info: xyz2data 18:31, Mon 27-02-2017 256 atoms 2 atom types 0.00000000 17.04000000 xlo xhi 0.00000000 19.67609717 ylo yhi -20.00000000 40.00000000 zlo zhi Atoms 1 1 0.00000000 0.00000000 0.00000000 2 1 1.42000000 0.00000000 0.00000000 3 2 1.42000000 0.00000000 3.30000000 4 2 2.84000000 0.00000000 3.30000000 5 1 2.13000000 1.22975607 0.00000000 6 1 3.55000000 1.22975607 0.00000000 7 2 3.55000000 1.22975607 3.30000000 8 2 4.97000000 1.22975607 3.30000000 9 1 0.00000000 2.45951215 0.00000000 10 1 1.42000000 2.45951215 0.00000000 11 2 1.42000000 2.45951215 3.30000000 12 2 2.84000000 2.45951215 3.30000000 13 1 2.13000000 3.68926822 0.00000000 14 1 3.55000000 3.68926822 0.00000000 15 2 3.55000000 3.68926822 3.30000000 16 2 4.97000000 3.68926822 3.30000000 17 1 0.00000000 4.91902429 0.00000000 18 1 1.42000000 4.91902429 0.00000000 19 2 1.42000000 4.91902429 3.30000000 20 2 2.84000000 4.91902429 3.30000000 21 1 2.13000000 6.14878037 0.00000000 22 1 3.55000000 6.14878037 0.00000000 23 2 3.55000000 6.14878037 3.30000000 24 2 4.97000000 6.14878037 3.30000000 25 1 0.00000000 7.37853644 0.00000000 26 1 1.42000000 7.37853644 0.00000000 27 2 1.42000000 7.37853644 3.30000000 28 2 2.84000000 7.37853644 3.30000000 29 1 2.13000000 8.60829251 0.00000000 30 1 3.55000000 8.60829251 0.00000000 31 2 3.55000000 8.60829251 3.30000000 32 2 4.97000000 8.60829251 3.30000000 33 1 0.00000000 9.83804859 0.00000000 34 1 1.42000000 9.83804859 0.00000000 35 2 1.42000000 9.83804859 3.30000000 36 2 2.84000000 9.83804859 3.30000000 37 1 2.13000000 11.06780466 0.00000000 38 1 3.55000000 11.06780466 0.00000000 39 2 3.55000000 11.06780466 3.30000000 40 2 4.97000000 11.06780466 3.30000000 41 1 0.00000000 12.29756073 0.00000000 42 1 1.42000000 12.29756073 0.00000000 43 2 1.42000000 12.29756073 3.30000000 44 2 2.84000000 12.29756073 3.30000000 45 1 2.13000000 13.52731681 0.00000000 46 1 3.55000000 13.52731681 0.00000000 47 2 3.55000000 13.52731681 3.30000000 48 2 4.97000000 13.52731681 3.30000000 49 1 0.00000000 14.75707288 0.00000000 50 1 1.42000000 14.75707288 0.00000000 51 2 1.42000000 14.75707288 3.30000000 52 2 2.84000000 14.75707288 3.30000000 53 1 2.13000000 15.98682895 0.00000000 54 1 3.55000000 15.98682895 0.00000000 55 2 3.55000000 15.98682895 3.30000000 56 2 4.97000000 15.98682895 3.30000000 57 1 0.00000000 17.21658503 0.00000000 58 1 1.42000000 17.21658503 0.00000000 59 2 1.42000000 17.21658503 3.30000000 60 2 2.84000000 17.21658503 3.30000000 61 1 2.13000000 18.44634110 0.00000000 62 1 3.55000000 18.44634110 0.00000000 63 2 3.55000000 18.44634110 3.30000000 64 2 4.97000000 18.44634110 3.30000000 65 1 4.26000000 0.00000000 0.00000000 66 1 5.68000000 0.00000000 0.00000000 67 2 5.68000000 0.00000000 3.30000000 68 2 7.10000000 0.00000000 3.30000000 69 1 6.39000000 1.22975607 0.00000000 70 1 7.81000000 1.22975607 0.00000000 71 2 7.81000000 1.22975607 3.30000000 72 2 9.23000000 1.22975607 3.30000000 73 1 4.26000000 2.45951215 0.00000000 74 1 5.68000000 2.45951215 0.00000000 75 2 5.68000000 2.45951215 3.30000000 76 2 7.10000000 2.45951215 3.30000000 77 1 6.39000000 3.68926822 0.00000000 78 1 7.81000000 3.68926822 0.00000000 79 2 7.81000000 3.68926822 3.30000000 80 2 9.23000000 3.68926822 3.30000000 81 1 4.26000000 4.91902429 0.00000000 82 1 5.68000000 4.91902429 0.00000000 83 2 5.68000000 4.91902429 3.30000000 84 2 7.10000000 4.91902429 3.30000000 85 1 6.39000000 6.14878037 0.00000000 86 1 7.81000000 6.14878037 0.00000000 87 2 7.81000000 6.14878037 3.30000000 88 2 9.23000000 6.14878037 3.30000000 89 1 4.26000000 7.37853644 0.00000000 90 1 5.68000000 7.37853644 0.00000000 91 2 5.68000000 7.37853644 3.30000000 92 2 7.10000000 7.37853644 3.30000000 93 1 6.39000000 8.60829251 0.00000000 94 1 7.81000000 8.60829251 0.00000000 95 2 7.81000000 8.60829251 3.30000000 96 2 9.23000000 8.60829251 3.30000000 97 1 4.26000000 9.83804859 0.00000000 98 1 5.68000000 9.83804859 0.00000000 99 2 5.68000000 9.83804859 3.30000000 100 2 7.10000000 9.83804859 3.30000000 101 1 6.39000000 11.06780466 0.00000000 102 1 7.81000000 11.06780466 0.00000000 103 2 7.81000000 11.06780466 3.30000000 104 2 9.23000000 11.06780466 3.30000000 105 1 4.26000000 12.29756073 0.00000000 106 1 5.68000000 12.29756073 0.00000000 107 2 5.68000000 12.29756073 3.30000000 108 2 7.10000000 12.29756073 3.30000000 109 1 6.39000000 13.52731681 0.00000000 110 1 7.81000000 13.52731681 0.00000000 111 2 7.81000000 13.52731681 3.30000000 112 2 9.23000000 13.52731681 3.30000000 113 1 4.26000000 14.75707288 0.00000000 114 1 5.68000000 14.75707288 0.00000000 115 2 5.68000000 14.75707288 3.30000000 116 2 7.10000000 14.75707288 3.30000000 117 1 6.39000000 15.98682895 0.00000000 118 1 7.81000000 15.98682895 0.00000000 119 2 7.81000000 15.98682895 3.30000000 120 2 9.23000000 15.98682895 3.30000000 121 1 4.26000000 17.21658503 0.00000000 122 1 5.68000000 17.21658503 0.00000000 123 2 5.68000000 17.21658503 3.30000000 124 2 7.10000000 17.21658503 3.30000000 125 1 6.39000000 18.44634110 0.00000000 126 1 7.81000000 18.44634110 0.00000000 127 2 7.81000000 18.44634110 3.30000000 128 2 9.23000000 18.44634110 3.30000000 129 1 8.52000000 0.00000000 0.00000000 130 1 9.94000000 0.00000000 0.00000000 131 2 9.94000000 0.00000000 3.30000000 132 2 11.36000000 0.00000000 3.30000000 133 1 10.65000000 1.22975607 0.00000000 134 1 12.07000000 1.22975607 0.00000000 135 2 12.07000000 1.22975607 3.30000000 136 2 13.49000000 1.22975607 3.30000000 137 1 8.52000000 2.45951215 0.00000000 138 1 9.94000000 2.45951215 0.00000000 139 2 9.94000000 2.45951215 3.30000000 140 2 11.36000000 2.45951215 3.30000000 141 1 10.65000000 3.68926822 0.00000000 142 1 12.07000000 3.68926822 0.00000000 143 2 12.07000000 3.68926822 3.30000000 144 2 13.49000000 3.68926822 3.30000000 145 1 8.52000000 4.91902429 0.00000000 146 1 9.94000000 4.91902429 0.00000000 147 2 9.94000000 4.91902429 3.30000000 148 2 11.36000000 4.91902429 3.30000000 149 1 10.65000000 6.14878037 0.00000000 150 1 12.07000000 6.14878037 0.00000000 151 2 12.07000000 6.14878037 3.30000000 152 2 13.49000000 6.14878037 3.30000000 153 1 8.52000000 7.37853644 0.00000000 154 1 9.94000000 7.37853644 0.00000000 155 2 9.94000000 7.37853644 3.30000000 156 2 11.36000000 7.37853644 3.30000000 157 1 10.65000000 8.60829251 0.00000000 158 1 12.07000000 8.60829251 0.00000000 159 2 12.07000000 8.60829251 3.30000000 160 2 13.49000000 8.60829251 3.30000000 161 1 8.52000000 9.83804859 0.00000000 162 1 9.94000000 9.83804859 0.00000000 163 2 9.94000000 9.83804859 3.30000000 164 2 11.36000000 9.83804859 3.30000000 165 1 10.65000000 11.06780466 0.00000000 166 1 12.07000000 11.06780466 0.00000000 167 2 12.07000000 11.06780466 3.30000000 168 2 13.49000000 11.06780466 3.30000000 169 1 8.52000000 12.29756073 0.00000000 170 1 9.94000000 12.29756073 0.00000000 171 2 9.94000000 12.29756073 3.30000000 172 2 11.36000000 12.29756073 3.30000000 173 1 10.65000000 13.52731681 0.00000000 174 1 12.07000000 13.52731681 0.00000000 175 2 12.07000000 13.52731681 3.30000000 176 2 13.49000000 13.52731681 3.30000000 177 1 8.52000000 14.75707288 0.00000000 178 1 9.94000000 14.75707288 0.00000000 179 2 9.94000000 14.75707288 3.30000000 180 2 11.36000000 14.75707288 3.30000000 181 1 10.65000000 15.98682895 0.00000000 182 1 12.07000000 15.98682895 0.00000000 183 2 12.07000000 15.98682895 3.30000000 184 2 13.49000000 15.98682895 3.30000000 185 1 8.52000000 17.21658503 0.00000000 186 1 9.94000000 17.21658503 0.00000000 187 2 9.94000000 17.21658503 3.30000000 188 2 11.36000000 17.21658503 3.30000000 189 1 10.65000000 18.44634110 0.00000000 190 1 12.07000000 18.44634110 0.00000000 191 2 12.07000000 18.44634110 3.30000000 192 2 13.49000000 18.44634110 3.30000000 193 1 12.78000000 0.00000000 0.00000000 194 1 14.20000000 0.00000000 0.00000000 195 2 14.20000000 0.00000000 3.30000000 196 2 15.62000000 0.00000000 3.30000000 197 1 14.91000000 1.22975607 0.00000000 198 1 16.33000000 1.22975607 0.00000000 199 2 16.33000000 1.22975607 3.30000000 200 2 17.75000000 1.22975607 3.30000000 201 1 12.78000000 2.45951215 0.00000000 202 1 14.20000000 2.45951215 0.00000000 203 2 14.20000000 2.45951215 3.30000000 204 2 15.62000000 2.45951215 3.30000000 205 1 14.91000000 3.68926822 0.00000000 206 1 16.33000000 3.68926822 0.00000000 207 2 16.33000000 3.68926822 3.30000000 208 2 17.75000000 3.68926822 3.30000000 209 1 12.78000000 4.91902429 0.00000000 210 1 14.20000000 4.91902429 0.00000000 211 2 14.20000000 4.91902429 3.30000000 212 2 15.62000000 4.91902429 3.30000000 213 1 14.91000000 6.14878037 0.00000000 214 1 16.33000000 6.14878037 0.00000000 215 2 16.33000000 6.14878037 3.30000000 216 2 17.75000000 6.14878037 3.30000000 217 1 12.78000000 7.37853644 0.00000000 218 1 14.20000000 7.37853644 0.00000000 219 2 14.20000000 7.37853644 3.30000000 220 2 15.62000000 7.37853644 3.30000000 221 1 14.91000000 8.60829251 0.00000000 222 1 16.33000000 8.60829251 0.00000000 223 2 16.33000000 8.60829251 3.30000000 224 2 17.75000000 8.60829251 3.30000000 225 1 12.78000000 9.83804859 0.00000000 226 1 14.20000000 9.83804859 0.00000000 227 2 14.20000000 9.83804859 3.30000000 228 2 15.62000000 9.83804859 3.30000000 229 1 14.91000000 11.06780466 0.00000000 230 1 16.33000000 11.06780466 0.00000000 231 2 16.33000000 11.06780466 3.30000000 232 2 17.75000000 11.06780466 3.30000000 233 1 12.78000000 12.29756073 0.00000000 234 1 14.20000000 12.29756073 0.00000000 235 2 14.20000000 12.29756073 3.30000000 236 2 15.62000000 12.29756073 3.30000000 237 1 14.91000000 13.52731681 0.00000000 238 1 16.33000000 13.52731681 0.00000000 239 2 16.33000000 13.52731681 3.30000000 240 2 17.75000000 13.52731681 3.30000000 241 1 12.78000000 14.75707288 0.00000000 242 1 14.20000000 14.75707288 0.00000000 243 2 14.20000000 14.75707288 3.30000000 244 2 15.62000000 14.75707288 3.30000000 245 1 14.91000000 15.98682895 0.00000000 246 1 16.33000000 15.98682895 0.00000000 247 2 16.33000000 15.98682895 3.30000000 248 2 17.75000000 15.98682895 3.30000000 249 1 12.78000000 17.21658503 0.00000000 250 1 14.20000000 17.21658503 0.00000000 251 2 14.20000000 17.21658503 3.30000000 252 2 15.62000000 17.21658503 3.30000000 253 1 14.91000000 18.44634110 0.00000000 254 1 16.33000000 18.44634110 0.00000000 255 2 16.33000000 18.44634110 3.30000000 256 2 17.75000000 18.44634110 3.30000000