Triclinic periodic calculation 64 atoms 0.0 10.7511 xlo xhi 0.0 8.98999 ylo yhi 0.0 10.0731 zlo zhi -5.54664 -0.388053 -0.11722600000000001 xy xz yz 1 atom types Atoms 1 1 -0.16654599999999997 -0.017694399999999996 -0.0891954 2 1 -0.0801454 -0.006871230000000006 2.5670699999999997 3 1 -0.139186 0.0037650499999999807 5.21165 4 1 -0.07792429999999997 0.13365499999999994 8.23057 5 1 -1.4275999999999998 2.272379999999999 -0.0839582 6 1 -1.5903999999999998 2.4488899999999996 2.49939 7 1 -1.3720299999999999 2.443729999999999 5.09418 8 1 -1.4283399999999995 2.0374799999999995 7.707399999999999 9 1 -2.86888 4.319599999999999 -0.0783759 10 1 -2.95266 4.47468 2.6613699999999993 11 1 -2.7669599999999996 4.814509999999999 4.9491 12 1 -2.896469999999999 4.572949999999998 7.65896 13 1 -4.171869999999999 6.750429999999999 -0.0184919 14 1 -4.262999999999999 6.731969999999999 2.57204 15 1 -4.323699999999999 6.7532999999999985 5.11108 16 1 -4.097129999999999 6.787789999999999 7.845359999999999 17 1 2.6008499999999994 0.0434026 0.544478 18 1 2.5572899999999996 0.11016699999999999 2.6674200000000003 19 1 2.52133 0.026905699999999973 5.74083 20 1 2.47204 0.302688 8.06951 21 1 1.2745099999999998 2.30791 0.133273 22 1 1.1104799999999997 2.19455 2.64609 23 1 0.9140669999999997 2.34107 5.207099999999999 24 1 1.0499599999999998 2.65497 7.65514 25 1 -0.1054559999999996 4.63483 -0.0897397 26 1 -0.43574799999999986 4.265469999999999 2.6907199999999993 27 1 -0.45662299999999945 4.234229999999999 5.37017 28 1 -0.434687999999999 4.779749999999999 7.89267 29 1 -1.7236799999999999 7.0927999999999995 0.16869799999999996 30 1 -1.6162499999999993 6.812599999999998 2.96357 31 1 -1.6270599999999993 6.675329999999998 5.62778 32 1 -1.9884899999999999 7.047399999999999 7.948559999999999 33 1 5.36331 0.15067899999999998 0.017012399999999997 34 1 5.058349999999999 -0.18762 2.5787599999999995 35 1 5.11868 0.15558099999999994 5.385509999999999 36 1 5.119449999999999 0.18031599999999995 7.87744 37 1 3.4622199999999994 2.4885499999999996 0.087702 38 1 3.836869999999999 2.3982000000000006 2.48518 39 1 3.4831400000000006 2.66269 5.14157 40 1 3.6050300000000006 2.4458599999999997 8.03153 41 1 2.507040000000001 4.650659999999999 -0.254655 42 1 2.69693 4.57759 2.6154499999999996 43 1 2.3462900000000007 4.65143 5.356749999999999 44 1 2.0352500000000004 4.781959999999999 7.5446599999999995 45 1 0.9939709999999992 6.961479999999998 -0.14961099999999997 46 1 1.0447999999999995 6.93212 2.87759 47 1 0.9624809999999996 6.886309999999999 5.21805 48 1 0.8004159999999992 6.53349 7.92678 49 1 7.664269999999999 0.44708500000000007 0.37531699999999996 50 1 7.807419999999998 0.20903799999999997 2.8303099999999994 51 1 7.59486 0.0906671 5.5093499999999995 52 1 7.65951 0.272012 8.526129999999998 53 1 6.50408 2.5304499999999996 0.700283 54 1 6.464089999999999 2.49648 3.1932 55 1 6.41771 2.46292 5.4027 56 1 6.34526 2.4910599999999996 7.770649999999999 57 1 5.376379999999999 4.73646 0.51975 58 1 5.056729999999998 4.72759 2.60401 59 1 5.043620000000001 4.68387 5.39048 60 1 4.72881 4.779879999999999 7.8303899999999995 61 1 3.779240000000001 6.93132 0.307909 62 1 3.818330000000001 6.815989999999998 3.16615 63 1 3.6038499999999996 6.9713899999999995 5.46765 64 1 3.5988100000000007 6.9444 7.906009999999999 Masses 1 28.0855