Triclinic periodic calculation 64 atoms 0.0 10.6656 xlo xhi 0.0 9.23397 ylo yhi 0.0 10.3337 zlo zhi -4.97231 -0.327096 -0.195415 xy xz yz 1 atom types Atoms 1 1 -0.269864 0.23092 0.150138 2 1 -0.0875565 -0.0678843 2.65688 3 1 -0.185583 -0.124002 5.16787 4 1 -0.247475 -0.149113 7.80081 5 1 -1.25185 2.31497 0.102783 6 1 -1.33009 2.23681 2.65045 7 1 -1.41558 2.25796 5.21533 8 1 -1.14297 2.1204 7.89381 9 1 -2.51993 4.49406 -0.372763 10 1 -2.6487 4.51515 3.14803 11 1 -2.69338 4.55335 5.23236 12 1 -2.78635 4.54035 7.63353 13 1 -3.83312 6.93047 0.249743 14 1 -3.90752 6.87022 3.16907 15 1 -3.86715 6.9359 5.69365 16 1 -4.35586 6.71649 8.22945 17 1 2.73978 0.250479 0.264014 18 1 2.45161 -0.251013 3.08769 19 1 2.36726 -0.197814 5.7056 20 1 2.37282 -0.20985 8.20905 21 1 1.27975 2.31073 0.316546 22 1 1.17099 2.43543 2.59249 23 1 1.14626 2.27147 4.94613 24 1 0.981892 2.30646 7.62899 25 1 -0.260907 4.57694 0.0580022 26 1 -0.0623344 4.12569 2.85372 27 1 -0.0164066 4.50643 5.53346 28 1 -0.162872 4.45286 8.24652 29 1 -1.19615 6.91341 0.10063 30 1 -1.34338 7.21594 2.72001 31 1 -1.37111 6.78307 5.60835 32 1 -1.09603 6.92252 7.93792 33 1 5.33237 -0.106624 0.192363 34 1 5.19552 -0.238581 2.97809 35 1 4.99624 -0.0362326 5.00484 36 1 5.05364 -0.386067 7.87787 37 1 3.99803 2.21015 0.233408 38 1 3.97567 2.14844 2.78868 39 1 3.90325 2.05717 5.26576 40 1 3.47646 2.12088 7.88982 41 1 2.68309 4.51814 0.690749 42 1 2.7196 4.49899 2.723 43 1 2.53387 4.44411 5.25645 44 1 2.293 4.34024 8.08897 45 1 1.40598 6.86991 0.345363 46 1 1.60283 6.83551 2.85126 47 1 1.40119 6.78628 5.44533 48 1 1.15342 6.62457 8.01249 49 1 7.8877 -0.147419 0.331857 50 1 7.85387 -0.183106 2.82822 51 1 7.95477 -0.0834911 5.40081 52 1 7.66753 -0.299617 8.03622 53 1 6.65006 2.14477 0.31074 54 1 6.49847 2.32513 2.7962 55 1 6.46599 2.06218 5.48338 56 1 6.50653 2.09269 8.21289 57 1 5.30681 4.27758 0.277018 58 1 5.13302 4.46818 2.7415 59 1 5.18495 4.37346 5.46131 60 1 5.10463 4.3449 8.43696 61 1 4.15322 6.44677 0.28988 62 1 3.78088 6.40766 2.84763 63 1 4.20867 6.52345 5.40704 64 1 3.7067 6.59139 8.45526 Masses 1 28.0855