16
Lattice="9.077169512090954 -4.986903991258133e-17 -5.5341875127928536e-17 4.3480278814338344e-16 6.211070585201095 5.695767832987608e-08 4.133576474046232e-16 1.4155865308351558e-07 7.21492813478477" Properties=species:S:1:pos:R:3:forces:R:3 energy=844.960702002437 stress="0.00011091129181164311 -9.721372535005708e-21 0.0 -9.721372535005708e-21 0.00036597127671045493 3.3226395105800783e-09 0.0 3.3226395105800783e-09 -0.00027409200570657137" pbc="T T T"
Hf       4.53858476       1.43780668       3.51602422       0.00000000       0.01233367      -0.00437852
Hf       0.00000000       4.77326412      -0.09143980      -0.00000000      -0.01233366      -0.00437854
Ba       4.53858476       4.58858841       6.86811280       0.00000000       0.01255980       0.00565316
Ba       0.00000000       1.62248226       3.26064888      -0.00000000      -0.01255962       0.00565305
Cu       6.77787523       4.13210852       3.77149445      -0.00173150       0.00048591      -0.00466289
Cu       2.29929428       4.13210852       3.77149445       0.00173150       0.00048591      -0.00466289
Cu       6.83787906       2.07896236       7.37895866       0.00173139      -0.00048599      -0.00466322
Cu       2.23929045       2.07896236       7.37895866      -0.00173139      -0.00048599      -0.00466322
Se       4.53858476       1.48422643       0.94188833       0.00000000       0.00082030      -0.00082807
Se       0.00000000       4.72684420       4.54935246       0.00000000      -0.00082023      -0.00082819
Se       4.53858476       5.16405271       3.76203549       0.00000000       0.00094264       0.00143462
Se       0.00000000       1.04701809       0.15457142       0.00000000      -0.00094266       0.00143467
Se       7.15511268       4.13267930       1.36924181       0.00174847       0.00081643       0.00409387
Se       1.92205684       4.13267930       1.36924181      -0.00174847       0.00081643       0.00409387
Se       6.46064154       2.07839153       4.97670591      -0.00174840      -0.00081647       0.00409391
Se       2.61652797       2.07839153       4.97670591       0.00174840      -0.00081647       0.00409391