Triclinic periodic calculation 64 atoms 0.0 10.7214064 xlo xhi 0.0 10.7214064 ylo yhi 0.0 10.7214064 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 0.7474348 1.3566484 2.4661654 2 1 3.7930074 1.3823234 0.9870934 3 1 2.5737724 3.3474354 0.767949 4 1 3.7648994 4.8151694 2.1499764 5 1 3.0137604 1.4107964 3.2564374 6 1 0.508825 4.2596834 4.1341254 7 1 2.7813774 3.6322814 3.9277604 8 1 0.1382832 0.7145773 6.9015154 9 1 3.6051934 2.2632784 7.5728604 10 1 5.0505674 0.3277409 7.6820704 11 1 1.4727124 3.5669994 7.2343724 12 1 4.2625904 3.5307784 5.7049524 13 1 0.3298107 0.8699519 9.3512674 14 1 2.2715364 0.089122 10.4293864 15 1 1.1090834 4.8451154 9.1114294 16 1 0.404481 3.0790644 10.5059364 17 1 3.3529054 4.6064704 9.7055254 18 1 5.1918144 3.5385334 8.7477054 19 1 2.2743714 6.6393214 1.9588384 20 1 0.6296184 7.8485834 0.7798822 21 1 1.4862824 9.8212464 1.8076434 22 1 3.5755814 8.5946914 1.9677864 23 1 4.8230694 8.9096154 0.01598693 24 1 1.9380714 7.1030964 4.2243454 25 1 5.0036664 6.4133604 4.6205464 26 1 2.3549014 10.2595364 4.5353794 27 1 0.5440255 8.8893724 3.9173834 28 1 3.8541014 8.4869954 4.2980374 29 1 1.2484134 5.5950974 5.9667584 30 1 3.6811044 5.7701274 6.6082494 31 1 2.8084744 7.4203914 8.3104354 32 1 0.3466802 7.2536354 9.1186724 33 1 4.1707444 6.7461824 10.1490864 34 1 3.5592224 9.6026504 8.8681414 35 1 5.7262614 2.4390064 0.052592 36 1 7.5030264 3.3028134 1.4234364 37 1 6.0956634 5.1801994 1.6534804 38 1 9.4898854 4.4773164 0.8527513 39 1 7.3980934 2.5336164 3.6568184 40 1 10.3650864 1.1276694 4.5652574 41 1 8.3976124 0.3427561 3.6161054 42 1 6.4005564 4.3829354 4.9521654 43 1 9.3361484 3.1353254 4.9081954 44 1 6.9100414 1.0669064 6.4257824 45 1 6.6587564 4.8499854 7.2999014 46 1 8.9032674 4.9671784 7.9166624 47 1 9.8934264 2.8875254 7.1894014 48 1 8.1441614 1.6540974 8.3060294 49 1 6.4788484 0.6125187 9.5588894 50 1 6.9144514 8.0926724 0.6861008 51 1 9.6321404 8.1146384 2.3571034 52 1 9.7212584 10.4966864 1.6817724 53 1 8.0826594 5.9217414 4.0859664 54 1 6.5297464 7.1545084 2.8795724 55 1 10.0352464 5.7753134 2.7731444 56 1 5.8562804 6.9785144 6.7980034 57 1 8.0224134 7.4633084 5.8584324 58 1 10.0644264 6.7508624 6.9422544 59 1 7.4346854 9.7421484 5.3351684 60 1 8.7828334 10.3404964 7.2453314 61 1 6.4954374 6.1155304 10.2274864 62 1 8.9429984 6.1047924 9.9682064 63 1 9.8498584 9.5093244 9.2312094 64 1 8.1046154 10.0100564 10.6967964 Masses 1 28.0855