12
Lattice="5.085038 0.0 -0.002316 0.0 5.181646 0.0 -0.842566 0.0 5.17877" Properties=species:S:1:pos:R:3:forces:R:3 energy=-113.2223523709722 stress="-0.053422957292773555 1.1762886573989932e-07 -0.00045913040971050405 1.1762886573989932e-07 -0.05532921071285794 7.603150719078503e-07 -0.00045913040971050405 7.603150719078503e-07 -0.048118254960540015" dipole="0.00012058040555223107 0.00010791376384735037 -0.00018909173428421965" pbc="T T T"
Hf       1.23496000       0.21584000       1.07391000       0.11052670      -0.02332630       0.02393519
Hf       3.42880000       2.80667000       1.51316000      -0.11058216      -0.02360038      -0.02394689
Hf       0.81367000       2.37498000       3.66329000       0.11063287       0.02338806       0.02401976
Hf       3.00752000       4.96580000       4.10255000      -0.11066846       0.02355510      -0.02405652
O        2.80346000       1.34361000       0.08897000       0.03738825      -0.01327217      -0.01031423
O        4.56328000       4.37650000       0.85854000      -0.03658488       0.01939014      -0.00330325
O        0.10048000       1.78568000       1.72853000       0.03656342       0.01925892       0.00333519
O        1.86029000       3.93443000       2.49810000      -0.03723913      -0.01332748       0.01028371
O        2.38218000       1.24722000       2.67835000       0.03730879       0.01324823      -0.01012288
O        4.14200000       3.39597000       3.44792000      -0.03668397      -0.01925939      -0.00335583
O       -0.32081000       0.80514000       4.31791000       0.03671409      -0.01927198       0.00333377
O        1.43901000       3.83804000       5.08749000      -0.03737534       0.01321727       0.01019189