Commit 0f2935e0 authored by Francisco Javier Dominguez Gutierrez's avatar Francisco Javier Dominguez Gutierrez
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Geometry of the bcc lattice Fe cell. It is also called defect free Fe sample...

Geometry of the bcc lattice Fe cell. It is also called defect free Fe sample at a temperature of 0 K.
parent 963296dd
128
Lattice=" 11.44999999 0.00000000 0.00000000 0.00000000 11.44999999 0.00000000 0.00000000 0.00000000 11.44999999" Properties=species:S:1:pos:R:3:id:I:1
Fe 0.0 0.0 0.0 1
Fe 0.0 0.0 2.8665 2
Fe 0.0 0.0 5.7329998 3
Fe 0.0 0.0 8.5994997 4
Fe 0.0 2.8665 0.0 5
Fe 0.0 2.8665 2.8665 6
Fe 0.0 2.8665 5.7329998 7
Fe 0.0 2.8665 8.5994997 8
Fe 0.0 5.7329998 0.0 9
Fe 0.0 5.7329998 2.8665 10
Fe 0.0 5.7329998 5.7329998 11
Fe 0.0 5.7329998 8.5994997 12
Fe 0.0 8.5994997 0.0 13
Fe 0.0 8.5994997 2.8665 14
Fe 0.0 8.5994997 5.7329998 15
Fe 0.0 8.5994997 8.5994997 16
Fe 2.8665 0.0 0.0 17
Fe 2.8665 0.0 2.8665 18
Fe 2.8665 0.0 5.7329998 19
Fe 2.8665 0.0 8.5994997 20
Fe 2.8665 2.8665 0.0 21
Fe 2.8665 2.8665 2.8665 22
Fe 2.8665 2.8665 5.7329998 23
Fe 2.8665 2.8665 8.5994997 24
Fe 2.8665 5.7329998 0.0 25
Fe 2.8665 5.7329998 2.8665 26
Fe 2.8665 5.7329998 5.7329998 27
Fe 2.8665 5.7329998 8.5994997 28
Fe 2.8665 8.5994997 0.0 29
Fe 2.8665 8.5994997 2.8665 30
Fe 2.8665 8.5994997 5.7329998 31
Fe 2.8665 8.5994997 8.5994997 32
Fe 5.7329998 0.0 0.0 33
Fe 5.7329998 0.0 2.8665 34
Fe 5.7329998 0.0 5.7329998 35
Fe 5.7329998 0.0 8.5994997 36
Fe 5.7329998 2.8665 0.0 37
Fe 5.7329998 2.8665 2.8665 38
Fe 5.7329998 2.8665 5.7329998 39
Fe 5.7329998 2.8665 8.5994997 40
Fe 5.7329998 5.7329998 0.0 41
Fe 5.7329998 5.7329998 2.8665 42
Fe 5.7329998 5.7329998 5.7329998 43
Fe 5.7329998 5.7329998 8.5994997 44
Fe 5.7329998 8.5994997 0.0 45
Fe 5.7329998 8.5994997 2.8665 46
Fe 5.7329998 8.5994997 5.7329998 47
Fe 5.7329998 8.5994997 8.5994997 48
Fe 8.5994997 0.0 0.0 49
Fe 8.5994997 0.0 2.8665 50
Fe 8.5994997 0.0 5.7329998 51
Fe 8.5994997 0.0 8.5994997 52
Fe 8.5994997 2.8665 0.0 53
Fe 8.5994997 2.8665 2.8665 54
Fe 8.5994997 2.8665 5.7329998 55
Fe 8.5994997 2.8665 8.5994997 56
Fe 8.5994997 5.7329998 0.0 57
Fe 8.5994997 5.7329998 2.8665 58
Fe 8.5994997 5.7329998 5.7329998 59
Fe 8.5994997 5.7329998 8.5994997 60
Fe 8.5994997 8.5994997 0.0 61
Fe 8.5994997 8.5994997 2.8665 62
Fe 8.5994997 8.5994997 5.7329998 63
Fe 8.5994997 8.5994997 8.5994997 64
Fe 1.43325 1.43325 1.43325 65
Fe 1.43325 1.43325 4.2997499 66
Fe 1.43325 1.43325 7.1662498 67
Fe 1.43325 1.43325 10.0327492 68
Fe 1.43325 4.2997499 1.43325 69
Fe 1.43325 4.2997499 4.2997499 70
Fe 1.43325 4.2997499 7.1662498 71
Fe 1.43325 4.2997499 10.0327492 72
Fe 1.43325 7.1662498 1.43325 73
Fe 1.43325 7.1662498 4.2997499 74
Fe 1.43325 7.1662498 7.1662498 75
Fe 1.43325 7.1662498 10.0327492 76
Fe 1.43325 10.0327492 1.43325 77
Fe 1.43325 10.0327492 4.2997499 78
Fe 1.43325 10.0327492 7.1662498 79
Fe 1.43325 10.0327492 10.0327492 80
Fe 4.2997499 1.43325 1.43325 81
Fe 4.2997499 1.43325 4.2997499 82
Fe 4.2997499 1.43325 7.1662498 83
Fe 4.2997499 1.43325 10.0327492 84
Fe 4.2997499 4.2997499 1.43325 85
Fe 4.2997499 4.2997499 4.2997499 86
Fe 4.2997499 4.2997499 7.1662498 87
Fe 4.2997499 4.2997499 10.0327492 88
Fe 4.2997499 7.1662498 1.43325 89
Fe 4.2997499 7.1662498 4.2997499 90
Fe 4.2997499 7.1662498 7.1662498 91
Fe 4.2997499 7.1662498 10.0327492 92
Fe 4.2997499 10.0327492 1.43325 93
Fe 4.2997499 10.0327492 4.2997499 94
Fe 4.2997499 10.0327492 7.1662498 95
Fe 4.2997499 10.0327492 10.0327492 96
Fe 7.1662498 1.43325 1.43325 97
Fe 7.1662498 1.43325 4.2997499 98
Fe 7.1662498 1.43325 7.1662498 99
Fe 7.1662498 1.43325 10.0327492 100
Fe 7.1662498 4.2997499 1.43325 101
Fe 7.1662498 4.2997499 4.2997499 102
Fe 7.1662498 4.2997499 7.1662498 103
Fe 7.1662498 4.2997499 10.0327492 104
Fe 7.1662498 7.1662498 1.43325 105
Fe 7.1662498 7.1662498 4.2997499 106
Fe 7.1662498 7.1662498 7.1662498 107
Fe 7.1662498 7.1662498 10.0327492 108
Fe 7.1662498 10.0327492 1.43325 109
Fe 7.1662498 10.0327492 4.2997499 110
Fe 7.1662498 10.0327492 7.1662498 111
Fe 7.1662498 10.0327492 10.0327492 112
Fe 10.0327492 1.43325 1.43325 113
Fe 10.0327492 1.43325 4.2997499 114
Fe 10.0327492 1.43325 7.1662498 115
Fe 10.0327492 1.43325 10.0327492 116
Fe 10.0327492 4.2997499 1.43325 117
Fe 10.0327492 4.2997499 4.2997499 118
Fe 10.0327492 4.2997499 7.1662498 119
Fe 10.0327492 4.2997499 10.0327492 120
Fe 10.0327492 7.1662498 1.43325 121
Fe 10.0327492 7.1662498 4.2997499 122
Fe 10.0327492 7.1662498 7.1662498 123
Fe 10.0327492 7.1662498 10.0327492 124
Fe 10.0327492 10.0327492 1.43325 125
Fe 10.0327492 10.0327492 4.2997499 126
Fe 10.0327492 10.0327492 7.1662498 127
Fe 10.0327492 10.0327492 10.0327492 128
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