Triclinic periodic calculation 64 atoms 0.0 10.7327914 xlo xhi 0.0 10.7327914 ylo yhi 0.0 10.7327914 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 1.4851904 1.3673034 1.2350684 2 1 5.1098584 0.391309 2.0668944 3 1 2.2074374 3.5443774 1.6548264 4 1 0.4733257 4.7047024 0.6012469 5 1 3.4976044 5.3760514 2.2650654 6 1 3.7378754 4.4575084 0.1093202 7 1 1.9374964 0.7524193 3.4520224 8 1 4.0689434 1.7690964 3.7096284 9 1 1.7487804 4.3016584 4.7111444 10 1 5.0452444 3.8312714 3.0870004 11 1 4.4971084 1.4735354 6.0859554 12 1 0.1838645 4.2454964 6.6218564 13 1 5.0690624 4.7909894 7.3972864 14 1 3.3635774 3.5702614 6.2418914 15 1 1.8469694 1.0887284 8.4602704 16 1 0.2425154 1.6757774 10.0220614 17 1 2.9573704 0.5943366 10.4235314 18 1 1.9076524 3.4537014 8.0427074 19 1 1.9039444 5.3089704 9.5873674 20 1 0.9960664 6.7121524 1.6033934 21 1 2.6646384 9.2120044 0.5704916 22 1 4.9621844 9.0456654 0.9388684 23 1 1.0963134 7.5399134 3.7679034 24 1 2.5374774 6.4301314 5.1815474 25 1 2.6015304 9.2314534 3.0463754 26 1 4.0203924 9.2940614 4.9723504 27 1 4.8000794 8.0882984 3.0884344 28 1 0.8644005 6.5580284 6.7985994 29 1 5.2754914 7.7810034 6.2859294 30 1 2.2806214 8.3727544 7.2865574 31 1 0.6325666 9.9704814 7.5431744 32 1 2.0629604 7.7291324 9.5089434 33 1 5.1280714 7.9734404 8.6664704 34 1 5.6260984 1.6204474 0.1710171 35 1 9.1490134 1.1575224 2.0485174 36 1 9.6699114 -0.13302536 0.03002894 37 1 5.9074484 3.7889764 0.9074671 38 1 8.2324964 3.8137954 1.2738644 39 1 7.1908574 0.3023226 3.0506494 40 1 6.5296894 0.517415 5.2922754 41 1 10.3826614 0.7052706 4.0238444 42 1 6.8657634 3.8785584 4.6256524 43 1 10.4352114 3.1084124 4.4689044 44 1 8.7774664 4.4877424 3.4414544 45 1 7.8272724 2.2741524 6.0811464 46 1 6.0464754 2.6299584 7.6209784 47 1 7.5433454 0.633082 9.9872114 48 1 8.2548904 2.3037004 8.4341974 49 1 9.4353324 4.3747334 8.6132984 50 1 9.5708454 7.5123244 1.4182624 51 1 10.2525514 9.7794824 2.1908034 52 1 8.5682214 6.8451994 3.4184494 53 1 10.0187414 7.2880854 5.2264964 54 1 7.0817454 8.7024444 3.2967874 55 1 7.9954834 5.9919744 7.7205704 56 1 6.5289694 5.8203054 5.8918034 57 1 7.1516054 9.0212554 5.5859474 58 1 9.4468914 9.3166394 6.2028964 59 1 6.1880184 5.9252944 9.2222104 60 1 6.7061464 7.9367134 10.4783414 61 1 8.8375414 8.1484384 8.1346154 62 1 9.1020144 5.5530314 10.7186614 63 1 6.9727314 9.4575314 8.7105534 64 1 10.6697814 8.8067644 9.4536314 Masses 1 28.0855