et-OH + CH3-Al-O-Si surface
1.0
12.47140000 0.00000000 0.00000000
-3.04885115 19.22970392 0.00000000
0.00000000 0.00000000 32.72700000
Si Al O C H
64 24 73 3 9
Selective dynamics
Direct
0.15625000 0.03125000 0.56266018 T T T # 1 Si1
0.28125000 0.15625000 0.47911327 F F F # 2 Si2
0.12500000 0.12500000 0.52088673 F F F # 3 Si3
0.46875000 0.09375000 0.56266018 T T T # 4 Si4
0.31250000 0.06250000 0.43733982 F F F # 5 Si5
0.65625000 0.03125000 0.47911327 F F F # 6 Si6
0.40625000 0.28125000 0.56266018 T T T # 7 Si7
0.25000000 0.25000000 0.43733982 F F F # 8 Si8
0.59375000 0.21875000 0.47911327 F F F # 9 Si9
0.43750000 0.18750000 0.52088673 F F F # 10 Si10
0.53125000 0.40625000 0.47911327 F F F # 11 Si11
0.37500000 0.37500000 0.52088673 F F F # 12 Si12
0.71875000 0.34375000 0.56266018 T T T # 13 Si13
0.56250000 0.31250000 0.43733982 F F F # 14 Si14
0.78125000 0.15625000 0.56266018 T T T # 15 Si15
0.62500000 0.12500000 0.43733982 F F F # 16 Si16
0.96875000 0.09375000 0.47911327 F F F # 17 Si17
0.81250000 0.06250000 0.52088673 F F F # 18 Si18
0.90625000 0.28125000 0.47911327 F F F # 19 Si19
0.75000000 0.25000000 0.52088673 F F F # 20 Si20
0.09375000 0.21875000 0.56266018 T T T # 21 Si21
0.93750000 0.18750000 0.43733982 F F F # 22 Si22
0.65625000 0.53125000 0.56266018 T T T # 23 Si23
0.50000000 0.50000000 0.43733982 F F F # 24 Si24
0.84375000 0.46875000 0.47911327 F F F # 25 Si25
0.68750000 0.43750000 0.52088673 F F F # 26 Si26
0.78125000 0.65625000 0.47911327 F F F # 27 Si27
0.62500000 0.62500000 0.52088673 F F F # 28 Si28
0.96875000 0.59375000 0.56266018 T T T # 29 Si29
0.81250000 0.56250000 0.43733982 F F F # 30 Si30
0.03125000 0.40625000 0.56266018 T T T # 31 Si31
0.87500000 0.37500000 0.43733982 F F F # 32 Si32
0.21875000 0.34375000 0.47911327 F F F # 33 Si33
0.06250000 0.31250000 0.52088673 F F F # 34 Si34
0.15625000 0.53125000 0.47911327 F F F # 35 Si35
0.00000000 0.50000000 0.52088673 F F F # 36 Si36
0.34375000 0.46875000 0.56266018 T T T # 37 Si37
0.18750000 0.43750000 0.43733982 F F F # 38 Si38
0.90625000 0.78125000 0.56266018 T T T # 39 Si39
0.75000000 0.75000000 0.43733982 F F F # 40 Si40
0.09375000 0.71875000 0.47911327 F F F # 41 Si41
0.93750000 0.68750000 0.52088673 F F F # 42 Si42
0.03125000 0.90625000 0.47911327 F F F # 43 Si43
0.87500000 0.87500000 0.52088673 F F F # 44 Si44
0.21875000 0.84375000 0.56266018 T T T # 45 Si45
0.06250000 0.81250000 0.43733982 F F F # 46 Si46
0.28125000 0.65625000 0.56266018 T T T # 47 Si47
0.12500000 0.62500000 0.43733982 F F F # 48 Si48
0.46875000 0.59375000 0.47911327 F F F # 49 Si49
0.31250000 0.56250000 0.52088673 F F F # 50 Si50
0.40625000 0.78125000 0.47911327 F F F # 51 Si51
0.25000000 0.75000000 0.52088673 F F F # 52 Si52
0.59375000 0.71875000 0.56266018 T T T # 53 Si53
0.43750000 0.68750000 0.43733982 F F F # 54 Si54
0.00000000 0.00000000 0.43733982 F F F # 55 Si55
0.34375000 0.96875000 0.47911327 F F F # 56 Si56
0.18750000 0.93750000 0.52088673 F F F # 57 Si57
0.53125000 0.90625000 0.56266018 T T T # 58 Si58
0.37500000 0.87500000 0.43733982 F F F # 59 Si59
0.71875000 0.84375000 0.47911327 F F F # 60 Si60
0.56250000 0.81250000 0.52088673 F F F # 61 Si61
0.50000000 0.00000000 0.52088673 F F F # 62 Si62
0.84375000 0.96875000 0.56266018 T T T # 63 Si63
0.68750000 0.93750000 0.43733982 F F F # 64 Si64
0.11111111 0.13888889 0.62377173 T T T # 65 Al1
0.22222222 0.02777778 0.37622827 F F F # 66 Al2
0.44444444 0.05555556 0.62377173 T T T # 67 Al3
0.11111111 0.38888889 0.62377173 T T T # 68 Al4
0.22222222 0.27777778 0.37622827 F F F # 69 Al5
0.44444444 0.30555556 0.62377173 T T T # 70 Al6
0.55555556 0.19444444 0.37622827 F F F # 71 Al7
0.77777778 0.22222222 0.62377173 T T T # 72 Al8
0.88888889 0.11111111 0.37622827 F F F # 73 Al9
0.11111111 0.63888889 0.62377173 T T T # 74 Al10
0.22222222 0.52777778 0.37622827 F F F # 75 Al11
0.44444444 0.55555556 0.62377173 T T T # 76 Al12
0.55555556 0.44444444 0.37622827 F F F # 77 Al13
0.77777778 0.47222222 0.62377173 T T T # 78 Al14
0.88888889 0.36111111 0.37622827 F F F # 79 Al15
0.11111111 0.88888889 0.62377173 T T T # 80 Al16
0.22222222 0.77777778 0.37622827 F F F # 81 Al17
0.44444444 0.80555556 0.62377173 T T T # 82 Al18
0.55555556 0.69444444 0.37622827 F F F # 83 Al19
0.77777778 0.72222222 0.62377173 T T T # 84 Al20
0.88888889 0.61111111 0.37622827 F F F # 85 Al21
0.55555556 0.94444444 0.37622827 F F F # 86 Al22
0.77777778 0.97222222 0.62377173 T T T # 87 Al23
0.88888889 0.86111111 0.37622827 F F F # 88 Al24
0.11111111 0.06234325 0.35036569 F F F # 89 O1
0.00905026 0.16440410 0.35036569 F F F # 90 O2
0.21317196 0.18991931 0.35036569 F F F # 91 O3
0.22222222 0.10432341 0.64963431 T T T # 92 O4
0.32428307 0.00226257 0.64963431 T T T # 93 O5
0.34238360 0.08107077 0.35036569 F F F # 94 O6
0.54650529 0.10658598 0.35036569 F F F # 95 O7
0.55555556 0.02099008 0.64963431 T T T # 96 O8
0.87983862 0.02325265 0.35036569 F F F # 97 O9
0.11111111 0.31234325 0.35036569 F F F # 98 O10
0.00905026 0.41440410 0.35036569 F F F # 99 O11
0.21317196 0.43991931 0.35036569 F F F # 100 O12
0.22222222 0.35432341 0.64963431 T T T # 101 O13
0.32428307 0.25226257 0.64963431 T T T # 102 O14
0.12016138 0.22674735 0.64963431 T T T # 103 O15
0.44444444 0.22900992 0.35036569 F F F # 104 O16
0.34238360 0.33107077 0.35036569 F F F # 105 O17
0.54650529 0.35658598 0.35036569 F F F # 106 O18
0.55555556 0.27099008 0.64963431 T T T # 107 O19
0.65761640 0.16892923 0.64963431 T T T # 108 O20
0.45349471 0.14341402 0.64963431 T T T # 109 O21
0.77777778 0.14567659 0.35036569 F F F # 110 O22
0.67571693 0.24773743 0.35036569 F F F # 111 O23
0.87983862 0.27325265 0.35036569 F F F # 112 O24
0.88888889 0.18765675 0.64963431 T T T # 113 O25
0.99094974 0.08559590 0.64963431 T T T # 114 O26
0.78682804 0.06008069 0.64963431 T T T # 115 O27
0.11111111 0.56234325 0.35036569 F F F # 116 O28
0.00905026 0.66440410 0.35036569 F F F # 117 O29
0.21317196 0.68991931 0.35036569 F F F # 118 O30
0.22222222 0.60432341 0.64963431 T T T # 119 O31
0.32428307 0.50226257 0.64963431 T T T # 120 O32
0.12016138 0.47674735 0.64963431 T T T # 121 O33
0.44444444 0.47900992 0.35036569 F F F # 122 O34
0.34238360 0.58107077 0.35036569 F F F # 123 O35
0.54650529 0.60658598 0.35036569 F F F # 124 O36
0.55555556 0.52099008 0.64963431 T T T # 125 O37
0.65761640 0.41892923 0.64963431 T T T # 126 O38
0.45349471 0.39341402 0.64963431 T T T # 127 O39
0.77777778 0.39567659 0.35036569 F F F # 128 O40
0.67571693 0.49773743 0.35036569 F F F # 129 O41
0.87983862 0.52325265 0.35036569 F F F # 130 O42
0.88888889 0.43765675 0.64963431 T T T # 131 O43
0.99094974 0.33559590 0.64963431 T T T # 132 O44
0.78682804 0.31008069 0.64963431 T T T # 133 O45
0.11111111 0.81234325 0.35036569 F F F # 134 O46
0.00905026 0.91440410 0.35036569 F F F # 135 O47
0.21317196 0.93991931 0.35036569 F F F # 136 O48
0.22222222 0.85432341 0.64963431 T T T # 137 O49
0.32428307 0.75226257 0.64963431 T T T # 138 O50
0.12016138 0.72674735 0.64963431 T T T # 139 O51
0.44444444 0.72900992 0.35036569 F F F # 140 O52
0.34238360 0.83107077 0.35036569 F F F # 141 O53
0.54650529 0.85658598 0.35036569 F F F # 142 O54
0.55555556 0.77099008 0.64963431 T T T # 143 O55
0.65761640 0.66892923 0.64963431 T T T # 144 O56
0.45349471 0.64341402 0.64963431 T T T # 145 O57
0.77777778 0.64567659 0.35036569 F F F # 146 O58
0.67571693 0.74773743 0.35036569 F F F # 147 O59
0.87983862 0.77325265 0.35036569 F F F # 148 O60
0.88888889 0.68765675 0.64963431 T T T # 149 O61
0.99094974 0.58559590 0.64963431 T T T # 150 O62
0.78682804 0.56008069 0.64963431 T T T # 151 O63
0.12016138 0.97674735 0.64963431 T T T # 152 O64
0.44444444 0.97900992 0.35036569 F F F # 153 O65
0.65761640 0.91892923 0.64963431 T T T # 154 O66
0.45349471 0.89341402 0.64963431 T T T # 155 O67
0.77777778 0.89567659 0.35036569 F F F # 156 O68
0.67571693 0.99773743 0.35036569 F F F # 157 O69
0.88888889 0.93765675 0.64963431 T T T # 158 O70
0.99094974 0.83559590 0.64963431 T T T # 159 O71
0.78682804 0.81008069 0.64963431 T T T # 160 O72
0.53132380 0.56428631 0.91774189 T T T # 161 O73
0.55555555 0.52099005 0.69546802 T T T # 162 C1
0.42899758 0.44517075 0.90902379 T T T # 163 C2
0.48429593 0.51106706 0.88684141 T T T # 164 C3
0.62702996 0.50093277 0.70656996 T T T # 165 H1
0.55708864 0.57391699 0.70656998 T T T # 166 H2
0.48254806 0.48812038 0.70656996 T T T # 167 H3
0.34134424 0.44406647 0.90902379 T T T # 168 H4
0.44829341 0.39926603 0.89332327 T T T # 169 H5
0.45821536 0.44553884 0.94042483 T T T # 170 H6
0.42461411 0.53209931 0.86823119 T T T # 171 H7
0.54894392 0.49800306 0.86729674 T T T # 172 H8
0.48460523 0.60073401 0.92875696 T T T # 173 H9