Triclinic periodic calculation 64 atoms 0.0 10.5567 xlo xhi 0.0 9.188269999999997 ylo yhi 0.0 10.2608 zlo zhi -5.20932 -0.18786 0.0666744 xy xz yz 1 atom types Atoms 1 1 -0.283194 -0.38678499999999993 -0.11849199999999999 2 1 0.246866 -0.21605999999999997 2.8228099999999996 3 1 -0.08362189999999999 0.018240999999999993 5.31007 4 1 -0.293717 -0.3843439999999999 7.57864 5 1 -1.4306900000000002 2.29331 0.309847 6 1 -1.3574499999999998 2.294469999999999 2.1477 7 1 -1.1128199999999997 2.3011699999999995 5.57605 8 1 -1.0529000000000002 2.255229999999999 8.14996 9 1 -2.62682 4.2259199999999995 0.0845056 10 1 -2.6663199999999994 4.562239999999999 2.2429899999999994 11 1 -2.6421900000000003 4.527949999999999 5.15093 12 1 -2.7608700000000006 4.78142 7.5503 13 1 -4.004470000000001 6.84306 0.412644 14 1 -3.96448 6.835519999999998 2.60425 15 1 -4.07483 7.1438099999999976 5.12813 16 1 -3.9902400000000005 6.90046 7.834469999999999 17 1 2.3579699999999995 0.09013569999999999 0.0940267 18 1 2.51848 -0.25489699999999993 2.80735 19 1 2.6412300000000006 -0.026243599999999985 4.86429 20 1 2.73169 0.0293697 7.639439999999999 21 1 1.38694 2.3256699999999997 -0.401338 22 1 1.4501399999999995 2.0065999999999997 2.29982 23 1 1.3677700000000002 2.1757499999999994 5.22748 24 1 1.51859 1.9545199999999994 7.72489 25 1 -0.3784230000000002 4.634199999999999 0.27574599999999994 26 1 0.08759279999999958 4.568299999999999 2.62757 27 1 -0.12072900000000003 4.568719999999998 5.442799999999999 28 1 -0.05166589999999989 4.275529999999999 7.44726 29 1 -1.39631 6.570149999999999 0.0521927 30 1 -1.387 6.844549999999999 2.30582 31 1 -1.5380400000000003 6.921439999999998 4.91508 32 1 -1.1943499999999996 7.149209999999999 7.615429999999999 33 1 5.2052000000000005 -0.13365799999999997 -0.326167 34 1 5.258140000000001 0.27484899999999995 2.5427000000000004 35 1 5.06618 -0.15994999999999998 5.22987 36 1 5.529750000000001 0.24510399999999996 7.580349999999999 37 1 3.8944399999999995 2.4624699999999997 0.478395 38 1 3.97094 2.2827599999999997 2.83332 39 1 3.9066800000000006 2.19487 5.2001 40 1 3.6114100000000007 2.02753 8.00859 41 1 2.56457 4.626269999999999 0.184413 42 1 2.74023 4.604749999999998 3.00429 43 1 2.8301 4.452119999999999 4.83026 44 1 2.31952 4.476249999999999 7.888899999999999 45 1 1.4252400000000003 6.850229999999998 -0.353147 46 1 1.2568100000000004 6.758019999999998 2.46119 47 1 1.3348599999999993 6.668359999999999 5.0109 48 1 1.43576 6.511879999999999 8.1871 49 1 7.90631 0.003932409999999999 0.0217092 50 1 7.995110000000001 -0.22064499999999995 2.86668 51 1 8.02727 -0.03752979999999999 5.19594 52 1 8.09865 0.10407599999999997 8.003119999999997 53 1 6.838259999999999 2.2212499999999995 0.296203 54 1 6.46766 2.3408499999999997 2.33837 55 1 6.551289999999999 2.300889999999999 5.1773 56 1 6.59436 2.2618499999999995 7.902849999999999 57 1 5.54281 4.620799999999999 -0.248744 58 1 5.239700000000001 4.8069999999999995 2.51143 59 1 5.163969999999999 4.389949999999998 5.13699 60 1 5.532559999999999 4.228519999999999 8.04871 61 1 3.6655899999999986 7.00483 -0.027141 62 1 3.91947 6.599159999999999 2.9241099999999998 63 1 3.9969799999999993 6.807609999999999 4.87381 64 1 4.107329999999999 6.479949999999998 7.7269499999999995 Masses 1 28.0855