20269058809106 pbc="F F F"
O      10.98475961      10.59344523      10.39755523     -48.82362085     -10.45349595     -51.17048972 
O      11.19809454      11.47094491      11.48171545     154.69459110    -238.58793046    -251.55060467 
O      12.05983692      10.32183498      10.71219253      42.82932983     -61.29783123     -54.89070704 
O      12.67485375      11.37990665      10.75124836     259.18895348    -136.61672354      13.15839225 
O      10.78278197      12.06292602      10.63362859     -77.52821334      38.96632155    -101.52021164 
O      11.32327039      12.82034430      11.44154875       5.25196644     107.41431952     -42.84777917 
O      12.05473499      11.77059962      10.63661615    -175.13398278     125.12625064    -128.08601239 
O      12.65480033      12.62719504      11.15911865      67.55610364      73.40224571      -4.27789898 
O      10.81989000      10.26735611      11.69046295     -76.73925539     -57.65332846      17.95991508 
O      11.04429349      11.33611608      12.78369179      -3.33291235     -47.32900092     117.44819713 
O      11.93932819      10.22329650      11.81030927      28.32454588     -57.13898159      41.57840579 
O      12.65583543      10.87800951      12.45178472      57.44927748      -7.26005664      52.86243655 
O      10.79874826      11.77290972      11.88090187    -352.05809894     167.63998965     206.85198287 
O      10.93367503      12.80835534      12.49645637     -30.69815442      49.16333520      75.54211884 
O      11.98193431      11.83051025      11.92356623     118.80037763      26.58811976      74.12033272 
O      12.45342959      12.65085166      12.74793547      30.21909262      28.03676676      34.82192237