16 Lattice="8.730943291613032 -5.117856554673817e-17 -4.705394078142536e-17 4.1585129220716483e-16 6.110124890145883 2.36560668519984e-06 4.0244155081366906e-16 2.2139732321738533e-06 6.761021851087313" Properties=species:S:1:pos:R:3:forces:R:3 energy=615.793964040409 stress="0.00014689012834754055 -7.291029401254282e-21 0.0 -7.291029401254282e-21 0.0002859391824391453 1.332202095445277e-08 0.0 1.332202095445277e-08 -0.00016591429723650892" pbc="T T T" Hf 4.36547165 1.36431869 3.26019350 0.00000000 0.00580523 -0.00386057 Hf 0.00000000 4.74580792 -0.12031738 -0.00000000 -0.00580483 -0.00385930 Ba 4.36547165 4.57650763 6.51492475 0.00000000 0.00089163 0.00556867 Ba 0.00000000 1.53362657 3.13441185 0.00000000 -0.00089358 0.00556935 Cu 6.50825659 4.13674228 3.45076860 0.00155083 0.00276257 -0.00104059 Cu 2.22268670 4.13674228 3.45076860 -0.00155083 0.00276257 -0.00104059 Cu 6.58815821 1.97338714 6.83127918 -0.00155059 -0.00276383 -0.00103969 Cu 2.14278508 1.97338714 6.83127918 0.00155059 -0.00276383 -0.00103969 S 4.36547165 1.50960924 0.83471949 -0.00000000 -0.00684960 -0.00339663 S 0.00000000 4.60052165 4.21522974 0.00000000 0.00684960 -0.00339501 S 4.36547165 5.11480656 3.50454480 0.00000000 0.00042962 0.00014569 S 0.00000000 0.99531903 0.12403630 0.00000000 -0.00042861 0.00014424 S 6.92605236 3.94629057 1.20496030 0.00180242 -0.00425233 0.00162906 S 1.80489093 3.94629057 1.20496030 -0.00180242 -0.00425233 0.00162906 S 6.17036286 2.16383540 4.58547127 -0.00180252 0.00425408 0.00162939 S 2.56058043 2.16383540 4.58547127 0.00180252 0.00425408 0.00162939