16 Lattice="8.68135241807378 -4.259435231406434e-17 -4.705634099470832e-17 4.2037840800721457e-16 5.994701298334456 7.719511919942897e-07 4.000766246783615e-16 7.579484254123658e-07 6.876175469498761" Properties=species:S:1:pos:R:3:forces:R:3 energy=481.7416648705452 stress="0.0002859742610877909 -1.9442745070011416e-20 -1.9442745070011416e-20 -1.9442745070011416e-20 0.0006947279661626154 3.011351066134339e-09 -1.9442745070011416e-20 3.011351066134339e-09 -0.000401795955235861" pbc="T T T" Zr 4.34067621 1.42838422 3.31218117 0.00000000 0.00599716 -0.00683521 Zr 0.00000000 4.56631033 -0.12590831 -0.00000000 -0.00599756 -0.00683439 Ba 4.34067621 4.49031520 6.57627243 0.00000000 0.00870502 0.01441005 Ba 0.00000000 1.50438103 3.13818858 0.00000000 -0.00870587 0.01440986 Cu 6.46753752 4.05012318 3.52631486 -0.00240148 0.00296267 -0.00373430 Cu 2.21381490 4.05012318 3.52631486 0.00240148 0.00296267 -0.00373430 Cu 6.55449109 1.94456942 6.96440621 0.00240209 -0.00296268 -0.00373434 Cu 2.12686132 1.94456942 6.96440621 -0.00240209 -0.00296268 -0.00373434 S 4.34067621 1.46519194 0.84485694 0.00000000 -0.00209682 0.00001938 S 0.00000000 4.52950363 4.28294258 0.00000000 0.00209700 0.00001930 S 4.34067621 5.04288249 3.57240773 0.00000000 0.00000460 0.00321710 S 0.00000000 0.95181053 0.13432690 0.00000000 -0.00000403 0.00321445 S 6.86428980 3.88865317 1.27528239 0.00374796 -0.00288151 -0.00098823 S 1.81706262 3.88865317 1.27528239 -0.00374796 -0.00288151 -0.00098823 S 6.15773794 2.10604179 4.71337383 -0.00374818 0.00288235 -0.00098958 S 2.52361448 2.10604179 4.71337383 0.00374818 0.00288235 -0.00098958