Triclinic periodic calculation 64 atoms 0.0 10.7125679 xlo xhi 0.0 10.7125679 ylo yhi 0.0 10.7125679 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 1.7542769 2.4791759 0.9091595 2 1 1.4170189 0.3159447 1.8096709 3 1 4.6370509 1.1737229 0.4427883 4 1 0.1768713 5.1806699 1.6359419 5 1 3.8985859 3.2215599 1.7003379 6 1 3.7182349 2.2162899 3.9523599 7 1 1.4530869 5.4878689 3.7271719 8 1 0.9606929 3.3551749 2.9297129 9 1 1.6150159 1.5754369 7.6811819 10 1 2.2624769 1.0350759 5.3957209 11 1 5.1358689 1.0156739 7.3014229 12 1 1.4923839 4.4727349 5.9776039 13 1 3.8875579 3.8163769 5.6746739 14 1 0.1342108 0.5929366 9.2349019 15 1 3.4984299 1.0841119 8.9823409 16 1 0.6907213 4.0830419 10.2385479 17 1 2.0520449 3.8455319 8.2828479 18 1 4.6828219 4.4340319 10.4825379 19 1 0.9295569 7.4237269 1.2843589 20 1 3.6006619 6.2710679 0.7400148 21 1 4.7847439 9.0760529 1.9185829 22 1 4.4913339 5.8148199 4.5452299 23 1 5.2824869 8.0198519 3.9931939 24 1 1.2571569 10.1381679 3.9813359 25 1 3.0119159 8.6241039 4.4155889 26 1 0.4371623 6.5948439 6.6398939 27 1 4.7409869 7.0455919 7.9869049 28 1 0.8964767 8.8094369 7.3769959 29 1 3.9853059 10.2274179 5.8755739 30 1 0.3658932 7.2758629 9.7639099 31 1 3.2032399 5.7535449 9.1881629 32 1 1.4004219 9.3469119 9.6011579 33 1 5.3170449 9.6370599 10.4077879 34 1 3.5791779 9.4941499 8.9132929 35 1 7.7254829 0.6333289 1.0530529 36 1 5.8135589 0.4211362 2.4437889 37 1 8.0981029 2.9638259 0.6537495 38 1 8.6915829 4.6468829 2.3111309 39 1 9.5139179 2.7765229 3.4561659 40 1 5.8625569 2.9518139 4.5581069 41 1 5.5698789 4.5707739 2.8607829 42 1 8.7127849 4.6090259 4.7188429 43 1 6.9378509 1.2774269 5.8329329 44 1 9.2531369 0.7382356 5.8539909 45 1 8.8873599 3.4446319 7.6610119 46 1 10.2210279 3.0019129 5.7462969 47 1 6.5917359 1.8088679 10.0055579 48 1 7.2482559 5.0655249 8.1504919 49 1 9.6934309 2.6204509 9.6889299 50 1 6.8823819 8.0002919 2.2123029 51 1 5.9405539 6.0870299 1.0211399 52 1 9.5931139 8.2451529 0.5332597 53 1 9.8677349 10.3723779 1.5539259 54 1 8.4585299 8.0316569 4.1514419 55 1 10.1745679 6.4369959 4.5000179 56 1 6.0077259 10.2116579 4.6310879 57 1 9.5887299 10.1032279 3.9073309 58 1 7.4508319 7.9396439 6.3417419 59 1 6.0588419 6.0293539 6.3519169 60 1 9.6526909 10.0427879 7.6863469 61 1 6.5196909 6.8494099 9.5026229 62 1 8.9642469 6.5524669 7.5020009 63 1 6.6624579 10.5359779 8.7041289 64 1 8.1090779 8.4994099 8.6917739 Masses 1 28.0855