$cell vectors 1.0 16.2779923405210489 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.6320973498616942 0.0000000000000000 -9.3425844380395358 0.0000000000000000 9.3759078039472250 12 8 40 24 Direct 0.1967999999999999 0.0370000000000002 0.2919999999999998 # Ca1 0.8017000000000002 0.0499000000000000 0.2121000000000002 # Ca2 0.5038999999999998 0.0282000000000005 0.0312999999999999 # Ca3 0.6968000000000001 0.5370000000000003 0.2919999999999998 # Ca4 0.3017000000000000 0.5498999999999999 0.2121000000000002 # Ca5 0.0039000000000000 0.5281999999999996 0.0312999999999999 # Ca6 0.1968000000000000 0.9630000000000000 0.7919999999999997 # Ca7 0.8016999999999999 0.9501000000000002 0.7120999999999996 # Ca8 0.5039000000000000 0.9717999999999996 0.5313000000000000 # Ca9 0.6967999999999999 0.4629999999999999 0.7919999999999997 # Ca10 0.3016999999999998 0.4501000000000001 0.7120999999999996 # Ca11 0.0038999999999998 0.4717999999999996 0.5313000000000000 # Ca12 0.1176000000000000 0.0512000000000001 0.0018000000000002 # Si1 0.8692000000000002 0.9806999999999994 0.0018000000000002 # Si2 0.6176000000000001 0.5512000000000001 0.0018000000000002 # Si3 0.3692000000000001 0.4806999999999995 0.0018000000000002 # Si4 0.1176000000000001 0.9488000000000001 0.5018000000000002 # Si5 0.8692000000000002 0.0192999999999996 0.5018000000000002 # Si6 0.6176000000000000 0.4487999999999999 0.5018000000000002 # Si7 0.3692000000000002 0.5192999999999997 0.5018000000000002 # Si8 -0.0098000000000000 0.9093999999999999 0.3428999999999999 # O1 1.0019000000000002 0.9087999999999995 0.1582000000000001 # O2 0.7827000000000000 0.9781999999999992 0.0234000000000000 # O3 0.2122000000000000 0.0545999999999996 -0.0133999999999997 # O4 0.3367999999999998 0.7340999999999999 0.3968999999999998 # O5 0.3665000000000000 0.2699000000000001 0.4404999999999998 # O6 0.1522999999999999 0.2708999999999996 0.1063999999999999 # O7 0.1366000000000003 -0.1917999999999997 0.0812000000000002 # O8 0.5928000000000000 0.8932000000000000 0.2696000000000002 # O9 0.4182999999999999 -0.0305000000000001 0.2665000000000000 # O10 0.4901999999999999 0.4093999999999998 0.3428999999999999 # O11 0.5019000000000002 0.4088000000000003 0.1582000000000001 # O12 0.2826999999999998 0.4781999999999994 0.0234000000000000 # O13 0.7122000000000003 0.5545999999999995 -0.0133999999999997 # O14 0.8367999999999999 0.2340999999999999 0.3968999999999998 # O15 0.8664999999999998 -0.2301000000000000 0.4404999999999998 # O16 0.6523000000000001 0.7708999999999996 0.1063999999999999 # O17 0.6366000000000001 0.3082000000000004 0.0812000000000002 # O18 0.0928000000000002 0.3931999999999999 0.2696000000000002 # O19 0.9183000000000001 0.4694999999999999 0.2665000000000000 # O20 -0.0098000000000001 0.0906000000000002 -0.1571000000000000 # O21 1.0019000000000000 0.0911999999999997 0.6582000000000001 # O22 0.7827000000000002 0.0217999999999997 0.5234000000000000 # O23 0.2122000000000001 0.9453999999999996 0.4866000000000003 # O24 0.3368000000000003 0.2658999999999992 -0.1030999999999997 # O25 0.3664999999999999 0.7301000000000000 -0.0595000000000002 # O26 0.1522999999999997 0.7290999999999996 0.6063999999999998 # O27 0.1365999999999997 1.1917999999999995 0.5811999999999996 # O28 0.5928000000000001 0.1068000000000001 0.7696000000000002 # O29 0.4183000000000001 1.0304999999999991 0.7665000000000000 # O30 0.4902000000000000 0.5905999999999993 -0.1571000000000000 # O31 0.5019000000000000 0.5911999999999997 0.6582000000000001 # O32 0.2827000000000000 0.5217999999999998 0.5234000000000000 # O33 0.7121999999999997 0.4453999999999995 0.4866000000000003 # O34 0.8368000000000004 0.7658999999999991 -0.1030999999999997 # O35 0.8665000000000002 1.2301000000000000 -0.0595000000000002 # O36 0.6522999999999999 0.2290999999999996 0.6063999999999998 # O37 0.6365999999999999 0.6917999999999996 0.5811999999999996 # O38 0.0928000000000000 0.6068000000000001 0.7696000000000002 # O39 0.9182999999999999 0.5305000000000002 0.7665000000000000 # O40 0.4960000000000002 0.4149999999999997 0.2430000000000002 # H1 0.2280000000000001 0.2399999999999994 0.0000000000000000 # H2 0.1500000000000002 0.4499999999999998 0.3750000000000002 # H3 0.0299999999999999 0.3600000000000001 0.2700000000000001 # H4 0.4300000000000000 0.1049999999999997 0.3119999999999999 # H5 0.3460000000000000 -0.0249999999999996 0.1640000000000001 # H6 0.9960000000000003 0.9149999999999997 0.2430000000000002 # H7 0.7279999999999999 0.7399999999999994 0.0000000000000000 # H8 0.6500000000000004 0.9500000000000000 0.3750000000000002 # H9 0.5300000000000000 0.8600000000000000 0.2700000000000001 # H10 0.9299999999999999 0.6049999999999998 0.3119999999999999 # H11 0.8460000000000001 0.4750000000000004 0.1640000000000001 # H12 0.4960000000000003 0.5849999999999995 0.7430000000000002 # H13 0.2279999999999999 0.7599999999999997 0.5000000000000000 # H14 0.1499999999999996 0.5500000000000003 0.8749999999999996 # H15 0.0300000000000001 0.6400000000000000 0.7700000000000001 # H16 0.4299999999999998 0.8949999999999994 0.8119999999999999 # H17 0.3460000000000002 1.0249999999999997 0.6640000000000001 # H18 0.9960000000000000 0.0850000000000004 0.7430000000000002 # H19 0.7279999999999998 0.2599999999999997 0.5000000000000000 # H20 0.6499999999999998 0.0500000000000002 0.8749999999999996 # H21 0.5300000000000002 0.1400000000000000 0.7700000000000001 # H22 0.9299999999999999 0.3950000000000004 0.8119999999999999 # H23 0.8460000000000001 0.5249999999999997 0.6640000000000001 # H24