16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-83.26242154556066 stress="-0.0006158264781773625 0.00010947325221234277 -0.00022791777526525608 0.00010947325221234277 -0.0007837736471279173 -7.534074695115041e-05 -0.00022791777526525608 -7.534074695115041e-05 -0.0009430385103594376" pbc="F F F" W 21.33865591 21.15452953 21.08105497 -0.96486948 -0.82283368 -1.37908472 Re 22.41062519 22.37728820 22.78055862 2.93095621 1.85157563 -7.20216365 W 23.98050916 20.81578444 21.25164428 -0.14482984 0.96553806 0.77953662 Re 25.64379487 22.74140249 22.73672153 6.47354945 -8.77131229 -2.09629753 W 21.11316276 24.10895215 21.04912415 1.45696045 -1.15997401 1.06408020 W 23.03151781 25.24222034 22.62988543 -6.83574391 7.54669966 -6.79651799 Re 24.19291102 23.65316066 21.04427449 -3.42721854 -0.26458514 -3.40724611 Re 25.64224486 25.13627503 22.71863753 4.57340808 6.33854074 -7.58578789 Re 21.15809073 20.81702931 24.21067128 -2.32458940 -3.88993100 -1.59962003 W 22.23253452 22.52826565 25.23116772 5.31228883 0.51523163 9.82955412 Re 24.06799256 21.26554664 24.15599623 -5.67688169 -11.25001054 -5.56414193 Re 25.42244881 22.43792997 25.28940289 7.86958951 7.24403240 8.63513961 W 21.02728466 23.85646128 23.92360581 -7.31117853 5.13821073 -3.85428932 W 22.73692435 25.30021920 25.20934966 0.44561781 2.26572799 4.32860282 W 24.17422964 23.86276734 23.75455949 -1.65789174 -5.80157229 9.54723414 Re 25.52864773 25.57643240 25.01375757 -0.71916723 0.09466210 5.30100166