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Add ASU #323 
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‎pyxtal/constants.py‎

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# @Zhu's group at U. North Carolina at Charlotte #
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#############################################################
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"""
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# Asymmetric unit bounds for 230 space groups
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# Format: space_group_number x_min x_max y_min y_max z_min z_max
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ASU = np.array([
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[ 0, 1, 0, 1, 0, 1], # SG 1
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[ 0, 1/2, 0, 1, 0, 1], # SG 2
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[ 0, 1, 0, 1, 0, 1/2], # SG 3
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[ 0, 1, 0, 1, 0, 1/2], # SG 4
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 5
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[ 0, 1, 0, 1/2, 0, 1], # SG 6
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[ 0, 1, 0, 1/2, 0, 1], # SG 7
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[ 0, 1, 0, 1/4, 0, 1], # SG 8
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[ 0, 1, 0, 1/4, 0, 1], # SG 9
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 10
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[ 0, 1, 0, 1/4, 0, 1], # SG 11
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[ 0, 1/2, 0, 1/4, 0, 1], # SG 12
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[ 0, 1/2, 0, 1, 0, 1/2], # SG 13
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[ 0, 1, 0, 1/4, 0, 1], # SG 14
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 15
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 16
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 17
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 18
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 19
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 20
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[ 0, 1/4, 0, 1/2, 0, 1], # SG 21
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[ 0, 1/4, 0, 1/4, 0, 1], # SG 22
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 23
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 24
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 25
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 26
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 27
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[ 0, 1/4, 0, 1, 0, 1], # SG 28
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[ 0, 1/4, 0, 1, 0, 1], # SG 29
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[ 0, 1/2, 0, 1, 0, 1/2], # SG 30
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 31
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 32
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 33
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 34
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[ 0, 1/4, 0, 1/2, 0, 1], # SG 35
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 36
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[ 0, 1/4, 0, 1/2, 0, 1], # SG 37
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 38
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[ 0, 1/2, 0, 1/4, 0, 1], # SG 39
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[ 0, 1/4, 0, 1/2, 0, 1], # SG 40
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 41
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[ 0, 1/4, 0, 1/4, 0, 1], # SG 42
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[ 0, 1/4, 0, 1/4, 0, 1], # SG 43
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 44
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 45
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[ 0, 1/4, 0, 1, 0, 1/2], # SG 46
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 47
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[ 0, 1/4, -1/4, 1/4, 0, 1], # SG 48
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 49
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[ 0, 1/4, 0, 1, 0, 1/2], # SG 50
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[ 0, 1/4, 0, 1/2, 0, 1], # SG 51
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[ 0, 1, 0, 1/4, 0, 1/2], # SG 52
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 53
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 54
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 55
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[ 0, 1/4, 0, 1, 0, 1/2], # SG 56
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 57
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 58
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[ 0, 1/4, -1/4, 1/4, 0, 1], # SG 59
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 60
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 61
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[ 0, 1/2, 0, 1/4, 0, 1], # SG 62
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 63
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 64
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 65
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 66
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[ 0, 1/2, 0, 1/4, 0, 1/2], # SG 67
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[ 0, 1/2, 0, 1/4, 0, 1/2], # SG 68
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[ 0, 1/4, 0, 1/4, 0, 1/2], # SG 69
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[ 0, 1/8, -1/8, 1/8, 0, 1], # SG 70
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 71
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 72
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[ 0, 1/4, 0, 1/2, 0, 1/2], # SG 73
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[ 0, 1/4, 0, 1/4, 0, 1], # SG 74
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 75
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 76
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 77
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 78
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 79
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 80
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 81
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 82
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 83
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 84
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 85
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 86
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 87
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[ 0, 1/4, 0, 1/4, 0, 1], # SG 88
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 89
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 90
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[ 0, 1, 0, 1, 0, 1/8], # SG 91
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[ 0, 1, 0, 1, 0, 1/8], # SG 92
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 93
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 94
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[ 0, 1, 0, 1, 0, 1/8], # SG 95
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[ 0, 1, 0, 1, 0, 1/8], # SG 96
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 97
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[ 0, 1/2, 0, 1, 0, 1/8], # SG 98
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 99
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 100
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 101
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 102
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 103
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 104
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 105
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 106
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 107
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 108
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 109
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 110
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 111
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 112
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[ 0, 1/2, 0, 1/2, 0, 1], # SG 113
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 114
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 115
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 116
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 117
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[ 0, 1/2, 0, 1, 0, 1/4], # SG 118
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 119
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 120
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 121
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[ 0, 1/2, 0, 1, 0, 1/8], # SG 122
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 123
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 124
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 125
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 126
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 127
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 128
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 129
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 130
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 131
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 132
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 133
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 134
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 135
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 136
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 137
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[ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 138
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 139
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 140
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[ 0, 1/2, -1/4, 1/4, 0, 1/8], # SG 141
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[ 0, 1/2, -1/4, 1/4, 0, 1/8], # SG 142
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[ 0, 2/3, 0, 2/3, 0, 1], # SG 143
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[ 0, 1, 0, 1, 0, 1/3], # SG 144
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[ 0, 1, 0, 1, 0, 1/3], # SG 145
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[ 0, 2/3, 0, 2/3, 0, 1/3], # SG 146
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 147
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[ 0, 2/3, 0, 2/3, 0, 1/6], # SG 148
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 149
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 150
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[ 0, 1, 0, 1, 0, 1/6], # SG 151
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[ 0, 1, 0, 1, 0, 1/6], # SG 152
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[ 0, 1, 0, 1, 0, 1/6], # SG 153
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[ 0, 1, 0, 1, 0, 1/6], # SG 154
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[ 0, 2/3, 0, 2/3, 0, 1/6], # SG 155
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[ 0, 2/3, 0, 2/3, 0, 1], # SG 156
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[ 0, 2/3, 0, 1/2, 0, 1], # SG 157
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 158
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 159
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[ 0, 2/3, 0, 2/3, 0, 1/3], # SG 160
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[ 0, 2/3, 0, 2/3, 0, 1/6], # SG 161
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 162
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[ 0, 2/3, 0, 2/3, 0, 1/4], # SG 163
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[ 0, 2/3, 0, 1/3, 0, 1], # SG 164
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[ 0, 2/3, 0, 2/3, 0, 1/4], # SG 165
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[ 0, 2/3, 0, 2/3, 0, 1/6], # SG 166
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[ 0, 2/3, 0, 2/3, 0, 1/12], # SG 167
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[ 0, 2/3, 0, 1/2, 0, 1], # SG 168
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[ 0, 1, 0, 1, 0, 1/6], # SG 169
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[ 0, 1, 0, 1, 0, 1/6], # SG 170
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[ 0, 1, 0, 1, 0, 1/3], # SG 171
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[ 0, 1, 0, 1, 0, 1/3], # SG 172
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 173
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[ 0, 2/3, 0, 2/3, 0, 1/2], # SG 174
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 175
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[ 0, 2/3, 0, 2/3, 0, 1/4], # SG 176
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 177
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[ 0, 1, 0, 1, 0, 1/12], # SG 178
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[ 0, 1, 0, 1, 0, 1/12], # SG 179
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[ 0, 1, 0, 1, 0, 1/6], # SG 180
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[ 0, 1, 0, 1, 0, 1/6], # SG 181
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[ 0, 2/3, 0, 2/3, 0, 1/4], # SG 182
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[ 0, 2/3, 0, 1/3, 0, 1], # SG 183
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 184
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 185
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[ 0, 2/3, 0, 1/3, 0, 1], # SG 186
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[ 0, 2/3, 0, 2, 0, 1/2], # SG 187
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[ 0, 2/3, 0, 2, 0, 1/4], # SG 188
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[ 0, 2/3, 0, 1/2, 0, 1/2], # SG 189
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[ 0, 2/3, 0, 2, 0, 1/4], # SG 190
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[ 0, 2/3, 0, 1/3, 0, 1/2], # SG 191
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[ 0, 2/3, 0, 1/2, 0, 1/4], # SG 192
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[ 0, 2/3, 0, 1/2, 0, 1/4], # SG 193
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[ 0, 2/3, 0, 2, 0, 1/4], # SG 194
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[ 0, 1, 0, 1, 0, 1/2], # SG 195
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[ 0, 1/2, 0, 1/2, -1/4, 1/4], # SG 196
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[ 0, 1, 0, 1/2, 0, 1/2], # SG 197
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[ 0, 1/2, 0, 1/2, -1/2, 1/2], # SG 198
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 199
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 200
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[ -1/4, 3/4, -1/4, 1/4, -1/4, 1/4], # SG 201
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 202
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[ -1/8, 3/8, -1/8, 1/8, -3/8, 1/8], # SG 203
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 204
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 205
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 206
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[ 0, 1, 0, 1/2, 0, 1/2], # SG 207
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[ 0, 1/2, 0, 1/2, -1/4, 1/4], # SG 208
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[ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 209
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[ 0, 1/2, -1/8, 1/8, -1/8, 1/8], # SG 210
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 211
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[ 0, 1/2, 0, 3, -1/2, 1/4], # SG 212
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[ -1/4, 1/2, 0, 3, 0, 1/2], # SG 213
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[ -3/8, 1/8, -1/8, 1/8, -1/8, 3/8], # SG 214
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[ 0, 1, 0, 1/2, 0, 1/2], # SG 215
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[ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 216
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 217
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 218
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[ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 219
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[ 1/4, 1/2, 1/4, 1/2, 0, 1/2], # SG 220
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[ 0, 1/2, 0, 1/2, 0, 1/2], # SG 221
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[ 1/4, 3/4, 1/4, 3, 1/4, 3/4], # SG 222
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 223
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[ 1/4, 3, 1/4, 3, 0, 1/2], # SG 224
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[ 0, 1/2, 0, 1/4, 0, 1/4], # SG 225
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[ 0, 1/2, 0, 1/4, 0, 1/4], # SG 226
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[ -1/8, 3/8, -1/8, 0, -1/4, 0], # SG 227
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[ -1/8, 3/8, -1/8, 0, -1/4, 0], # SG 228
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[ 0, 1/2, 0, 1/2, 0, 1/4], # SG 229
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[ -1/8, 1/8, -1/8, 1/8, 0, 1/4], # SG 230
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])

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