$cell vectors 1.0 10.7049949628503391 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.7339949492046287 0.0000000000000000 0.0000000000000000 0.0000000000000053 31.6299851167637804 48 60 96 Direct 0.2570000000000003 0.0000000000000000 0.0000000000000000 # Cu1 0.2570000000000003 0.5000000000000000 0.0000000000000000 # Cu2 0.2500000000000003 -0.0000000000000002 0.4999999999999999 # Cu3 0.2480000000000001 0.4999999999999998 0.4999999999999999 # Cu4 0.9950000000000003 0.2490000000000002 0.1640000000000000 # Cu5 0.4890000000000002 0.2499999999999999 0.1630000000000000 # Cu6 0.0020000000000003 0.2490000000000001 0.3360000000000000 # Cu7 0.4979999999999999 0.2499999999999998 0.3360000000000000 # Cu8 0.2520000000000001 0.2450000000000000 0.0859999999999999 # Cu9 0.2460000000000004 0.7480000000000000 0.0859999999999999 # Cu10 0.2490000000000002 0.2509999999999999 0.4139999999999999 # Cu11 0.2510000000000000 0.7509999999999999 0.4150000000000000 # Cu12 0.0000000000000000 -0.0000000000000001 0.2500000000000001 # Cu13 0.5000000000000002 -0.0000000000000001 0.2500000000000001 # Cu14 0.0000000000000000 0.4999999999999999 0.2500000000000001 # Cu15 0.5000000000000002 0.4999999999999999 0.2500000000000001 # Cu16 0.7430000000000002 0.0000000000000000 0.0000000000000000 # Cu17 0.7430000000000002 0.5000000000000000 0.0000000000000000 # Cu18 0.7500000000000000 -0.0000000000000002 0.4999999999999999 # Cu19 0.7520000000000002 0.4999999999999998 0.4999999999999999 # Cu20 0.0050000000000002 0.7510000000000000 0.1640000000000000 # Cu21 0.5110000000000001 0.7499999999999998 0.1630000000000000 # Cu22 0.9980000000000001 0.7510000000000000 0.3360000000000000 # Cu23 0.5020000000000004 0.7500000000000002 0.3360000000000000 # Cu24 0.7479999999999997 0.7549999999999999 0.0859999999999999 # Cu25 0.7540000000000001 0.2519999999999998 0.0859999999999999 # Cu26 0.7510000000000002 0.7490000000000000 0.4139999999999999 # Cu27 0.7489999999999999 0.2490000000000001 0.4150000000000000 # Cu28 0.9950000000000003 0.7510000000000002 0.8360000000000000 # Cu29 0.4890000000000002 0.7499999999999999 0.8370000000000001 # Cu30 0.0020000000000003 0.7509999999999998 0.6640000000000000 # Cu31 0.4980000000000004 0.7500000000000000 0.6640000000000000 # Cu32 0.2520000000000001 0.7550000000000000 0.9140000000000000 # Cu33 0.2460000000000004 0.2519999999999999 0.9140000000000000 # Cu34 0.2490000000000002 0.7489999999999999 0.5860000000000000 # Cu35 0.2510000000000000 0.2490000000000000 0.5850000000000000 # Cu36 0.0000000000000000 -0.0000000000000004 0.7500000000000000 # Cu37 0.5000000000000002 -0.0000000000000004 0.7500000000000000 # Cu38 0.0000000000000000 0.5000000000000002 0.7500000000000000 # Cu39 0.5000000000000002 0.5000000000000002 0.7500000000000000 # Cu40 0.0050000000000002 0.2489999999999999 0.8360000000000000 # Cu41 0.5110000000000001 0.2500000000000001 0.8370000000000001 # Cu42 0.9980000000000008 0.2489999999999999 0.6640000000000000 # Cu43 0.5020000000000000 0.2499999999999996 0.6640000000000000 # Cu44 0.7480000000000002 0.2450000000000001 0.9140000000000000 # Cu45 0.7540000000000001 0.7480000000000002 0.9140000000000000 # Cu46 0.7510000000000002 0.2509999999999999 0.5860000000000000 # Cu47 0.7490000000000003 0.7509999999999998 0.5850000000000000 # Cu48 0.0000000000000000 0.2549999999999999 0.0000000000000000 # Fe1 0.5000000000000002 0.2590000000000002 0.0000000000000000 # Fe2 0.0000000000000000 0.2470000000000002 0.4999999999999999 # Fe3 0.5000000000000002 0.2520000000000002 0.4999999999999999 # Fe4 0.2510000000000000 0.9990000000000002 0.1650000000000000 # Fe5 0.2480000000000001 0.4880000000000002 0.1659999999999999 # Fe6 0.2510000000000000 0.9979999999999999 0.3350000000000000 # Fe7 0.2490000000000002 0.4990000000000001 0.3340000000000000 # Fe8 0.0000000000000000 0.0000000000000000 0.0859999999999999 # Fe9 0.5000000000000002 0.0000000000000000 0.0859999999999999 # Fe10 0.0000000000000000 0.4999999999999999 0.0859999999999999 # Fe11 0.5000000000000002 0.4999999999999999 0.0859999999999999 # Fe12 0.0000000000000000 -0.0000000000000002 0.4139999999999999 # Fe13 0.5000000000000002 -0.0000000000000002 0.4139999999999999 # Fe14 0.0000000000000000 0.4999999999999998 0.4139999999999999 # Fe15 0.5000000000000002 0.4999999999999998 0.4139999999999999 # Fe16 0.2510000000000000 0.2490000000000002 0.2500000000000001 # Fe17 0.2500000000000003 0.7499999999999998 0.2500000000000001 # Fe18 0.2510000000000000 0.9990000000000002 0.2500000000000001 # Fe19 0.2490000000000002 0.4999999999999999 0.2500000000000001 # Fe20 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Fe21 0.5000000000000002 0.5000000000000000 0.0000000000000000 # Fe22 0.5000000000000002 -0.0000000000000002 0.4999999999999999 # Fe23 0.0000000000000000 0.4999999999999998 0.4999999999999999 # Fe24 0.0000000000000000 0.7450000000000001 0.0000000000000000 # Fe25 0.5000000000000002 0.7410000000000003 0.0000000000000000 # Fe26 0.0000000000000000 0.7529999999999998 0.4999999999999999 # Fe27 0.5000000000000002 0.7479999999999998 0.4999999999999999 # Fe28 0.7489999999999999 0.0010000000000001 0.1650000000000000 # Fe29 0.7520000000000002 0.5120000000000001 0.1659999999999999 # Fe30 0.7489999999999999 0.0019999999999997 0.3350000000000000 # Fe31 0.7510000000000002 0.5010000000000000 0.3340000000000000 # Fe32 0.7489999999999999 0.7510000000000000 0.2500000000000001 # Fe33 0.7500000000000000 0.2499999999999999 0.2500000000000001 # Fe34 0.7489999999999999 0.0010000000000001 0.2500000000000001 # Fe35 0.7510000000000002 0.4999999999999999 0.2500000000000001 # Fe36 0.2510000000000000 0.0009999999999998 0.8349999999999999 # Fe37 0.2480000000000001 0.5119999999999998 0.8340000000000001 # Fe38 0.2510000000000000 0.0020000000000001 0.6650000000000000 # Fe39 0.2490000000000002 0.5009999999999998 0.6659999999999998 # Fe40 0.0000000000000000 0.0000000000000000 0.9140000000000000 # Fe41 0.5000000000000002 0.0000000000000000 0.9140000000000000 # Fe42 0.0000000000000000 0.5000000000000001 0.9140000000000000 # Fe43 0.5000000000000002 0.5000000000000001 0.9140000000000000 # Fe44 0.0000000000000000 -0.0000000000000003 0.5860000000000000 # Fe45 0.5000000000000002 -0.0000000000000003 0.5860000000000000 # Fe46 0.0000000000000000 0.4999999999999997 0.5860000000000000 # Fe47 0.5000000000000002 0.4999999999999997 0.5860000000000000 # Fe48 0.2510000000000000 0.7509999999999998 0.7500000000000000 # Fe49 0.2500000000000003 0.2500000000000001 0.7500000000000000 # Fe50 0.2510000000000000 0.0009999999999998 0.7500000000000000 # Fe51 0.2490000000000002 0.5000000000000002 0.7500000000000000 # Fe52 0.7490000000000003 0.9989999999999999 0.8349999999999999 # Fe53 0.7520000000000002 0.4879999999999998 0.8340000000000001 # Fe54 0.7490000000000003 0.9979999999999997 0.6650000000000000 # Fe55 0.7510000000000002 0.4989999999999999 0.6659999999999998 # Fe56 0.7490000000000003 0.2489999999999999 0.7500000000000000 # Fe57 0.7500000000000000 0.7500000000000000 0.7500000000000000 # Fe58 0.7490000000000003 0.9990000000000000 0.7500000000000000 # Fe59 0.7510000000000002 0.5000000000000002 0.7500000000000000 # Fe60 0.1190000000000001 0.1269999999999998 0.0420000000000001 # S1 0.3799999999999999 0.8700000000000000 0.0420000000000001 # S2 0.1230000000000002 0.6280000000000001 0.0420000000000001 # S3 0.3789999999999998 0.3730000000000001 0.0420000000000001 # S4 0.1240000000000003 0.8690000000000000 0.4580000000000001 # S5 0.3750000000000003 0.1320000000000001 0.4580000000000001 # S6 0.1260000000000000 0.3690000000000001 0.4580000000000001 # S7 0.3759999999999999 0.6300000000000002 0.4580000000000001 # S8 0.1280000000000003 0.8760000000000000 0.1250000000000000 # S9 0.3710000000000003 0.1240000000000003 0.1250000000000000 # S10 0.1289999999999999 0.3760000000000002 0.1250000000000000 # S11 0.3730000000000000 0.6230000000000000 0.1250000000000000 # S12 0.1280000000000003 0.1219999999999997 0.3750000000000001 # S13 0.3740000000000001 0.8740000000000000 0.3750000000000001 # S14 0.1280000000000003 0.6240000000000001 0.3750000000000001 # S15 0.3720000000000004 0.3770000000000002 0.3750000000000001 # S16 0.1260000000000000 0.1219999999999998 0.2080000000000000 # S17 0.3780000000000001 0.8760000000000000 0.2080000000000000 # S18 0.1230000000000002 0.6230000000000000 0.2080000000000000 # S19 0.3730000000000000 0.3799999999999998 0.2080000000000000 # S20 0.1260000000000000 0.8750000000000002 0.2920000000000000 # S21 0.3759999999999999 0.1240000000000002 0.2920000000000000 # S22 0.1260000000000000 0.3770000000000002 0.2920000000000000 # S23 0.3740000000000001 0.6249999999999999 0.2920000000000000 # S24 0.8810000000000002 0.8730000000000001 0.0420000000000001 # S25 0.6199999999999999 0.1299999999999999 0.0420000000000001 # S26 0.8770000000000002 0.3719999999999999 0.0420000000000001 # S27 0.6210000000000001 0.6269999999999999 0.0420000000000001 # S28 0.8760000000000002 0.1309999999999999 0.4580000000000001 # S29 0.6250000000000001 0.8679999999999999 0.4580000000000001 # S30 0.8739999999999997 0.6310000000000000 0.4580000000000001 # S31 0.6240000000000000 0.3700000000000003 0.4580000000000001 # S32 0.8720000000000000 0.1240000000000003 0.1250000000000000 # S33 0.6290000000000002 0.8760000000000000 0.1250000000000000 # S34 0.8710000000000000 0.6240000000000002 0.1250000000000000 # S35 0.6269999999999999 0.3769999999999998 0.1250000000000000 # S36 0.8720000000000000 0.8779999999999997 0.3750000000000001 # S37 0.6260000000000002 0.1260000000000000 0.3750000000000001 # S38 0.8720000000000000 0.3760000000000001 0.3750000000000001 # S39 0.6279999999999999 0.6229999999999999 0.3750000000000001 # S40 0.8739999999999997 0.8779999999999998 0.2080000000000000 # S41 0.6220000000000002 0.1240000000000002 0.2080000000000000 # S42 0.8770000000000002 0.3770000000000002 0.2080000000000000 # S43 0.6269999999999999 0.6199999999999999 0.2080000000000000 # S44 0.8739999999999997 0.1249999999999999 0.2920000000000000 # S45 0.6240000000000000 0.8760000000000000 0.2920000000000000 # S46 0.8739999999999997 0.6230000000000000 0.2920000000000000 # S47 0.6260000000000002 0.3749999999999998 0.2920000000000000 # S48 0.1190000000000001 0.8730000000000000 0.9579999999999999 # S49 0.3800000000000004 0.1300000000000000 0.9579999999999999 # S50 0.1230000000000002 0.3719999999999998 0.9579999999999999 # S51 0.3790000000000003 0.6270000000000000 0.9579999999999999 # S52 0.1240000000000003 0.1309999999999998 0.5420000000000000 # S53 0.3750000000000003 0.8679999999999999 0.5420000000000000 # S54 0.1260000000000000 0.6310000000000000 0.5420000000000000 # S55 0.3759999999999999 0.3699999999999997 0.5420000000000000 # S56 0.1280000000000003 0.1239999999999999 0.8749999999999999 # S57 0.3710000000000003 0.8759999999999997 0.8749999999999999 # S58 0.1290000000000004 0.6239999999999999 0.8749999999999999 # S59 0.3730000000000000 0.3769999999999999 0.8749999999999999 # S60 0.1280000000000003 0.8779999999999996 0.6250000000000000 # S61 0.3740000000000001 0.1259999999999999 0.6250000000000000 # S62 0.1280000000000003 0.3759999999999999 0.6250000000000000 # S63 0.3720000000000004 0.6229999999999998 0.6250000000000000 # S64 0.1260000000000000 0.8779999999999999 0.7919999999999998 # S65 0.3780000000000001 0.1239999999999999 0.7919999999999998 # S66 0.1230000000000002 0.3769999999999999 0.7919999999999998 # S67 0.3730000000000000 0.6200000000000000 0.7919999999999998 # S68 0.1260000000000000 0.1250000000000001 0.7079999999999996 # S69 0.3760000000000004 0.8759999999999998 0.7079999999999996 # S70 0.1260000000000000 0.6229999999999998 0.7079999999999996 # S71 0.3740000000000001 0.3750000000000001 0.7079999999999996 # S72 0.8810000000000002 0.1269999999999999 0.9579999999999999 # S73 0.6200000000000004 0.8700000000000001 0.9579999999999999 # S74 0.8770000000000002 0.6280000000000001 0.9579999999999999 # S75 0.6210000000000001 0.3730000000000001 0.9579999999999999 # S76 0.8760000000000002 0.8690000000000000 0.5420000000000000 # S77 0.6250000000000001 0.1320000000000001 0.5420000000000000 # S78 0.8740000000000002 0.3690000000000001 0.5420000000000000 # S79 0.6240000000000000 0.6300000000000002 0.5420000000000000 # S80 0.8720000000000000 0.8759999999999997 0.8749999999999999 # S81 0.6290000000000002 0.1239999999999999 0.8749999999999999 # S82 0.8710000000000000 0.3759999999999998 0.8749999999999999 # S83 0.6270000000000003 0.6229999999999997 0.8749999999999999 # S84 0.8720000000000000 0.1220000000000001 0.6250000000000000 # S85 0.6260000000000002 0.8739999999999999 0.6250000000000000 # S86 0.8720000000000000 0.6240000000000000 0.6250000000000000 # S87 0.6279999999999999 0.3770000000000000 0.6250000000000000 # S88 0.8740000000000002 0.1220000000000000 0.7919999999999998 # S89 0.6220000000000002 0.8759999999999997 0.7919999999999998 # S90 0.8770000000000002 0.6229999999999997 0.7919999999999998 # S91 0.6270000000000003 0.3800000000000000 0.7919999999999998 # S92 0.8740000000000002 0.8750000000000000 0.7079999999999996 # S93 0.6240000000000000 0.1240000000000000 0.7079999999999996 # S94 0.8740000000000002 0.3770000000000000 0.7079999999999996 # S95 0.6260000000000002 0.6250000000000002 0.7079999999999996 # S96