Triclinic periodic calculation 64 atoms 0.0 10.7298088 xlo xhi 0.0 10.7298088 ylo yhi 0.0 10.7298088 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 1.6684488635299999 0.1419294 1.7363018 2 1 3.9330985301900006 0.2112753 2.4546448 3 1 5.23191968046 1.6786048000000002 1.2144197999999997 4 1 2.2476236387500004 3.3413878 1.9420518000000002 5 1 0.5654290424439999 4.857850799999999 1.3851828 6 1 3.47285206024 2.6977448 0.040693299999999995 7 1 1.02754628021 1.8214627999999997 3.2540678 8 1 2.98773026009 1.1381618 4.4606487999999995 9 1 3.6473604014600003 4.297833799999999 3.5620408 10 1 2.03266521177 3.9271768000000002 7.3195088 11 1 3.51499203997 3.1477047999999996 5.5846608 12 1 2.0529340918999996 2.1088718 8.953426799999999 13 1 0.09468003781499999 0.7732303 9.304573799999998 14 1 3.26496274913 0.1784914 8.3028798 15 1 4.866962543410001 4.5477878 10.3401388 16 1 0.96618666239 7.231920799999999 1.5858908 17 1 3.11311239598 7.886324800000001 2.4479458000000003 18 1 2.80630500907 8.005689799999999 0.0661633 19 1 2.53403652737 6.251779800000001 4.0143838 20 1 1.31753357864 9.1284358 3.2458628 21 1 2.8255688440099997 9.5761878 5.1023788 22 1 0.8058371964179999 7.800345800000001 7.297250799999999 23 1 1.40540525031 5.8901958 6.0241267999999994 24 1 1.46919277677 10.047918799999998 6.8670698 25 1 5.047551293859999 9.9102298 5.8763438 26 1 1.65366321808 5.9425028 10.3128588 27 1 4.849570039 7.6443448 8.095805799999999 28 1 5.026403888280001 5.3074078 8.134402800000002 29 1 1.21795252111 9.761775799999999 10.437118799999999 30 1 4.521701453870001 9.405146799999999 9.725752799999999 31 1 8.120157917139998 0.0918169 2.0262558 32 1 9.530906758599999 1.2997398 0.4588587 33 1 8.1197591932 4.2470558 1.0041018 34 1 6.8506506717499995 2.9696278 2.4821317999999994 35 1 5.52208376879 0.6750212 4.2143298 36 1 8.003722656879999 0.3413853 4.3873688 37 1 7.97167389822 2.6655357999999993 4.546196800000001 38 1 5.88309656882 4.9338288000000015 3.2544528 39 1 10.075758853 3.4435188 3.7346038 40 1 5.79780762041 2.5317517999999994 5.6882198 41 1 5.33231242 0.9520478 7.3822398 42 1 7.507981652489999 0.09776239999999997 7.749521800000001 43 1 9.581986278999999 1.1555148 7.3011658000000015 44 1 7.321376455389999 4.693563800000001 7.971604800000001 45 1 10.4785787766 3.3727617999999997 7.0236418 46 1 10.0067350138 5.067158800000001 5.4223188 47 1 7.61077272993 1.1951028 9.8150078 48 1 6.904450988689999 3.4603577999999997 9.9187028 49 1 9.574854401309999 4.771365800000001 8.691779799999999 50 1 10.0304833343 3.5524597999999994 10.6413488 51 1 7.638759940889999 6.4815268 0.5844848 52 1 6.748903869239999 7.942141800000001 2.2596058 53 1 5.46834733884 6.118640800000001 1.3014128 54 1 6.323597782209999 10.497638800000002 0.40162219999999993 55 1 8.999245194179998 8.689222799999998 2.4033408 56 1 10.1068303358 8.4516458 0.2717152 57 1 7.0909227140399995 6.7413008 4.2549348 58 1 9.422659970529999 7.0366368 4.1416958 59 1 6.263411171710001 7.9523877999999995 6.195621800000001 60 1 7.92617942902 8.4820248 7.752418799999999 61 1 9.597402640579999 8.374361799999997 6.0845518 62 1 10.2373680415 10.5670388 5.4768888 63 1 6.82096550777 6.7481858 9.084289799999999 64 1 10.5255801977 6.8837118 9.2465418 Masses 1 28.0855