16 Lattice="8.578383704150028 -3.0572544982184915e-17 -3.621575095718675e-17 4.255951279800679e-16 6.1432215667476004 4.672294482963951e-05 4.0364203986687535e-16 4.474728691596111e-05 6.555731355286539" Properties=species:S:1:pos:R:3:forces:R:3 energy=425.1219680768709 stress="-6.178923056158187e-05 0.0 0.0 0.0 0.0002361126105288273 -2.8218500706745864e-08 0.0 -2.8218500706745864e-08 -4.498296428300921e-05" pbc="T T T" Ti 4.28919185 1.29797025 3.18500261 0.00000000 0.00998894 -0.00011515 Ti 0.00000000 4.84527061 -0.09284532 -0.00000000 -0.00998940 -0.00011418 Ba 4.28919185 4.74172874 6.39725180 0.00000000 -0.00222447 0.00460371 Ba 0.00000000 1.40165912 3.11929436 0.00000000 0.00222008 0.00460511 Cu 6.39989796 4.15535037 3.32858654 0.00335668 0.00199441 -0.00142590 Cu 2.17848575 4.15535037 3.32858654 -0.00335668 0.00199441 -0.00142590 Cu 6.46767668 1.98795183 6.60642317 -0.00335786 -0.00199353 -0.00142443 Cu 2.11070702 1.98795183 6.60642317 0.00335786 -0.00199353 -0.00142443 S 4.28919185 1.61506563 0.90793944 0.00000000 -0.00694403 -0.00135932 S 0.00000000 4.52824315 4.18581490 0.00000000 0.00694618 -0.00135919 S 4.28919185 5.18558448 3.36410428 0.00000000 0.00563949 0.00027548 S 0.00000000 0.95765116 0.08618310 0.00000000 -0.00563938 0.00027373 S 6.88477859 3.97602709 1.11376484 -0.00127319 -0.00211056 -0.00044682 S 1.69360512 3.97602709 1.11376484 0.00127319 -0.00211056 -0.00044682 S 5.98280122 2.16719897 4.39160935 0.00127192 0.00211149 -0.00044550 S 2.59558248 2.16719897 4.39160935 -0.00127192 0.00211149 -0.00044550