16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-47.95709154046078 stress="-32.63326843228184 -4.040459946657663 -6.6513783530140405 -4.040459946657663 -18.813931833613694 -17.72608932123555 -6.6513783530140405 -17.72608932123555 -32.40803997455978" pbc="F F F" Cu 0.09713756 -0.08812475 0.43794420 0.69663526 0.72004187 -0.04112310 Cu 1.56693724 1.69410236 1.51640302 -0.20426247 -1.91278201 -0.01192058 Cu 2.83662140 0.00628529 -0.08007795 -0.51499129 0.93144844 0.70989034 Cu 4.40657626 1.29087417 1.62232598 -0.42424026 0.83475802 -0.19663310 Zr 0.22586561 3.05956040 -0.27385471 -1.73277687 -0.95790840 -0.81029357 Zr 1.52103145 4.27761356 1.56727805 -5.61187447 6.65930602 3.73352386 Zr 2.89362841 3.23573857 0.02724172 -2.50255663 -10.03286112 -14.00506052 Zr 4.27538150 4.20296332 1.34887301 9.79754339 6.07614807 8.48195636 Cu 0.51851746 -0.03925423 2.95746554 -2.25509283 -2.57477934 -3.45838174 Zr 1.12519468 1.12454252 4.53648541 1.68426018 2.71381900 4.72219990 Cu 2.72742469 0.39337817 2.94833346 1.73226836 -0.66242303 -0.18783656 Cu 4.76120756 1.72199106 4.70195438 -0.94414079 0.13533113 -0.80918647 Zr -0.03568003 3.04396501 3.36830815 -1.96459623 -0.47557187 -0.64552973 Zr 1.86089797 4.73854596 4.26922180 -1.33118912 2.97753243 2.46292177 Cu 2.78229695 3.02031036 3.17788198 2.31990873 -4.43539227 -0.18100714 Zr 4.37702951 4.35635190 4.59345876 1.25510503 0.00333308 0.23648028