16
Lattice="0.0 -3.867385 0.0 4.824869 1.933692 0.020978 -0.211606 0.0 9.260248" Properties=species:S:1:pos:R:3:forces:R:3 energy=-139.11148661565122 stress="-0.024891750725025367 0.0002809455705347042 0.0006014412020693715 0.0002809455705347042 -0.025492842420658482 -4.26018831739462e-05 0.0006014412020693715 -4.26018831739462e-05 -0.019392887754405973" dipole="3.0147060639657834e-05 -1.0482603035792353e-05 -0.00013346184212115295" pbc="T T T"
O        1.62388000      -1.93369000       0.50834000       0.01517395       0.00237049       0.00507993
O        4.37908000      -1.93369000       1.43589000      -0.01048113      -0.00016627      -0.05117667
O        2.30214000       0.00000000       2.26895000      -0.00644744      -0.00234682       0.00385829
O        0.73677000      -1.93369000       3.15301000       0.03720999       0.00256648      -0.01480353
O        3.46527000      -1.93369000       4.12806000       0.05694160       0.00220539      -0.12949999
O        1.14800000       0.00000000       5.15316000      -0.05692710      -0.00220538       0.12959099
O        3.87650000      -0.00000000       6.12822000      -0.03721477      -0.00256648       0.01477379
O        2.31112000      -1.93369000       7.01228000       0.00649799       0.00234679      -0.00390238
O        0.23418000       0.00000000       7.84534000       0.01056091       0.00016616       0.05113662
O        2.98938000      -0.00000000       8.77288000      -0.01518237      -0.00237056      -0.00501995
Ti       1.27962000       0.00000000       0.41700000      -0.08226195      -0.00124617      -0.01455798
Ti       2.61430000      -1.93369000       2.43822000       0.07684012       0.00070267       0.20016762
Ti       0.46005000      -0.00000000       3.32578000      -0.03828484      -0.00157865       0.16735257
Ti       4.15322000      -1.93369000       5.95545000       0.03823206       0.00157867      -0.16738518
Ti       1.99897000       0.00000000       6.84300000      -0.07692847      -0.00070265      -0.20009454
Ti       3.33364000      -1.93369000       8.86423000       0.08227117       0.00124616       0.01448031