16 Lattice="8.601100420828558 -3.5938621014531435e-17 -3.888448078681022e-17 4.2234471805277447e-16 6.125804716008735 -4.3895642851675767e-07 4.0252670402872853e-16 -4.2402419971286186e-07 6.297054229357081" Properties=species:S:1:pos:R:3:forces:R:3 energy=407.66861365647884 stress="0.00014990448369242318 -9.721372535005708e-21 0.0 -9.721372535005708e-21 3.075508878030383e-05 -1.0144596627467108e-08 0.0 -1.0144596627467108e-08 -2.7914609849644092e-05" pbc="T T T" Si 4.30055021 1.31397526 3.10508633 0.00000000 0.00243445 0.00261062 Si 0.00000000 4.81182927 -0.04344088 0.00000000 -0.00243397 0.00261022 Ba 4.30055021 4.74740166 6.21322092 0.00000000 0.00229680 0.00117328 Ba 0.00000000 1.37840219 3.06469420 0.00000000 -0.00229720 0.00117353 Cu 6.43996524 4.26746101 3.18541672 -0.00433443 0.00380303 -0.00169246 Cu 2.16113518 4.26746101 3.18541672 0.00433443 0.00380303 -0.00169246 Cu 6.46168556 1.85834307 6.33394395 0.00433397 -0.00380276 -0.00169276 Cu 2.13941486 1.85834307 6.33394395 -0.00433397 -0.00380276 -0.00169276 S 4.30055021 1.66530946 0.97704937 0.00000000 -0.00606259 0.00509611 S 0.00000000 4.46049488 4.12557637 0.00000000 0.00606193 0.00509605 S 4.30055021 5.29746176 3.22928689 0.00000000 -0.00294476 0.00081123 S 0.00000000 0.82834285 0.08076004 0.00000000 0.00294483 0.00081202 S 6.95782668 3.90699883 0.97188633 -0.00243178 -0.00233499 -0.00336965 S 1.64327374 3.90699883 0.97188633 0.00243178 -0.00233499 -0.00336965 S 5.94382394 2.21880583 4.12041352 0.00243164 0.00233497 -0.00336920 S 2.65727648 2.21880583 4.12041352 -0.00243164 0.00233497 -0.00336920