$cell vectors
1.0
 11.1819947384019152    0.0000000000000000    0.0000000000000000
  0.0000000000000000   22.8729892372980714    0.0000000000000000
  0.0000000000000000    0.0000000000000000   10.5729950249618572
 8 136 32 80
Direct
  0.0000000000000000    0.0000000000000000    1.0000000000000000 # Th1
  0.0000000000000000    0.5000000000000001    0.5000000000000000 # Th2
  0.5000000000000000    1.0000000000000000    0.5000000000000000 # Th3
  0.5000000000000000    0.5000000000000001    1.0000000000000000 # Th4
  0.2500000000000000    0.2500000000000001    0.2499999999999999 # Th5
  0.2500000000000000    0.7499999999999997    0.7499999999999999 # Th6
  0.7500000000000001    0.2500000000000001    0.7499999999999999 # Th7
  0.7500000000000001    0.7499999999999997    0.2499999999999999 # Th8
  0.0000000000000000    0.0000000000000000    1.2276999999999998 # O1
  0.2457999999999998    0.1459000000000001    0.3156000000000000 # O2
  0.0456999999999999    0.0892000000000000    0.3934000000000001 # O3
  0.2094000000000002   -0.0380000000000001    1.0024999999999999 # O4
  0.1970000000000002    0.0452999999999998    1.0914999999999999 # O5
  0.3733000000000001    0.0093000000000002    1.0538000000000001 # O6
  0.1318000000000001    0.0551000000000000    0.8381000000000000 # O7
 -0.0569999999999999    0.0631000000000001    0.8076000000000000 # O8
  0.0677000000000000    0.1066000000000001    0.6786999999999997 # O9
  0.0000000000000000    0.5000000000000001    0.7277000000000001 # O10
  0.2458000000000003    0.6459000000000000    0.8155999999999998 # O11
  0.0456999999999999    0.5892000000000001    0.8933999999999994 # O12
  0.2094000000000002    0.4619999999999999    0.5024999999999998 # O13
  0.1970000000000002    0.5452999999999999    0.5914999999999998 # O14
  0.3733000000000001    0.5093000000000000    0.5537999999999998 # O15
  0.1318000000000001    0.5551000000000000    0.3380999999999999 # O16
 -0.0569999999999999    0.5630999999999999    0.3076000000000000 # O17
  0.0677000000000000    0.6065999999999999    0.1787000000000003 # O18
  0.5000000000000006    1.0000000000000000    0.7277000000000001 # O19
  0.7458000000000002    0.1459000000000001    0.8155999999999998 # O20
  0.5457000000000001    0.0892000000000000    0.8933999999999994 # O21
  0.7094000000000004    0.9619999999999999    0.5024999999999998 # O22
  0.6970000000000003    1.0453000000000001    0.5914999999999998 # O23
  0.8733000000000001    1.0093000000000003    0.5537999999999998 # O24
  0.6318000000000001    1.0550999999999999    0.3380999999999999 # O25
  0.4430000000000001    1.0630999999999999    0.3076000000000000 # O26
  0.5677000000000000    1.1066000000000000    0.1787000000000003 # O27
  0.5000000000000000    0.5000000000000001    1.2276999999999998 # O28
  0.7458000000000002    0.6459000000000000    0.3156000000000000 # O29
  0.5457000000000001    0.5892000000000001    0.3934000000000001 # O30
  0.7094000000000004    0.4619999999999999    1.0024999999999999 # O31
  0.6970000000000003    0.5453000000000002    1.0914999999999999 # O32
  0.8733000000000001    0.5093000000000000    1.0538000000000001 # O33
  0.6318000000000001    0.5551000000000000    0.8381000000000000 # O34
  0.4430000000000001    0.5631000000000002    0.8076000000000000 # O35
  0.5677000000000000    0.6065999999999999    0.6786999999999997 # O36
  0.7542000000000003    0.8541000000000000    0.3156000000000000 # O37
  0.9543000000000001    0.9108000000000001    0.3934000000000001 # O38
 -0.2094000000000002    0.0380000000000001    1.0024999999999999 # O39
 -0.1970000000000002   -0.0452999999999998    1.0914999999999999 # O40
 -0.3733000000000001   -0.0093000000000000    1.0538000000000001 # O41
 -0.1318000000000001   -0.0551000000000000    0.8381000000000000 # O42
  0.0569999999999999   -0.0631000000000001    0.8076000000000000 # O43
 -0.0677000000000000   -0.1065999999999999    0.6786999999999997 # O44
  0.7542000000000003    0.3541000000000000    0.8155999999999994 # O45
  0.9543000000000001    0.4108000000000001    0.8933999999999994 # O46
 -0.2093999999999998    0.5380000000000000    0.5024999999999998 # O47
 -0.1969999999999998    0.4546999999999999    0.5914999999999998 # O48
 -0.3733000000000001    0.4907000000000000    0.5537999999999998 # O49
 -0.1318000000000001    0.4449000000000001    0.3380999999999999 # O50
  0.0569999999999999    0.4368999999999999    0.3076000000000000 # O51
 -0.0677000000000000    0.3934000000000000    0.1787000000000003 # O52
  0.2542000000000002    0.8541000000000000    0.8155999999999994 # O53
  0.4543000000000000    0.9108000000000001    0.8933999999999994 # O54
  0.2906000000000003    1.0379999999999998    0.5024999999999998 # O55
  0.3030000000000003    0.9547000000000000    0.5914999999999998 # O56
  0.1267000000000004    0.9907000000000001    0.5537999999999998 # O57
  0.3682000000000000    0.9449000000000002    0.3380999999999999 # O58
  0.5570000000000005    0.9369000000000001    0.3076000000000000 # O59
  0.4323000000000001    0.8934000000000001    0.1787000000000003 # O60
  0.2542000000000002    0.3541000000000000    0.3156000000000000 # O61
  0.4543000000000000    0.4108000000000001    0.3934000000000001 # O62
  0.2906000000000003    0.5380000000000000    1.0024999999999999 # O63
  0.3030000000000003    0.4546999999999999    1.0914999999999999 # O64
  0.1266999999999999    0.4907000000000000    1.0538000000000001 # O65
  0.3682000000000000    0.4449000000000001    0.8381000000000000 # O66
  0.5570000000000005    0.4368999999999999    0.8076000000000000 # O67
  0.4323000000000001    0.3934000000000000    0.6786999999999997 # O68
  0.2500000000000000    0.2500000000000001    0.4777000000000001 # O69
  0.0042000000000002    0.3959000000000000    0.5655999999999999 # O70
  0.2043000000000001    0.3392000000000000    0.6434000000000000 # O71
  0.0406000000000003    0.2120000000000000    0.2524999999999998 # O72
  0.0530000000000003    0.2953000000000001    0.3414999999999998 # O73
 -0.1233000000000001    0.2593000000000000    0.3038000000000000 # O74
  0.1181999999999999    0.3051000000000000    0.0880999999999999 # O75
  0.3069999999999999    0.3131000000000002    0.0576000000000000 # O76
  0.1823000000000000    0.3566000000000001   -0.0713000000000002 # O77
  0.2500000000000000    0.7499999999999997    0.9777000000000001 # O78
  0.0042000000000002   -0.1041000000000000    1.0655999999999992 # O79
  0.2043000000000001    0.8392000000000002    0.1434000000000001 # O80
  0.0406000000000003    0.7120000000000001    0.7524999999999998 # O81
  0.0530000000000003    0.7953000000000002    0.8414999999999997 # O82
 -0.1233000000000001    0.7593000000000001    0.8038000000000001 # O83
  0.1181999999999999    0.8051000000000000    0.5880999999999998 # O84
  0.3070000000000003    0.8130999999999999    0.5575999999999999 # O85
  0.1823000000000000    0.8565999999999998    0.4286999999999997 # O86
  0.7500000000000001    0.2500000000000001    0.9777000000000001 # O87
  0.5042000000000002    0.3959000000000000    1.0655999999999992 # O88
  0.7043000000000001    0.3392000000000000    0.1434000000000001 # O89
  0.5406000000000003    0.2120000000000000    0.7524999999999998 # O90
  0.5530000000000003    0.2953000000000001    0.8414999999999997 # O91
  0.3767000000000004    0.2593000000000000    0.8038000000000001 # O92
  0.6182000000000000    0.3051000000000000    0.5880999999999998 # O93
  0.8069999999999998    0.3131000000000002    0.5575999999999999 # O94
  0.6823000000000000    0.3566000000000001    0.4286999999999997 # O95
  0.7500000000000001    0.7499999999999997    0.4777000000000001 # O96
  0.5042000000000002    0.8959000000000003    0.5655999999999999 # O97
  0.7043000000000001    0.8392000000000002    0.6434000000000000 # O98
  0.5406000000000003    0.7120000000000001    0.2524999999999998 # O99
  0.5530000000000003    0.7953000000000002    0.3414999999999998 # O100
  0.3767000000000004    0.7593000000000001    0.3038000000000000 # O101
  0.6182000000000000    0.8051000000000000    0.0880999999999999 # O102
  0.8070000000000003    0.8130999999999999    0.0576000000000000 # O103
  0.6823000000000000    0.8565999999999998   -0.0713000000000002 # O104
  0.4958000000000002    1.1041000000000001    0.5655999999999999 # O105
  0.2957000000000000    0.1608000000000001    0.6434000000000000 # O106
  0.4594000000000003    0.2879999999999999    0.2524999999999998 # O107
  0.4470000000000002    0.2046999999999999    0.3414999999999998 # O108
  0.6233000000000002    0.2407000000000001    0.3038000000000000 # O109
  0.3818000000000001    0.1949000000000000    0.0880999999999999 # O110
  0.1930000000000002    0.1869000000000000    0.0576000000000000 # O111
  0.3177000000000000    0.1433999999999999   -0.0713000000000002 # O112
  0.4958000000000002    0.6041000000000001    1.0655999999999992 # O113
  0.2957000000000000    0.6607999999999998    0.1434000000000001 # O114
  0.4594000000000003    0.7879999999999999    0.7524999999999998 # O115
  0.4470000000000002    0.7047000000000001    0.8414999999999997 # O116
  0.6233000000000002    0.7407000000000002    0.8038000000000001 # O117
  0.3818000000000001    0.6949000000000001    0.5880999999999998 # O118
  0.1930000000000002    0.6869000000000003    0.5575999999999999 # O119
  0.3177000000000000    0.6434000000000001    0.4286999999999997 # O120
 -0.0041999999999997    0.1041000000000002    1.0655999999999992 # O121
  0.7956999999999999    0.1608000000000001    0.1434000000000001 # O122
  0.9594000000000004    0.2880000000000001    0.7524999999999998 # O123
  0.9470000000000002    0.2046999999999999    0.8414999999999997 # O124
  1.1233000000000004    0.2407000000000001    0.8038000000000001 # O125
  0.8818000000000003    0.1949000000000000    0.5880999999999998 # O126
  0.6930000000000002    0.1869000000000001    0.5575999999999999 # O127
  0.8176999999999999    0.1433999999999999    0.4286999999999997 # O128
 -0.0041999999999997    0.6041000000000001    0.5655999999999999 # O129
  0.7956999999999999    0.6607999999999998    0.6434000000000000 # O130
  0.9594000000000004    0.7879999999999999    0.2524999999999998 # O131
  0.9470000000000002    0.7047000000000001    0.3414999999999998 # O132
  1.1233000000000004    0.7407000000000002    0.3038000000000000 # O133
  0.8818000000000003    0.6949000000000001    0.0880999999999999 # O134
  0.6930000000000002    0.6869000000000003    0.0576000000000000 # O135
  0.8177000000000004    0.6434000000000001   -0.0713000000000002 # O136
  0.2650999999999999    0.0045999999999999    1.0507999999999997 # N1
  0.0471000000000002    0.0771999999999999    0.7740999999999998 # N2
  0.2651000000000004    0.5046000000000000    0.5507999999999997 # N3
  0.0471000000000002    0.5772000000000000    0.2740999999999998 # N4
  0.7651000000000003    1.0045999999999999    0.5507999999999997 # N5
  0.5471000000000003    1.0771999999999997    0.2740999999999998 # N6
  0.7650999999999998    0.5046000000000003    1.0507999999999997 # N7
  0.5471000000000003    0.5772000000000000    0.7740999999999998 # N8
 -0.2650999999999999   -0.0045999999999999    1.0507999999999997 # N9
 -0.0471000000000002   -0.0771999999999999    0.7740999999999998 # N10
 -0.2650999999999999    0.4954000000000001    0.5507999999999997 # N11
 -0.0470999999999997    0.4227999999999999    0.2740999999999998 # N12
  0.2349000000000001    0.9954000000000001    0.5507999999999997 # N13
  0.4529000000000004    0.9228000000000001    0.2740999999999998 # N14
  0.2349000000000001    0.4954000000000001    1.0507999999999997 # N15
  0.4529000000000004    0.4228000000000002    0.7740999999999998 # N16
 -0.0150999999999999    0.2545999999999999    0.3007999999999997 # N17
  0.2028999999999999    0.3271999999999999    0.0240999999999998 # N18
 -0.0150999999999999    0.7545999999999999    0.8007999999999997 # N19
  0.2029000000000004    0.8272000000000002    0.5240999999999998 # N20
  0.4849000000000002    0.2545999999999999    0.8007999999999997 # N21
  0.7029000000000003    0.3271999999999999    0.5240999999999998 # N22
  0.4849000000000002    0.7545999999999999    0.3007999999999997 # N23
  0.7029000000000003    0.8272000000000002    0.0240999999999998 # N24
  0.5151000000000000    0.2454000000000001    0.3007999999999997 # N25
  0.2971000000000002    0.1728000000000001    0.0240999999999998 # N26
  0.5151000000000003    0.7454000000000002    0.8007999999999997 # N27
  0.2971000000000002    0.6728000000000002    0.5240999999999998 # N28
  1.0151000000000001    0.2454000000000001    0.8007999999999997 # N29
  0.7971000000000001    0.1728000000000001    0.5240999999999998 # N30
  1.0151000000000001    0.7454000000000002    0.3007999999999997 # N31
  0.7971000000000001    0.6728000000000002    0.0240999999999998 # N32
  0.0500000000000002    0.0400000000000000    1.2499999999999993 # H1
  0.1700000000000001    0.1400000000000000    0.3400000000000001 # H2
  0.3099999999999999    0.1299999999999999    0.3100000000000001 # H3
  0.9499999999999998    0.1100000000000000    0.4099999999999998 # H4
  0.0999999999999999    0.0700000000000000    0.4899999999999999 # H5
  0.0500000000000002    0.5400000000000001    0.7499999999999999 # H6
  0.1700000000000001    0.6400000000000001    0.8400000000000001 # H7
  0.3099999999999999    0.6300000000000000    0.8100000000000001 # H8
  0.9499999999999998    0.6100000000000001    0.9099999999999997 # H9
  0.1000000000000004    0.5700000000000003    0.9900000000000000 # H10
  0.5500000000000003    1.0400000000000000    0.7499999999999999 # H11
  0.6700000000000002    0.1400000000000000    0.8400000000000001 # H12
  0.8100000000000002    0.1300000000000002    0.8100000000000001 # H13
  0.4500000000000003    0.1100000000000000    0.9099999999999997 # H14
  0.6000000000000000    0.0700000000000000    0.9900000000000000 # H15
  0.5500000000000003    0.5400000000000001    1.2499999999999993 # H16
  0.6700000000000002    0.6400000000000001    0.3400000000000001 # H17
  0.8100000000000002    0.6300000000000000    0.3100000000000001 # H18
  0.4500000000000003    0.6100000000000001    0.4099999999999998 # H19
  0.6000000000000000    0.5700000000000001    0.4899999999999999 # H20
 -0.0500000000000002   -0.0400000000000000    1.2499999999999993 # H21
  0.8300000000000001    0.8599999999999998    0.3400000000000001 # H22
  0.6900000000000001    0.8699999999999999    0.3100000000000001 # H23
  0.0500000000000002    0.8899999999999999    0.4099999999999998 # H24
  0.9000000000000001    0.9299999999999997    0.4899999999999999 # H25
 -0.0499999999999997    0.4600000000000000    0.7499999999999999 # H26
  0.8300000000000001    0.3600000000000000    0.8400000000000001 # H27
  0.6900000000000001    0.3700000000000001    0.8100000000000001 # H28
  0.0500000000000002    0.3900000000000000    0.9099999999999997 # H29
  0.9000000000000001    0.4300000000000000    0.9900000000000000 # H30
  0.4500000000000003    0.9600000000000001    0.7499999999999999 # H31
  0.3300000000000000    0.8599999999999998    0.8400000000000001 # H32
  0.1900000000000001    0.8699999999999999    0.8100000000000001 # H33
  0.5500000000000003    0.8899999999999999    0.9099999999999997 # H34
  0.4000000000000001    0.9299999999999997    0.9900000000000000 # H35
  0.4500000000000003    0.4600000000000000    1.2499999999999993 # H36
  0.3300000000000000    0.3600000000000000    0.3400000000000001 # H37
  0.1900000000000001    0.3700000000000001    0.3100000000000001 # H38
  0.5500000000000003    0.3900000000000000    0.4099999999999998 # H39
  0.4000000000000001    0.4300000000000000    0.4899999999999999 # H40
  0.2000000000000003    0.2900000000000000    0.5000000000000000 # H41
  0.0799999999999999    0.3900000000000000    0.5900000000000001 # H42
 -0.0599999999999999    0.3800000000000001    0.5600000000000002 # H43
  0.3000000000000002    0.3600000000000000    0.6599999999999998 # H44
  0.1500000000000001    0.3200000000000001    0.7399999999999999 # H45
  0.2000000000000003    0.7900000000000003    1.0000000000000000 # H46
  0.0799999999999999   -0.1100000000000000    1.0899999999999994 # H47
 -0.0599999999999999   -0.1199999999999999    1.0599999999999996 # H48
  0.3000000000000002    0.8599999999999998    0.1599999999999998 # H49
  0.1500000000000001    0.8200000000000002    0.2400000000000000 # H50
  0.7000000000000003    0.2900000000000000    1.0000000000000000 # H51
  0.5800000000000000    0.3900000000000000    1.0899999999999994 # H52
  0.4400000000000001    0.3800000000000002    1.0599999999999996 # H53
  0.8000000000000003    0.3600000000000000    0.1599999999999998 # H54
  0.6500000000000001    0.3200000000000001    0.2400000000000000 # H55
  0.7000000000000003    0.7900000000000003    0.5000000000000000 # H56
  0.5800000000000000    0.8899999999999999    0.5900000000000001 # H57
  0.4400000000000001    0.8800000000000000    0.5600000000000002 # H58
  0.8000000000000003    0.8599999999999998    0.6599999999999998 # H59
  0.6500000000000001    0.8200000000000002    0.7399999999999999 # H60
  0.3000000000000002    0.2099999999999999    0.5000000000000000 # H61
  0.4200000000000002    1.1099999999999999    0.5900000000000001 # H62
  0.5600000000000005    1.1200000000000001    0.5600000000000002 # H63
  0.2000000000000003    0.1400000000000000    0.6599999999999998 # H64
  0.3499999999999999    0.1800000000000000    0.7399999999999999 # H65
  0.3000000000000002    0.7100000000000001    1.0000000000000000 # H66
  0.4200000000000002    0.6100000000000001    1.0899999999999994 # H67
  0.5600000000000005    0.6200000000000001    1.0599999999999996 # H68
  0.2000000000000003    0.6400000000000001    0.1599999999999998 # H69
  0.3499999999999999    0.6799999999999998    0.2400000000000000 # H70
  0.8000000000000003    0.2099999999999999    1.0000000000000000 # H71
 -0.0799999999999999    0.1100000000000000    1.0899999999999994 # H72
  0.0599999999999999    0.1200000000000001    1.0599999999999996 # H73
  0.6999999999999998    0.1400000000000000    0.1599999999999998 # H74
  0.8499999999999999    0.1800000000000000    0.2400000000000000 # H75
  0.8000000000000003    0.7100000000000001    0.5000000000000000 # H76
 -0.0799999999999999    0.6100000000000001    0.5900000000000001 # H77
  0.0599999999999999    0.6200000000000000    0.5600000000000002 # H78
  0.7000000000000003    0.6400000000000001    0.6599999999999998 # H79
  0.8500000000000005    0.6799999999999998    0.7399999999999999 # H80
