iso-propyl-O-Al-O-100%SI + CH4 left
1.0
12.47140000 0.00000000 0.00000000
-3.04885115 19.22970392 0.00000000
0.00000000 0.00000000 32.72700000
Si O Al C H
64 37 24 4 12
Selective dynamics
Direct
0.35320332 0.01336828 0.32985907 F F F # 1 Si1
0.04070332 0.95086828 0.32985907 F F F # 2 Si2
0.91570332 0.82586828 0.24631215 F F F # 3 Si3
0.22820332 0.88836828 0.24631215 F F F # 4 Si29
0.19695332 0.98211828 0.28808561 F F F # 5 Si4
0.10320332 0.76336828 0.32985907 F F F # 6 Si30
0.07195332 0.85711828 0.20453869 F F F # 7 Si31
0.79070332 0.70086828 0.32985907 F F F # 8 Si32
0.66570332 0.57586828 0.24631215 F F F # 9 Si5
0.97820332 0.63836828 0.24631215 F F F # 10 Si6
0.94695332 0.73211828 0.28808561 F F F # 11 Si7
0.85320332 0.51336828 0.32985907 F F F # 12 Si33
0.82195332 0.60711828 0.20453869 F F F # 13 Si8
0.54070332 0.45086828 0.32985907 F F F # 14 Si34
0.41570332 0.32586828 0.24631215 F F F # 15 Si35
0.72820332 0.38836828 0.24631215 F F F # 16 Si9
0.69695332 0.48211828 0.28808561 F F F # 17 Si10
0.60320332 0.26336828 0.32985907 F F F # 18 Si36
0.57195332 0.35711828 0.20453869 F F F # 19 Si37
0.29070332 0.20086828 0.32985907 F F F # 20 Si11
0.16570332 0.07586828 0.24631215 F F F # 21 Si12
0.47820332 0.13836828 0.24631215 F F F # 22 Si13
0.44695332 0.23211828 0.28808561 F F F # 23 Si38
0.32195332 0.10711828 0.20453869 F F F # 24 Si14
0.54070332 0.95086828 0.24631215 F F F # 25 Si39
0.50945332 0.04461828 0.28808561 F F F # 26 Si40
0.85320332 0.01336828 0.24631215 F F F # 27 Si15
0.72820332 0.88836828 0.32985907 F F F # 28 Si41
0.69695332 0.98211828 0.20453869 F F F # 29 Si42
0.41570332 0.82586828 0.32985907 F F F # 30 Si43
0.38445332 0.91961828 0.20453869 F F F # 31 Si16
0.29070332 0.70086828 0.24631215 F F F # 32 Si44
0.25945332 0.79461828 0.28808561 F F F # 33 Si45
0.60320332 0.76336828 0.24631215 F F F # 34 Si17
0.57195332 0.85711828 0.28808561 F F F # 35 Si46
0.47820332 0.63836828 0.32985907 F F F # 36 Si47
0.44695332 0.73211828 0.20453869 F F F # 37 Si48
0.16570332 0.57586828 0.32985907 F F F # 38 Si49
0.13445332 0.66961828 0.20453869 F F F # 39 Si50
0.04070332 0.45086828 0.24631215 F F F # 40 Si51
0.00945332 0.54461828 0.28808561 F F F # 41 Si18
0.35320332 0.51336828 0.24631215 F F F # 42 Si52
0.32195332 0.60711828 0.28808561 F F F # 43 Si19
0.22820332 0.38836828 0.32985907 F F F # 44 Si53
0.19695332 0.48211828 0.20453869 F F F # 45 Si54
0.91570332 0.32586828 0.32985907 F F F # 46 Si55
0.88445332 0.41961828 0.20453869 F F F # 47 Si56
0.79070332 0.20086828 0.24631215 F F F # 48 Si57
0.75945332 0.29461828 0.28808561 F F F # 49 Si58
0.10320332 0.26336828 0.24631215 F F F # 50 Si20
0.07195332 0.35711828 0.28808561 F F F # 51 Si21
0.97820332 0.13836828 0.32985907 F F F # 52 Si59
0.94695332 0.23211828 0.20453869 F F F # 53 Si22
0.66570332 0.07586828 0.32985907 F F F # 54 Si60
0.63445332 0.16961828 0.20453869 F F F # 55 Si61
0.82195332 0.10711828 0.28808561 F F F # 56 Si62
0.00945332 0.04461828 0.20453869 F F F # 57 Si23
0.88445332 0.91961828 0.28808561 F F F # 58 Si24
0.75945332 0.79461828 0.20453869 F F F # 59 Si63
0.63445332 0.66961828 0.28808561 F F F # 60 Si25
0.50945332 0.54461828 0.20453869 F F F # 61 Si64
0.38445332 0.41961828 0.28808561 F F F # 62 Si26
0.25945332 0.29461828 0.20453869 F F F # 63 Si27
0.13445332 0.16961828 0.28808561 F F F # 64 Si28
0.74443935 0.85469896 0.36977756 T T T # 65 O1
0.84650020 0.98227502 0.36977756 T T T # 66 O2
0.74443935 0.10469896 0.36977756 T T T # 67 O3
0.84650020 0.23227502 0.36977756 T T T # 68 O4
0.94856105 0.13021417 0.36977756 T T T # 69 O5
0.74443935 0.35469896 0.36977756 T T T # 70 O6
0.84650020 0.48227502 0.36977756 T T T # 71 O7
0.94856105 0.38021417 0.36977756 T T T # 72 O8
0.74443935 0.60469896 0.36977756 T T T # 73 O9
0.84650020 0.73227502 0.36977756 T T T # 74 O10
0.94856105 0.63021417 0.36977756 T T T # 75 O11
0.94856105 0.88021417 0.36977756 T T T # 76 O12
0.41110602 0.68803229 0.36977756 T T T # 77 O13
0.51316687 0.81560835 0.36977756 T T T # 78 O14
0.61522771 0.71354750 0.36977756 T T T # 79 O15
0.41110602 0.93803229 0.36977756 T T T # 80 O16
0.51316687 0.06560835 0.36977756 T T T # 81 O17
0.61522771 0.96354750 0.36977756 T T T # 82 O18
0.41110602 0.18803229 0.36977756 T T T # 83 O19
0.51316687 0.31560835 0.36977756 T T T # 84 O20
0.61522771 0.21354750 0.36977756 T T T # 85 O21
0.41110602 0.43803229 0.36977756 T T T # 86 O22
0.51316687 0.56560835 0.36977756 T T T # 87 O23
0.61522771 0.46354750 0.36977756 T T T # 88 O24
0.07777269 0.27136563 0.36977756 T T T # 89 O25
0.17983353 0.39894168 0.36977756 T T T # 90 O26
0.07777269 0.52136563 0.36977756 T T T # 91 O27
0.17983353 0.64894168 0.36977756 T T T # 92 O28
0.28189438 0.54688084 0.36977756 T T T # 93 O29
0.07777269 0.77136563 0.36977756 T T T # 94 O30
0.17983353 0.89894168 0.36977756 T T T # 95 O31
0.28189438 0.79688084 0.36977756 T T T # 96 O32
0.07777269 0.02136563 0.36977756 T T T # 97 O33
0.17983353 0.14894168 0.36977756 T T T # 98 O34
0.28189438 0.04688084 0.36977756 T T T # 99 O35
0.28189438 0.29688084 0.36977756 T T T # 100 O36
0.48481945 0.42429690 0.44107772 T T T # 101 O37
0.84650020 0.15572938 0.41072732 T T T # 102 Al1
0.84650020 0.40572938 0.41072732 T T T # 103 Al2
0.84650020 0.65572938 0.41072732 T T T # 104 Al3
0.84650020 0.90572938 0.41072732 T T T # 105 Al4
0.51316687 0.73906272 0.41072732 T T T # 106 Al5
0.62427798 0.87795160 0.39564014 T T T # 107 Al6
0.51316687 0.98906272 0.41072732 T T T # 108 Al7
0.62427798 0.12795160 0.39564014 T T T # 109 Al8
0.51316687 0.23906272 0.41072732 T T T # 110 Al9
0.62427798 0.37795160 0.39564014 T T T # 111 Al10
0.53273182 0.49044298 0.38825941 T T T # 112 Al11
0.62427798 0.62795160 0.39564014 T T T # 113 Al12
0.17983353 0.32239605 0.41072732 T T T # 114 Al13
0.29094465 0.46128494 0.39564014 T T T # 115 Al14
0.17983353 0.57239605 0.41072732 T T T # 116 Al15
0.29094465 0.71128494 0.39564014 T T T # 117 Al16
0.17983353 0.82239605 0.41072732 T T T # 118 Al17
0.29094465 0.96128494 0.39564014 T T T # 119 Al18
0.17983353 0.07239605 0.41072732 T T T # 120 Al19
0.29094465 0.21128494 0.39564014 T T T # 121 Al20
0.95761131 0.04461827 0.39564014 T T T # 122 Al21
0.95761131 0.29461827 0.39564014 T T T # 123 Al22
0.95761131 0.54461827 0.39564014 T T T # 124 Al23
0.95761131 0.79461827 0.39564014 T T T # 125 Al24
0.64648915 0.47928977 0.68844306 T T T # 126 C1
0.34938262 0.49171923 0.48993714 T T T # 127 C2
0.43849925 0.48586564 0.45858474 T T T # 128 C3
0.49059567 0.47030656 0.49970432 T T T # 129 C4
0.58091285 0.51029751 0.68912953 T T T # 130 H1
0.61586834 0.42652119 0.69857776 T T T # 131 H2
0.67749778 0.47786248 0.65736046 T T T # 132 H3
0.30479641 0.43999219 0.49623731 T T T # 133 H4
0.29433638 0.52480964 0.47813403 T T T # 134 H5
0.38667889 0.51400482 0.51814084 T T T # 135 H6
0.47483657 0.53587005 0.44579181 T T T # 136 H7
0.36550336 0.46289640 0.44212088 T T T # 137 H8
0.71168331 0.50248375 0.70870459 T T T # 138 H9
0.52082689 0.51939356 0.51483345 T T T # 139 H10
0.42884792 0.44011419 0.51895181 T T T # 140 H11
0.55675115 0.44176709 0.49510547 T T T # 141 H12