$cell vectors 1.0 9.9619953124628751 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.9619953124628751 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.4139936881526847 24 32 48 80 Direct 0.4371000000000003 0.4371000000000003 0.2500000000000000 # Na1 0.4493000000000001 0.5506999999999999 0.7499999999999999 # Na2 0.4618000000000002 0.4511999999999998 0.4980999999999999 # Na3 0.0628999999999999 -0.0628999999999999 -0.2500000000000000 # Na4 -0.0507000000000001 -0.0507000000000001 0.2500000000000000 # Na5 0.0487999999999998 -0.0382000000000001 -0.0019000000000002 # Na6 0.5629000000000002 0.5629000000000002 0.2500000000000000 # Na7 0.5507000000000003 0.4493000000000001 0.7499999999999999 # Na8 0.5382000000000003 0.5488000000000001 0.4980999999999999 # Na9 -0.0628999999999999 0.0628999999999999 -0.2500000000000000 # Na10 0.0507000000000001 0.0507000000000001 0.2500000000000000 # Na11 -0.0487999999999998 0.0382000000000001 -0.0019000000000002 # Na12 -0.0628999999999999 0.0628999999999999 0.2500000000000000 # Na13 -0.0507000000000001 -0.0507000000000001 -0.2500000000000000 # Na14 -0.0382000000000001 0.0487999999999998 0.0019000000000002 # Na15 0.0628999999999999 -0.0628999999999999 0.2500000000000000 # Na16 0.0507000000000001 0.0507000000000001 -0.2500000000000000 # Na17 0.0382000000000001 -0.0487999999999998 0.0019000000000002 # Na18 0.4371000000000003 0.4371000000000003 0.7499999999999999 # Na19 0.5506999999999999 0.4493000000000001 0.2500000000000000 # Na20 0.4511999999999998 0.4618000000000002 0.5018999999999998 # Na21 0.5629000000000002 0.5628999999999997 0.7499999999999999 # Na22 0.4493000000000001 0.5506999999999999 0.2500000000000000 # Na23 0.5488000000000001 0.5382000000000003 0.5018999999999998 # Na24 0.3619000000000001 0.5522000000000001 0.1515000000000001 # O1 0.3506000000000003 0.5450000000000000 0.1049999999999997 # O2 0.6525000000000002 0.5191000000000000 0.6529999999999998 # O3 0.6282000000000004 0.5558000000000000 0.6024999999999999 # O4 -0.0521999999999999 -0.1381000000000001 -0.3485000000000000 # O5 -0.0450000000000002 -0.1494000000000000 -0.3949999999999999 # O6 -0.0190999999999998 0.1524999999999999 0.1530000000000002 # O7 -0.0557999999999997 0.1282000000000001 0.1024999999999999 # O8 0.6381000000000004 0.4477999999999999 0.1515000000000001 # O9 0.6494000000000002 0.4550000000000000 0.1049999999999997 # O10 0.3475000000000004 0.4809000000000005 0.6529999999999998 # O11 0.3718000000000001 0.4442000000000000 0.6024999999999999 # O12 0.0521999999999999 0.1381000000000001 -0.3485000000000000 # O13 0.0449999999999997 0.1494000000000000 -0.3949999999999999 # O14 0.0190999999999998 -0.1524999999999999 0.1530000000000002 # O15 0.0558000000000002 -0.1282000000000001 0.1024999999999999 # O16 -0.1381000000000001 -0.0521999999999999 0.3485000000000000 # O17 -0.1494000000000000 -0.0450000000000002 0.3949999999999999 # O18 0.1524999999999999 -0.0190999999999998 -0.1530000000000002 # O19 0.1282000000000001 -0.0558000000000002 -0.1024999999999999 # O20 0.1381000000000001 0.0521999999999999 0.3485000000000000 # O21 0.1494000000000000 0.0450000000000002 0.3949999999999999 # O22 -0.1524999999999999 0.0190999999999998 -0.1530000000000002 # O23 -0.1282000000000001 0.0558000000000002 -0.1024999999999999 # O24 0.5522000000000001 0.3619000000000001 0.8484999999999999 # O25 0.5450000000000005 0.3506000000000003 0.8949999999999998 # O26 0.5191000000000000 0.6525000000000002 0.3469999999999998 # O27 0.5558000000000000 0.6282000000000004 0.3975000000000001 # O28 0.4477999999999999 0.6381000000000004 0.8484999999999999 # O29 0.4550000000000000 0.6494000000000002 0.8949999999999998 # O30 0.4808999999999999 0.3475000000000004 0.3469999999999998 # O31 0.4442000000000000 0.3718000000000001 0.3975000000000001 # O32 0.4378999999999999 0.0636000000000001 0.0113999999999999 # B1 0.4389000000000003 0.0645000000000001 0.2268999999999999 # B2 0.3352000000000002 0.0412000000000002 0.1187999999999998 # B3 0.6034000000000002 0.1012999999999998 0.0523000000000000 # B4 0.6024000000000004 0.1006000000000002 0.1853000000000000 # B5 0.4623999999999999 0.1652000000000001 0.1189999999999999 # B6 0.4364000000000002 -0.0620999999999999 0.5113999999999999 # B7 0.4355000000000001 -0.0611000000000000 0.7269000000000000 # B8 0.4588000000000001 -0.1648000000000001 0.6187999999999998 # B9 0.3986999999999999 0.1034000000000004 0.5523000000000000 # B10 0.3994000000000001 0.1024000000000001 0.6853000000000000 # B11 0.3348000000000001 -0.0375999999999998 0.6189999999999999 # B12 0.5621000000000002 -0.0636000000000001 0.0113999999999999 # B13 0.5610999999999997 -0.0645000000000001 0.2268999999999999 # B14 0.6648000000000003 -0.0412000000000002 0.1187999999999998 # B15 0.3965999999999998 -0.1012999999999998 0.0523000000000000 # B16 0.3976000000000002 -0.1006000000000002 0.1853000000000000 # B17 0.5376000000000001 -0.1652000000000001 0.1189999999999999 # B18 0.5635999999999999 0.0621000000000004 0.5113999999999999 # B19 0.5645000000000003 0.0611000000000000 0.7269000000000000 # B20 0.5412000000000000 0.1648000000000001 0.6187999999999998 # B21 0.6013000000000002 -0.1033999999999999 0.5523000000000000 # B22 0.6006000000000004 -0.1024000000000001 0.6853000000000000 # B23 0.6652000000000003 0.0376000000000003 0.6189999999999999 # B24 -0.0620999999999999 0.4364000000000002 0.4885999999999998 # B25 -0.0611000000000000 0.4355000000000001 0.2731000000000002 # B26 -0.1648000000000001 0.4588000000000001 0.3811999999999998 # B27 0.1034000000000004 0.3987000000000004 0.4476999999999999 # B28 0.1024000000000001 0.3994000000000001 0.3147000000000000 # B29 -0.0375999999999998 0.3348000000000001 0.3810000000000002 # B30 0.0621000000000004 0.5636000000000004 0.4885999999999998 # B31 0.0611000000000000 0.5644999999999999 0.2731000000000002 # B32 0.1648000000000001 0.5412000000000000 0.3811999999999998 # B33 -0.1033999999999999 0.6013000000000002 0.4476999999999999 # B34 -0.1024000000000001 0.6006000000000004 0.3147000000000000 # B35 0.0376000000000003 0.6652000000000003 0.3810000000000002 # B36 0.0636000000000001 0.4379000000000004 0.9886000000000003 # B37 0.0645000000000001 0.4389000000000003 0.7730999999999997 # B38 0.0412000000000002 0.3352000000000002 0.8812000000000003 # B39 0.1013000000000004 0.6034000000000002 0.9477000000000000 # B40 0.1006000000000002 0.6024000000000004 0.8146999999999996 # B41 0.1652000000000001 0.4624000000000004 0.8809999999999998 # B42 -0.0636000000000001 0.5621000000000002 0.9886000000000003 # B43 -0.0645000000000001 0.5611000000000004 0.7730999999999997 # B44 -0.0412000000000002 0.6648000000000003 0.8812000000000003 # B45 -0.1012999999999998 0.3966000000000003 0.9477000000000000 # B46 -0.1006000000000002 0.3976000000000002 0.8146999999999996 # B47 -0.1652000000000001 0.5376000000000001 0.8809999999999998 # B48 0.3999999999999998 0.1050000000000000 -0.0520000000000000 # H1 0.3960000000000000 0.1070000000000002 0.2940000000000000 # H2 0.2169999999999999 0.0689999999999999 0.1180000000000002 # H3 0.6800000000000002 0.1630000000000002 0.0069999999999999 # H4 0.6640000000000003 0.1750000000000002 0.2300000000000001 # H5 0.4279999999999998 0.2729999999999999 0.1220000000000001 # H6 0.6240000000000002 0.3319999999999999 0.3819999999999999 # H7 0.5119999999999997 0.2729999999999999 0.3670000000000001 # H8 0.3430000000000001 0.3720000000000004 0.8760000000000000 # H9 0.4640000000000000 0.2790000000000000 0.8979999999999998 # H10 0.3950000000000002 -0.0999999999999998 0.4480000000000000 # H11 0.3930000000000000 -0.1039999999999997 0.7940000000000000 # H12 0.4310000000000004 -0.2829999999999998 0.6179999999999998 # H13 0.3370000000000001 0.1800000000000005 0.5069999999999999 # H14 0.3250000000000000 0.1640000000000005 0.7300000000000001 # H15 0.2269999999999998 -0.0719999999999999 0.6220000000000001 # H16 0.1679999999999998 0.1240000000000005 0.8819999999999999 # H17 0.2269999999999998 0.0120000000000001 -0.1330000000000000 # H18 0.1280000000000004 0.8430000000000003 0.3760000000000002 # H19 0.2210000000000003 -0.0360000000000002 0.3980000000000002 # H20 0.6000000000000001 -0.1050000000000000 -0.0520000000000000 # H21 0.6040000000000000 -0.1070000000000002 0.2940000000000000 # H22 0.7830000000000000 -0.0689999999999999 0.1180000000000002 # H23 0.3199999999999998 -0.1630000000000002 0.0069999999999999 # H24 0.3360000000000002 -0.1750000000000002 0.2300000000000001 # H25 0.5720000000000002 -0.2729999999999999 0.1220000000000001 # H26 0.3760000000000003 0.6680000000000001 0.3819999999999999 # H27 0.4880000000000002 0.7270000000000001 0.3670000000000001 # H28 0.6570000000000005 0.6280000000000001 0.8760000000000000 # H29 0.5359999999999998 0.7210000000000001 0.8979999999999998 # H30 0.6050000000000003 0.1000000000000004 0.4480000000000000 # H31 0.6070000000000000 0.1040000000000002 0.7940000000000000 # H32 0.5690000000000001 0.2830000000000003 0.6179999999999998 # H33 0.6629999999999999 -0.1799999999999999 0.5069999999999999 # H34 0.6750000000000005 -0.1640000000000000 0.7300000000000001 # H35 0.7730000000000001 0.0720000000000004 0.6220000000000001 # H36 0.8320000000000001 0.8760000000000006 0.8819999999999999 # H37 -0.2269999999999998 -0.0120000000000001 -0.1330000000000000 # H38 0.8720000000000003 0.1570000000000001 0.3760000000000002 # H39 -0.2209999999999998 0.0359999999999997 0.3980000000000002 # H40 -0.0999999999999998 0.3950000000000002 0.5520000000000000 # H41 -0.1040000000000002 0.3930000000000000 0.2059999999999999 # H42 -0.2829999999999998 0.4310000000000004 0.3819999999999999 # H43 0.1800000000000005 0.3370000000000001 0.4929999999999997 # H44 0.1640000000000000 0.3250000000000000 0.2699999999999999 # H45 -0.0719999999999999 0.2269999999999998 0.3779999999999999 # H46 0.1240000000000000 0.1679999999999998 0.1180000000000002 # H47 0.0120000000000001 0.2269999999999998 0.1330000000000000 # H48 0.8430000000000003 0.1280000000000004 0.6240000000000000 # H49 -0.0360000000000002 0.2210000000000003 -0.3980000000000002 # H50 0.1000000000000004 0.6050000000000003 0.5520000000000000 # H51 0.1040000000000002 0.6070000000000000 0.2059999999999999 # H52 0.2830000000000003 0.5690000000000001 0.3819999999999999 # H53 -0.1799999999999999 0.6630000000000005 0.4929999999999997 # H54 -0.1640000000000000 0.6750000000000000 0.2699999999999999 # H55 0.0720000000000004 0.7730000000000001 0.3779999999999999 # H56 0.8760000000000000 0.8320000000000001 0.1180000000000002 # H57 -0.0120000000000001 -0.2269999999999998 0.1330000000000000 # H58 0.1570000000000001 0.8720000000000003 0.6240000000000000 # H59 0.0360000000000002 -0.2210000000000003 -0.3980000000000002 # H60 0.1050000000000000 0.4000000000000004 1.0520000000000003 # H61 0.1070000000000002 0.3960000000000000 0.7059999999999997 # H62 0.0690000000000004 0.2169999999999999 0.8819999999999999 # H63 0.1630000000000002 0.6800000000000002 0.9929999999999997 # H64 0.1750000000000002 0.6640000000000003 0.7699999999999999 # H65 0.2730000000000004 0.4280000000000004 0.8779999999999998 # H66 0.3320000000000004 0.6240000000000002 0.6179999999999998 # H67 0.2730000000000004 0.5120000000000002 0.6330000000000000 # H68 0.3719999999999999 0.3430000000000001 0.1239999999999999 # H69 0.2790000000000000 0.4640000000000000 0.1019999999999999 # H70 -0.1050000000000000 0.6000000000000001 1.0520000000000003 # H71 -0.1069999999999997 0.6040000000000000 0.7059999999999997 # H72 -0.0689999999999999 0.7830000000000007 0.8819999999999999 # H73 -0.1629999999999997 0.3200000000000003 0.9929999999999997 # H74 -0.1749999999999997 0.3360000000000002 0.7699999999999999 # H75 -0.2729999999999999 0.5720000000000002 0.8779999999999998 # H76 0.6680000000000001 0.3760000000000003 0.6179999999999998 # H77 0.7270000000000001 0.4880000000000002 0.6330000000000000 # H78 0.6280000000000001 0.6570000000000005 0.1239999999999999 # H79 0.7210000000000001 0.5359999999999998 0.1019999999999999 # H80