acetylene away from Si surface 1.0 15.46892000 0.00000000 0.00000000 0.00000000 15.46892000 0.00000000 0.00000000 0.00000000 33.87636000 Si H C 256 34 2 Selective dynamics Direct 0.06250000 0.00000000 0.27801633 F F F # 1 Si1 0.18750000 0.00000000 0.72198367 T T T # 2 Si2 0.06250000 0.00000000 0.43945900 F F F # 3 Si3 0.18750000 0.00000000 0.56054100 F F F # 4 Si4 0.06250000 0.00000000 0.60090167 T T T # 5 Si5 0.18750000 0.00000000 0.39909833 F F F # 6 Si6 0.06250000 0.00000000 0.76234434 T T T # 7 Si7 0.18750000 0.00000000 0.23765566 F F F # 8 Si8 0.06250000 0.12500000 0.31837700 F F F # 9 Si9 0.18750000 0.12500000 0.68162300 T T T # 10 Si10 0.06250000 0.12500000 0.47981967 F F F # 11 Si11 0.18750000 0.12500000 0.52018033 F F F # 12 Si12 0.06250000 0.12500000 0.64126234 T T T # 13 Si13 0.18750000 0.12500000 0.35873766 F F F # 14 Si14 0.06250000 0.12500000 0.80270501 T T T # 15 Si15 0.18750000 0.12500000 0.19729499 F F F # 16 Si16 0.06250000 0.25000000 0.27801633 F F F # 17 Si17 0.18750000 0.25000000 0.72198367 T T T # 18 Si18 0.06250000 0.25000000 0.43945900 F F F # 19 Si19 0.18750000 0.25000000 0.56054100 F F F # 20 Si20 0.06250000 0.25000000 0.60090167 T T T # 21 Si21 0.18750000 0.25000000 0.39909833 F F F # 22 Si22 0.06250000 0.25000000 0.76234434 T T T # 23 Si23 0.18750000 0.25000000 0.23765566 F F F # 24 Si24 0.06250000 0.37500000 0.31837700 F F F # 25 Si25 0.18750000 0.37500000 0.68162300 T T T # 26 Si26 0.06250000 0.37500000 0.47981967 F F F # 27 Si27 0.18750000 0.37500000 0.52018033 F F F # 28 Si28 0.06250000 0.37500000 0.64126234 T T T # 29 Si29 0.18750000 0.37500000 0.35873766 F F F # 30 Si30 0.06250000 0.37500000 0.80270501 T T T # 31 Si31 0.18750000 0.37500000 0.19729499 F F F # 32 Si32 0.06250000 0.50000000 0.27801633 F F F # 33 Si33 0.18750000 0.50000000 0.72198367 T T T # 34 Si34 0.06250000 0.50000000 0.43945900 F F F # 35 Si35 0.18750000 0.50000000 0.56054100 F F F # 36 Si36 0.06250000 0.50000000 0.60090167 T T T # 37 Si37 0.18750000 0.50000000 0.39909833 F F F # 38 Si38 0.06250000 0.50000000 0.76234434 T T T # 39 Si39 0.18750000 0.50000000 0.23765566 F F F # 40 Si40 0.06250000 0.62500000 0.31837700 F F F # 41 Si41 0.18750000 0.62500000 0.68162300 T T T # 42 Si42 0.06250000 0.62500000 0.47981967 F F F # 43 Si43 0.18750000 0.62500000 0.52018033 F F F # 44 Si44 0.06250000 0.62500000 0.64126234 T T T # 45 Si45 0.18750000 0.62500000 0.35873766 F F F # 46 Si46 0.06250000 0.62500000 0.80270501 T T T # 47 Si47 0.18750000 0.62500000 0.19729499 F F F # 48 Si48 0.06250000 0.75000000 0.27801633 F F F # 49 Si49 0.18750000 0.75000000 0.72198367 T T T # 50 Si50 0.06250000 0.75000000 0.43945900 F F F # 51 Si51 0.18750000 0.75000000 0.56054100 F F F # 52 Si52 0.06250000 0.75000000 0.60090167 T T T # 53 Si53 0.18750000 0.75000000 0.39909833 F F F # 54 Si54 0.06250000 0.75000000 0.76234434 T T T # 55 Si55 0.18750000 0.75000000 0.23765566 F F F # 56 Si56 0.06250000 0.87500000 0.31837700 F F F # 57 Si57 0.18750000 0.87500000 0.68162300 T T T # 58 Si58 0.06250000 0.87500000 0.47981967 F F F # 59 Si59 0.18750000 0.87500000 0.52018033 F F F # 60 Si60 0.06250000 0.87500000 0.64126234 T T T # 61 Si61 0.18750000 0.87500000 0.35873766 F F F # 62 Si62 0.06250000 0.87500000 0.80270501 T T T # 63 Si63 0.18750000 0.87500000 0.19729499 F F F # 64 Si64 0.31250000 0.00000000 0.27801633 F F F # 65 Si65 0.43750000 0.00000000 0.72198367 T T T # 66 Si66 0.31250000 0.00000000 0.43945900 F F F # 67 Si67 0.43750000 0.00000000 0.56054100 F F F # 68 Si68 0.31250000 0.00000000 0.60090167 T T T # 69 Si69 0.43750000 0.00000000 0.39909833 F F F # 70 Si70 0.31250000 0.00000000 0.76234434 T T T # 71 Si71 0.43750000 0.00000000 0.23765566 F F F # 72 Si72 0.31250000 0.12500000 0.31837700 F F F # 73 Si73 0.43750000 0.12500000 0.68162300 T T T # 74 Si74 0.31250000 0.12500000 0.47981967 F F F # 75 Si75 0.43750000 0.12500000 0.52018033 F F F # 76 Si76 0.31250000 0.12500000 0.64126234 T T T # 77 Si77 0.43750000 0.12500000 0.35873766 F F F # 78 Si78 0.31250000 0.12500000 0.80270501 T T T # 79 Si79 0.43750000 0.12500000 0.19729499 F F F # 80 Si80 0.31250000 0.25000000 0.27801633 F F F # 81 Si81 0.43750000 0.25000000 0.72198367 T T T # 82 Si82 0.31250000 0.25000000 0.43945900 F F F # 83 Si83 0.43750000 0.25000000 0.56054100 F F F # 84 Si84 0.31250000 0.25000000 0.60090167 T T T # 85 Si85 0.43750000 0.25000000 0.39909833 F F F # 86 Si86 0.31250000 0.25000000 0.76234434 T T T # 87 Si87 0.43750000 0.25000000 0.23765566 F F F # 88 Si88 0.31250000 0.37500000 0.31837700 F F F # 89 Si89 0.43750000 0.37500000 0.68162300 T T T # 90 Si90 0.31250000 0.37500000 0.47981967 F F F # 91 Si91 0.43750000 0.37500000 0.52018033 F F F # 92 Si92 0.31250000 0.37500000 0.64126234 T T T # 93 Si93 0.43750000 0.37500000 0.35873766 F F F # 94 Si94 0.31250000 0.37500000 0.80270501 T T T # 95 Si95 0.43750000 0.37500000 0.19729499 F F F # 96 Si96 0.31250000 0.50000000 0.27801633 F F F # 97 Si97 0.43750000 0.50000000 0.72198367 T T T # 98 Si98 0.31250000 0.50000000 0.43945900 F F F # 99 Si99 0.43750000 0.50000000 0.56054100 F F F # 100 Si100 0.31250000 0.50000000 0.60090167 T T T # 101 Si101 0.43750000 0.50000000 0.39909833 F F F # 102 Si102 0.31250000 0.50000000 0.76234434 T T T # 103 Si103 0.43750000 0.50000000 0.23765566 F F F # 104 Si104 0.31250000 0.62500000 0.31837700 F F F # 105 Si105 0.43750000 0.62500000 0.68162300 T T T # 106 Si106 0.31250000 0.62500000 0.47981967 F F F # 107 Si107 0.43750000 0.62500000 0.52018033 F F F # 108 Si108 0.31250000 0.62500000 0.64126234 T T T # 109 Si109 0.43750000 0.62500000 0.35873766 F F F # 110 Si110 0.31250000 0.62500000 0.80270501 T T T # 111 Si111 0.43750000 0.62500000 0.19729499 F F F # 112 Si112 0.31250000 0.75000000 0.27801633 F F F # 113 Si113 0.43750000 0.75000000 0.72198367 T T T # 114 Si114 0.31250000 0.75000000 0.43945900 F F F # 115 Si115 0.43750000 0.75000000 0.56054100 F F F # 116 Si116 0.31250000 0.75000000 0.60090167 T T T # 117 Si117 0.43750000 0.75000000 0.39909833 F F F # 118 Si118 0.31250000 0.75000000 0.76234434 T T T # 119 Si119 0.43750000 0.75000000 0.23765566 F F F # 120 Si120 0.31250000 0.87500000 0.31837700 F F F # 121 Si121 0.43750000 0.87500000 0.68162300 T T T # 122 Si122 0.31250000 0.87500000 0.47981967 F F F # 123 Si123 0.43750000 0.87500000 0.52018033 F F F # 124 Si124 0.31250000 0.87500000 0.64126234 T T T # 125 Si125 0.43750000 0.87500000 0.35873766 F F F # 126 Si126 0.31250000 0.87500000 0.80270501 T T T # 127 Si127 0.43750000 0.87500000 0.19729499 F F F # 128 Si128 0.56250000 0.00000000 0.27801633 F F F # 129 Si129 0.68750000 0.00000000 0.72198367 T T T # 130 Si130 0.56250000 0.00000000 0.43945900 F F F # 131 Si131 0.68750000 0.00000000 0.56054100 F F F # 132 Si132 0.56250000 0.00000000 0.60090167 T T T # 133 Si133 0.68750000 0.00000000 0.39909833 F F F # 134 Si134 0.56250000 0.00000000 0.76234434 T T T # 135 Si135 0.68750000 0.00000000 0.23765566 F F F # 136 Si136 0.56250000 0.12500000 0.31837700 F F F # 137 Si137 0.68750000 0.12500000 0.68162300 T T T # 138 Si138 0.56250000 0.12500000 0.47981967 F F F # 139 Si139 0.68750000 0.12500000 0.52018033 F F F # 140 Si140 0.56250000 0.12500000 0.64126234 T T T # 141 Si141 0.68750000 0.12500000 0.35873766 F F F # 142 Si142 0.56250000 0.12500000 0.80270501 T T T # 143 Si143 0.68750000 0.12500000 0.19729499 F F F # 144 Si144 0.56250000 0.25000000 0.27801633 F F F # 145 Si145 0.68750000 0.25000000 0.72198367 T T T # 146 Si146 0.56250000 0.25000000 0.43945900 F F F # 147 Si147 0.68750000 0.25000000 0.56054100 F F F # 148 Si148 0.56250000 0.25000000 0.60090167 T T T # 149 Si149 0.68750000 0.25000000 0.39909833 F F F # 150 Si150 0.56250000 0.25000000 0.76234434 T T T # 151 Si151 0.68750000 0.25000000 0.23765566 F F F # 152 Si152 0.56250000 0.37500000 0.31837700 F F F # 153 Si153 0.68750000 0.37500000 0.68162300 T T T # 154 Si154 0.56250000 0.37500000 0.47981967 F F F # 155 Si155 0.68750000 0.37500000 0.52018033 F F F # 156 Si156 0.56250000 0.37500000 0.64126234 T T T # 157 Si157 0.68750000 0.37500000 0.35873766 F F F # 158 Si158 0.56250000 0.37500000 0.80270501 T T T # 159 Si159 0.68750000 0.37500000 0.19729499 F F F # 160 Si160 0.56250000 0.50000000 0.27801633 F F F # 161 Si161 0.68750000 0.50000000 0.72198367 T T T # 162 Si162 0.56250000 0.50000000 0.43945900 F F F # 163 Si163 0.68750000 0.50000000 0.56054100 F F F # 164 Si164 0.56250000 0.50000000 0.60090167 T T T # 165 Si165 0.68750000 0.50000000 0.39909833 F F F # 166 Si166 0.56250000 0.50000000 0.76234434 T T T # 167 Si167 0.68750000 0.50000000 0.23765566 F F F # 168 Si168 0.56250000 0.62500000 0.31837700 F F F # 169 Si169 0.68750000 0.62500000 0.68162300 T T T # 170 Si170 0.56250000 0.62500000 0.47981967 F F F # 171 Si171 0.68750000 0.62500000 0.52018033 F F F # 172 Si172 0.56250000 0.62500000 0.64126234 T T T # 173 Si173 0.68750000 0.62500000 0.35873766 F F F # 174 Si174 0.56250000 0.62500000 0.80270501 T T T # 175 Si175 0.68750000 0.62500000 0.19729499 F F F # 176 Si176 0.56250000 0.75000000 0.27801633 F F F # 177 Si177 0.68750000 0.75000000 0.72198367 T T T # 178 Si178 0.56250000 0.75000000 0.43945900 F F F # 179 Si179 0.68750000 0.75000000 0.56054100 F F F # 180 Si180 0.56250000 0.75000000 0.60090167 T T T # 181 Si181 0.68750000 0.75000000 0.39909833 F F F # 182 Si182 0.56250000 0.75000000 0.76234434 T T T # 183 Si183 0.68750000 0.75000000 0.23765566 F F F # 184 Si184 0.56250000 0.87500000 0.31837700 F F F # 185 Si185 0.68750000 0.87500000 0.68162300 T T T # 186 Si186 0.56250000 0.87500000 0.47981967 F F F # 187 Si187 0.68750000 0.87500000 0.52018033 F F F # 188 Si188 0.56250000 0.87500000 0.64126234 T T T # 189 Si189 0.68750000 0.87500000 0.35873766 F F F # 190 Si190 0.56250000 0.87500000 0.80270501 T T T # 191 Si191 0.68750000 0.87500000 0.19729499 F F F # 192 Si192 0.81250000 0.00000000 0.27801633 F F F # 193 Si193 0.93750000 0.00000000 0.72198367 T T T # 194 Si194 0.81250000 0.00000000 0.43945900 F F F # 195 Si195 0.93750000 0.00000000 0.56054100 F F F # 196 Si196 0.81250000 0.00000000 0.60090167 T T T # 197 Si197 0.93750000 0.00000000 0.39909833 F F F # 198 Si198 0.81250000 0.00000000 0.76234434 T T T # 199 Si199 0.93750000 0.00000000 0.23765566 F F F # 200 Si200 0.81250000 0.12500000 0.31837700 F F F # 201 Si201 0.93750000 0.12500000 0.68162300 T T T # 202 Si202 0.81250000 0.12500000 0.47981967 F F F # 203 Si203 0.93750000 0.12500000 0.52018033 F F F # 204 Si204 0.81250000 0.12500000 0.64126234 T T T # 205 Si205 0.93750000 0.12500000 0.35873766 F F F # 206 Si206 0.81250000 0.12500000 0.80270501 T T T # 207 Si207 0.93750000 0.12500000 0.19729499 F F F # 208 Si208 0.81250000 0.25000000 0.27801633 F F F # 209 Si209 0.93750000 0.25000000 0.72198367 T T T # 210 Si210 0.81250000 0.25000000 0.43945900 F F F # 211 Si211 0.93750000 0.25000000 0.56054100 F F F # 212 Si212 0.81250000 0.25000000 0.60090167 T T T # 213 Si213 0.93750000 0.25000000 0.39909833 F F F # 214 Si214 0.81250000 0.25000000 0.76234434 T T T # 215 Si215 0.93750000 0.25000000 0.23765566 F F F # 216 Si216 0.81250000 0.37500000 0.31837700 F F F # 217 Si217 0.93750000 0.37500000 0.68162300 T T T # 218 Si218 0.81250000 0.37500000 0.47981967 F F F # 219 Si219 0.93750000 0.37500000 0.52018033 F F F # 220 Si220 0.81250000 0.37500000 0.64126234 T T T # 221 Si221 0.93750000 0.37500000 0.35873766 F F F # 222 Si222 0.81250000 0.37500000 0.80270501 T T T # 223 Si223 0.93750000 0.37500000 0.19729499 F F F # 224 Si224 0.81250000 0.50000000 0.27801633 F F F # 225 Si225 0.93750000 0.50000000 0.72198367 T T T # 226 Si226 0.81250000 0.50000000 0.43945900 F F F # 227 Si227 0.93750000 0.50000000 0.56054100 F F F # 228 Si228 0.81250000 0.50000000 0.60090167 T T T # 229 Si229 0.93750000 0.50000000 0.39909833 F F F # 230 Si230 0.81250000 0.50000000 0.76234434 T T T # 231 Si231 0.93750000 0.50000000 0.23765566 F F F # 232 Si232 0.81250000 0.62500000 0.31837700 F F F # 233 Si233 0.93750000 0.62500000 0.68162300 T T T # 234 Si234 0.81250000 0.62500000 0.47981967 F F F # 235 Si235 0.93750000 0.62500000 0.52018033 F F F # 236 Si236 0.81250000 0.62500000 0.64126234 T T T # 237 Si237 0.93750000 0.62500000 0.35873766 F F F # 238 Si238 0.81250000 0.62500000 0.80270501 T T T # 239 Si239 0.93750000 0.62500000 0.19729499 F F F # 240 Si240 0.81250000 0.75000000 0.27801633 F F F # 241 Si241 0.93750000 0.75000000 0.72198367 T T T # 242 Si242 0.81250000 0.75000000 0.43945900 F F F # 243 Si243 0.93750000 0.75000000 0.56054100 F F F # 244 Si244 0.81250000 0.75000000 0.60090167 T T T # 245 Si245 0.93750000 0.75000000 0.39909833 F F F # 246 Si246 0.81250000 0.75000000 0.76234434 T T T # 247 Si247 0.93750000 0.75000000 0.23765566 F F F # 248 Si248 0.81250000 0.87500000 0.31837700 F F F # 249 Si249 0.93750000 0.87500000 0.68162300 T T T # 250 Si250 0.81250000 0.87500000 0.47981967 F F F # 251 Si251 0.93750000 0.87500000 0.52018033 F F F # 252 Si252 0.81250000 0.87500000 0.64126234 T T T # 253 Si253 0.93750000 0.87500000 0.35873766 F F F # 254 Si254 0.81250000 0.87500000 0.80270501 T T T # 255 Si255 0.93750000 0.87500000 0.19729499 F F F # 256 Si256 0.11231625 0.12498780 0.17286168 T T T # 257 H1 0.11231625 0.37501220 0.17286168 T T T # 258 H2 0.11232576 0.62498813 0.17285111 T T T # 259 H3 0.11231261 0.87501360 0.17286448 T T T # 260 H4 0.36231063 0.12498640 0.17286589 T T T # 261 H5 0.36231063 0.37501360 0.17286589 T T T # 262 H6 0.36225831 0.62497520 0.17290224 T T T # 263 H7 0.36231261 0.87501361 0.17286448 T T T # 264 H8 0.61231626 0.12501220 0.17286168 T T T # 265 H9 0.61231626 0.37498780 0.17286168 T T T # 266 H10 0.76274169 0.62497520 0.17290224 T T T # 267 H11 0.61231261 0.87501361 0.17286448 T T T # 268 H12 0.86231063 0.12501360 0.17286589 T T T # 269 H13 0.86231063 0.37498640 0.17286589 T T T # 270 H14 0.01267424 0.62498813 0.17285111 T T T # 271 H15 0.86231261 0.87501361 0.17286448 T T T # 272 H16 0.26291462 0.12501826 0.17301626 T T T # 273 H17 0.26291462 0.37498173 0.17301626 T T T # 274 H18 0.26291511 0.62501844 0.17302060 T T T # 275 H19 0.26290991 0.87498189 0.17301268 T T T # 276 H20 0.51290844 0.12501553 0.17301203 T T T # 277 H21 0.51290844 0.37498447 0.17301203 T T T # 278 H22 0.51283541 0.62500519 0.17293837 T T T # 279 H23 0.51290991 0.87498189 0.17301268 T T T # 280 H24 0.76291462 0.12498173 0.17301626 T T T # 281 H25 0.76291462 0.37501826 0.17301626 T T T # 282 H26 0.61216458 0.62500519 0.17293837 T T T # 283 H27 0.76290992 0.87498189 0.17301268 T T T # 284 H28 0.01290844 0.12498447 0.17301203 T T T # 285 H29 0.01290844 0.37501553 0.17301203 T T T # 286 H30 0.86208489 0.62501844 0.17302060 T T T # 287 H31 0.01290992 0.87498189 0.17301268 T T T # 288 H32 0.40856990 0.49277791 0.95470965 T T T # 289 H33 0.62022682 0.49277791 0.95470965 T T T # 290 H34 0.47861539 0.49277791 0.95470965 T T T # 291 C1 0.55018134 0.49277791 0.95470965 T T T # 292 C2