$cell vectors
1.0
 11.0759947882793401    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.0759947882793401    0.0000000000000000
  0.0000000000000000    0.0000000000000053   36.9329826214807682
 124 80
Direct
  0.0000000000000000    0.5000000000000001    0.2499999999999999 # Pu1
  0.0000000000000000    0.5000000000000002    0.0755999999999999 # Pu2
  0.0000000000000000    0.5000000000000001    0.1656000000000000 # Pu3
  0.1586000000000003    0.6586000000000001    0.0000000000000000 # Pu4
  0.2947000000000003    0.4299000000000003    0.0500000000000000 # Pu5
  0.2855000000000003    0.5774000000000000    0.1346000000000000 # Pu6
  0.2819000000000004    0.4125000000000003    0.2114000000000000 # Pu7
  0.7947000000000005    0.9299000000000004    0.5499999999999998 # Pu8
  0.7855000000000006    0.0774000000000001    0.6346000000000001 # Pu9
  0.7819000000000003    0.9125000000000003    0.7113999999999999 # Pu10
  0.0000000000000000    0.4999999999999999    0.7500000000000000 # Pu11
  0.0000000000000000    0.4999999999999998    0.9243999999999999 # Pu12
  0.0000000000000000    0.4999999999999998    0.8344000000000000 # Pu13
  0.8414000000000003    0.3413999999999999    0.0000000000000000 # Pu14
  0.7053000000000003    0.5701000000000003    0.9500000000000000 # Pu15
  0.7145000000000001    0.4226000000000000    0.8653999999999998 # Pu16
  0.7181000000000002    0.5875000000000002    0.7885999999999999 # Pu17
  0.5000000000000002   -0.0000000000000001    0.2499999999999999 # Pu18
  0.5000000000000002   -0.0000000000000002    0.4243999999999999 # Pu19
  0.5000000000000002   -0.0000000000000002    0.3344000000000000 # Pu20
  0.3414000000000005    0.8414000000000000    0.4999999999999999 # Pu21
  0.2053000000000000    0.0700999999999998    0.4500000000000000 # Pu22
  0.2145000000000004    0.9226000000000004    0.3654000000000000 # Pu23
  0.2180999999999999    0.0875000000000002    0.2886000000000000 # Pu24
  0.5000000000000002    0.0000000000000000    0.0755999999999999 # Pu25
  0.5000000000000002   -0.0000000000000001    0.1656000000000000 # Pu26
  0.3413999999999999    0.1585999999999998    0.0000000000000000 # Pu27
  0.5701000000000003    0.2947000000000003    0.0500000000000000 # Pu28
  0.4226000000000004    0.2854999999999998    0.1346000000000000 # Pu29
  0.5875000000000001    0.2819000000000003    0.2114000000000000 # Pu30
  0.0000000000000000    0.4999999999999999    0.5756000000000000 # Pu31
  0.0000000000000000    0.4999999999999999    0.6655999999999999 # Pu32
  0.8414000000000003    0.6586000000000004    0.4999999999999999 # Pu33
  0.0701000000000000    0.7947000000000003    0.5499999999999998 # Pu34
  0.9226000000000006    0.7855000000000003    0.6346000000000001 # Pu35
  0.0875000000000003    0.7819000000000004    0.7113999999999999 # Pu36
  0.5000000000000002    0.0000000000000001    0.7500000000000000 # Pu37
  0.5000000000000002    0.0000000000000000    0.9243999999999999 # Pu38
  0.5000000000000002    0.0000000000000001    0.8344000000000000 # Pu39
  0.6586000000000001    0.8414000000000003    0.0000000000000000 # Pu40
  0.4299000000000003    0.7053000000000003    0.9500000000000000 # Pu41
  0.5774000000000007    0.7145000000000002    0.8653999999999998 # Pu42
  0.4125000000000004    0.7181000000000003    0.7885999999999999 # Pu43
  0.9299000000000006    0.2053000000000002    0.4500000000000000 # Pu44
  0.0773999999999999    0.2145000000000002    0.3654000000000000 # Pu45
  0.9125000000000002    0.2181000000000002    0.2886000000000000 # Pu46
  0.7053000000000003    0.5701000000000003    0.0500000000000000 # Pu47
  0.7145000000000001    0.4226000000000003    0.1346000000000000 # Pu48
  0.7181000000000002    0.5875000000000000    0.2114000000000000 # Pu49
  0.5000000000000002   -0.0000000000000003    0.5756000000000000 # Pu50
  0.5000000000000002    0.0000000000000002    0.6655999999999999 # Pu51
  0.2053000000000004    0.0701000000000002    0.5499999999999998 # Pu52
  0.2145000000000004    0.9226000000000003    0.6346000000000001 # Pu53
  0.2181000000000004    0.0875000000000000    0.7113999999999999 # Pu54
  0.2947000000000003    0.4298999999999999    0.9500000000000000 # Pu55
  0.2855000000000003    0.5774000000000002    0.8653999999999998 # Pu56
  0.2819000000000004    0.4125000000000000    0.7885999999999999 # Pu57
  0.6586000000000001    0.1586000000000001    0.4999999999999999 # Pu58
  0.7947000000000005    0.9299000000000004    0.4500000000000000 # Pu59
  0.7855000000000001    0.0773999999999997    0.3654000000000000 # Pu60
  0.7819000000000003    0.9125000000000001    0.2886000000000000 # Pu61
  0.4299000000000003    0.7053000000000003    0.0500000000000000 # Pu62
  0.5774000000000001    0.7145000000000000    0.1346000000000000 # Pu63
  0.4125000000000004    0.7181000000000001    0.2114000000000000 # Pu64
  0.9299000000000006    0.2053000000000002    0.5499999999999998 # Pu65
  0.0773999999999999    0.2145000000000001    0.6346000000000001 # Pu66
  0.9125000000000002    0.2181000000000000    0.7113999999999999 # Pu67
  0.5701000000000003    0.2946999999999999    0.9500000000000000 # Pu68
  0.4226000000000004    0.2854999999999999    0.8653999999999998 # Pu69
  0.5875000000000001    0.2819000000000000    0.7885999999999999 # Pu70
  0.0701000000000000    0.7947000000000003    0.4500000000000000 # Pu71
  0.9226000000000001    0.7855000000000004    0.3654000000000000 # Pu72
  0.0875000000000003    0.7819000000000002    0.2886000000000000 # Pu73
  0.0000000000000000    0.5000000000000000    0.4243999999999999 # Pu74
  0.0000000000000000    0.5000000000000001    0.3344000000000000 # Pu75
  0.1586000000000003    0.3414000000000003    0.4999999999999999 # Pu76
  0.2947000000000003    0.5701000000000001    0.4500000000000000 # Pu77
  0.2855000000000003    0.4226000000000002    0.3654000000000000 # Pu78
  0.2819000000000004    0.5875000000000000    0.2886000000000000 # Pu79
  0.7947000000000005    0.0701000000000000    0.9500000000000000 # Pu80
  0.7855000000000006    0.9226000000000002    0.8653999999999998 # Pu81
  0.7819000000000003    0.0875000000000000    0.7885999999999999 # Pu82
  0.7053000000000003    0.4299000000000001    0.5499999999999998 # Pu83
  0.7145000000000001    0.5774000000000004    0.6346000000000001 # Pu84
  0.7181000000000002    0.4125000000000001    0.7113999999999999 # Pu85
  0.2053000000000000    0.9299000000000006    0.0500000000000000 # Pu86
  0.2144999999999999    0.0773999999999999    0.1346000000000000 # Pu87
  0.2181000000000004    0.9125000000000001    0.2114000000000000 # Pu88
  0.7053000000000003    0.4299000000000001    0.4500000000000000 # Pu89
  0.7145000000000001    0.5773999999999999    0.3654000000000000 # Pu90
  0.7181000000000002    0.4125000000000003    0.2886000000000000 # Pu91
  0.2053000000000004    0.9299000000000002    0.9500000000000000 # Pu92
  0.2145000000000004    0.0774000000000000    0.8653999999999998 # Pu93
  0.2181000000000004    0.9125000000000003    0.7885999999999999 # Pu94
  0.2947000000000003    0.5701000000000005    0.5499999999999998 # Pu95
  0.2855000000000003    0.4226000000000001    0.6346000000000001 # Pu96
  0.2819000000000004    0.5875000000000002    0.7113999999999999 # Pu97
  0.7947000000000001    0.0701000000000000    0.0500000000000000 # Pu98
  0.7855000000000001    0.9226000000000000    0.1346000000000000 # Pu99
  0.7819000000000003    0.0875000000000002    0.2114000000000000 # Pu100
  0.4299000000000003    0.2947000000000001    0.4500000000000000 # Pu101
  0.5774000000000001    0.2854999999999997    0.3654000000000000 # Pu102
  0.4125000000000004    0.2819000000000003    0.2886000000000000 # Pu103
  0.9299000000000006    0.7947000000000001    0.9500000000000000 # Pu104
  0.0774000000000004    0.7855000000000002    0.8653999999999998 # Pu105
  0.9125000000000002    0.7819000000000004    0.7885999999999999 # Pu106
  0.5701000000000003    0.7053000000000005    0.5499999999999998 # Pu107
  0.4226000000000004    0.7145000000000004    0.6346000000000001 # Pu108
  0.5875000000000006    0.7181000000000003    0.7113999999999999 # Pu109
  0.0701000000000000    0.2052999999999999    0.0500000000000000 # Pu110
  0.9226000000000001    0.2144999999999999    0.1346000000000000 # Pu111
  0.0875000000000003    0.2180999999999998    0.2114000000000000 # Pu112
  0.5701000000000003    0.7053000000000000    0.4500000000000000 # Pu113
  0.4226000000000004    0.7144999999999999    0.3654000000000000 # Pu114
  0.5875000000000001    0.7181000000000001    0.2886000000000000 # Pu115
  0.0701000000000005    0.2053000000000000    0.9500000000000000 # Pu116
  0.9226000000000006    0.2144999999999999    0.8653999999999998 # Pu117
  0.0875000000000003    0.2181000000000000    0.7885999999999999 # Pu118
  0.4299000000000003    0.2947000000000000    0.5499999999999998 # Pu119
  0.5774000000000001    0.2855000000000000    0.6346000000000001 # Pu120
  0.4125000000000004    0.2819000000000001    0.7113999999999999 # Pu121
  0.9299000000000006    0.7947000000000001    0.0500000000000000 # Pu122
  0.0773999999999999    0.7855000000000000    0.1346000000000000 # Pu123
  0.9125000000000002    0.7819000000000002    0.2114000000000000 # Pu124
  0.0000000000000000    0.0000000000000000    0.0000000000000000 # Rh1
  0.0000000000000000   -0.0000000000000001    0.2499999999999999 # Rh2
  0.0000000000000000    0.0000000000000000    0.0940000000000001 # Rh3
  0.0000000000000000   -0.0000000000000001    0.1733999999999999 # Rh4
  0.4035000000000000    0.9035000000000002    0.0000000000000000 # Rh5
  0.1812000000000002    0.6812000000000005    0.0726000000000000 # Rh6
  0.3417000000000004    0.8417000000000001    0.1269000000000001 # Rh7
  0.1536000000000003    0.6536000000000000    0.2109000000000001 # Rh8
  0.5000000000000002    0.5000000000000000    0.4999999999999999 # Rh9
  0.5000000000000002    0.4999999999999999    0.7500000000000000 # Rh10
  0.5000000000000002    0.4999999999999999    0.5939999999999999 # Rh11
  0.5000000000000002    0.4999999999999999    0.6734000000000001 # Rh12
  0.9035000000000002    0.4034999999999997    0.4999999999999999 # Rh13
  0.6812000000000005    0.1811999999999999    0.5726000000000000 # Rh14
  0.8417000000000002    0.3417000000000002    0.6268999999999999 # Rh15
  0.6536000000000001    0.1536000000000000    0.7108999999999999 # Rh16
  0.0000000000000000    0.0000000000000001    0.7500000000000000 # Rh17
  0.0000000000000000    0.0000000000000000    0.9059999999999999 # Rh18
  0.0000000000000000    0.0000000000000001    0.8266000000000000 # Rh19
  0.5965000000000000    0.0965000000000003    0.0000000000000000 # Rh20
  0.8188000000000004    0.3188000000000001    0.9273999999999998 # Rh21
  0.6583000000000006    0.1582999999999999    0.8731000000000000 # Rh22
  0.8464000000000003    0.3464000000000000    0.7890999999999999 # Rh23
  0.5000000000000002    0.5000000000000001    0.2499999999999999 # Rh24
  0.5000000000000002    0.5000000000000000    0.4060000000000000 # Rh25
  0.5000000000000002    0.5000000000000001    0.3265999999999999 # Rh26
  0.0965000000000003    0.5965000000000004    0.4999999999999999 # Rh27
  0.3188000000000001    0.8188000000000002    0.4274000000000000 # Rh28
  0.1583000000000003    0.6583000000000003    0.3731000000000000 # Rh29
  0.3464000000000004    0.8464000000000002    0.2891000000000001 # Rh30
  0.0965000000000003    0.4035000000000000    0.0000000000000000 # Rh31
  0.3188000000000001    0.1812000000000001    0.0726000000000000 # Rh32
  0.1583000000000003    0.3416999999999999    0.1269000000000001 # Rh33
  0.3464000000000004    0.1536000000000002    0.2109000000000001 # Rh34
  0.5965000000000006    0.9035000000000000    0.4999999999999999 # Rh35
  0.8188000000000004    0.6812000000000002    0.5726000000000000 # Rh36
  0.6583000000000006    0.8416999999999999    0.6268999999999999 # Rh37
  0.8464000000000003    0.6536000000000003    0.7108999999999999 # Rh38
  0.9035000000000002    0.5965000000000000    0.0000000000000000 # Rh39
  0.6812000000000005    0.8188000000000000    0.9273999999999998 # Rh40
  0.8417000000000002    0.6583000000000001    0.8731000000000000 # Rh41
  0.6536000000000006    0.8464000000000003    0.7890999999999999 # Rh42
  0.1812000000000002    0.3187999999999999    0.4274000000000000 # Rh43
  0.3416999999999999    0.1583000000000001    0.3731000000000000 # Rh44
  0.1536000000000003    0.3464000000000003    0.2891000000000001 # Rh45
  0.8188000000000004    0.3188000000000001    0.0726000000000000 # Rh46
  0.6583000000000001    0.1583000000000002    0.1269000000000001 # Rh47
  0.8464000000000003    0.3464000000000003    0.2109000000000001 # Rh48
  0.3188000000000001    0.8188000000000002    0.5726000000000000 # Rh49
  0.1583000000000003    0.6583000000000002    0.6268999999999999 # Rh50
  0.3464000000000004    0.8464000000000003    0.7108999999999999 # Rh51
  0.1812000000000002    0.6812000000000000    0.9273999999999998 # Rh52
  0.3417000000000004    0.8417000000000003    0.8731000000000000 # Rh53
  0.1536000000000003    0.6536000000000003    0.7890999999999999 # Rh54
  0.6812000000000005    0.1812000000000000    0.4274000000000000 # Rh55
  0.8417000000000002    0.3416999999999998    0.3731000000000000 # Rh56
  0.6536000000000001    0.1536000000000002    0.2891000000000001 # Rh57
  0.6812000000000005    0.8188000000000004    0.0726000000000000 # Rh58
  0.8417000000000002    0.6583000000000000    0.1269000000000001 # Rh59
  0.6536000000000001    0.8464000000000002    0.2109000000000001 # Rh60
  0.1812000000000002    0.3187999999999999    0.5726000000000000 # Rh61
  0.3416999999999999    0.1583000000000000    0.6268999999999999 # Rh62
  0.1536000000000003    0.3464000000000001    0.7108999999999999 # Rh63
  0.3188000000000001    0.1812000000000002    0.9273999999999998 # Rh64
  0.1583000000000003    0.3417000000000000    0.8731000000000000 # Rh65
  0.3464000000000004    0.1535999999999999    0.7890999999999999 # Rh66
  0.8188000000000004    0.6812000000000002    0.4274000000000000 # Rh67
  0.6583000000000006    0.8417000000000000    0.3731000000000000 # Rh68
  0.8464000000000003    0.6536000000000000    0.2891000000000001 # Rh69
  0.0000000000000000   -0.0000000000000002    0.4999999999999999 # Rh70
  0.0000000000000000   -0.0000000000000002    0.4060000000000000 # Rh71
  0.0000000000000000   -0.0000000000000002    0.3265999999999999 # Rh72
  0.4035000000000005    0.0965000000000000    0.4999999999999999 # Rh73
  0.5000000000000002    0.5000000000000002    0.0000000000000000 # Rh74
  0.5000000000000002    0.4999999999999998    0.9059999999999999 # Rh75
  0.5000000000000002    0.4999999999999998    0.8266000000000000 # Rh76
  0.0000000000000000   -0.0000000000000003    0.5939999999999999 # Rh77
  0.0000000000000000    0.0000000000000002    0.6734000000000001 # Rh78
  0.5000000000000002    0.5000000000000002    0.0940000000000001 # Rh79
  0.5000000000000002    0.5000000000000001    0.1733999999999999 # Rh80
