Triclinic periodic calculation 64 atoms 0.0 10.7433999 xlo xhi 0.0 10.7433999 ylo yhi 0.0 10.7433999 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 2.7729719 1.9969119 1.3471949 2 1 3.4444549 4.1081999 2.3119239 3 1 5.0762949 4.7134529 0.6245501 4 1 2.2125089 2.5748289 5.1133239 5 1 1.0446889 0.9121604 3.7832589 6 1 3.5478219 1.4077169 6.6765029 7 1 0.1433706 3.3185439 5.9532289 8 1 2.9122509 4.8487759 5.6739109 9 1 4.2125189 5.0943179 7.6850239 10 1 2.4944709 1.7080079 8.8528579 11 1 0.9651409 1.4588389 10.6910099 12 1 4.2311379 2.5648719 10.3749599 13 1 1.1554879 5.1395839 10.5859799 14 1 2.8193769 4.0515169 9.2533599 15 1 1.4900869 7.3898979 0.6845395 16 1 3.7683969 6.7835219 0.6015337 17 1 1.5270309 9.8339389 0.3022891 18 1 3.3569379 10.4284399 1.6152109 19 1 4.8116119 8.5489429 1.7208929 20 1 1.4715699 7.3445329 3.0327359 21 1 3.3613329 6.0553809 3.6836279 22 1 2.1006099 9.5918569 3.4377879 23 1 0.6920094 5.5735989 6.0702189 24 1 5.0507179 7.7180039 6.0898899 25 1 2.7005229 8.0018979 6.1190599 26 1 0.9269936 9.3664049 5.4747779 27 1 4.0233879 9.9191729 5.9104979 28 1 2.0277999 7.7359419 8.3204109 29 1 0.370966 5.8863599 8.4368129 30 1 4.1426719 7.0846459 9.0576049 31 1 2.4153439 10.0016199 8.8948279 32 1 4.6815259 9.3779889 8.9962729 33 1 6.5723009 1.4427769 1.9320619 34 1 8.8923929 1.8357549 1.6829309 35 1 5.7042889 3.5773439 2.6315819 36 1 10.5046499 3.3923329 0.7632844 37 1 9.4341159 0.5809774 3.6114269 38 1 6.4266239 5.2594649 4.0955299 39 1 8.9809209 2.7069539 4.7398489 40 1 5.4260729 2.4266069 5.5907789 41 1 6.8357889 0.5630398 5.6872839 42 1 9.1094269 0.6954044 5.9702899 43 1 8.8448639 1.9092059 7.9576719 44 1 7.2572239 3.9299259 5.8834009 45 1 5.8361549 3.3592499 7.7267729 46 1 6.7342579 0.5312712 10.5220099 47 1 7.2749319 2.6230809 9.5052749 48 1 10.6161799 3.4071239 8.2529239 49 1 8.5597189 4.3472879 10.4893399 50 1 8.9065789 5.0921349 8.3128999 51 1 7.2095859 6.0039939 0.7262439 52 1 8.9017419 10.6197799 0.4203008 53 1 5.3841299 7.4135119 3.7855189 54 1 8.2219179 6.0326959 2.8369929 55 1 10.5912499 7.4028229 4.7817269 56 1 7.6696679 8.1732539 3.7116739 57 1 7.1660519 10.5108299 3.5127149 58 1 6.0347069 9.5744799 7.0892909 59 1 9.6984259 8.6109999 8.0041559 60 1 8.6905469 8.2866669 5.8725139 61 1 7.8631769 7.2300919 8.3655779 62 1 8.2891279 7.8469369 10.5282099 63 1 6.2462669 8.9743659 10.6799299 64 1 9.7178419 10.7502399 8.9928289 Masses 1 28.0855