229
23,7 cage
Al     -0.523000   -3.024000    0.412000
Al      4.644000   -1.998000    1.367000
Al     -1.076000   -0.816000    2.816000
Al     -2.367000    1.503000   -0.637000
O      -1.764000    0.793000    2.298000
O      -1.521000   -1.889000    1.408000
O       3.738000   -2.453000   -0.168000
O       0.718000   -0.713000    2.776000
C      -1.041000   -4.904000    0.552000
H      -0.925000   -5.247000    1.585000
H      -2.061000   -5.125000    0.235000
H      -0.376000   -5.518000   -0.063000
C      -1.824000   -1.335000    4.544000
H      -2.877000   -1.068000    4.672000
H      -1.726000   -2.402000    4.751000
H      -1.276000   -0.807000    5.331000
Al     -0.854000    2.271000    1.841000
O       1.933000   -1.347000   -2.081000
C      -1.442000    3.941000    2.627000
H      -1.670000    3.834000    3.690000
H      -0.670000    4.710000    2.539000
H      -2.335000    4.315000    2.121000
Al      0.867000   -2.757000   -2.354000
O      -0.494000    0.240000   -2.613000
H       0.832000    2.795000    4.740000
C       0.660000    1.716000    4.697000
Al      1.506000    0.911000    3.120000
H      -0.427000    1.566000    4.727000
H       1.050000    1.289000    5.624000
O       0.898000    1.838000    1.711000
O       3.260000    0.662000    3.056000
Al      3.626000    1.665000   -1.209000
C       4.135000    2.976000   -2.560000
H       3.279000    3.251000   -3.184000
H       4.571000    3.890000   -2.156000
H       4.879000    2.532000   -3.228000
Al      1.310000    0.259000   -2.607000
O      -0.838000    2.172000   -0.020000
H      -2.733000   -2.890000   -3.457000
C      -2.844000   -1.803000   -3.391000
Al     -1.607000   -1.085000   -2.066000
H      -3.881000   -1.604000   -3.105000
H      -2.686000   -1.401000   -4.393000
O      -0.547000   -2.350000   -1.288000
Al     -3.062000   -1.456000    0.550000
O      -2.427000   -0.283000   -0.653000
Al      0.965000    2.245000   -0.032000
O       1.819000    1.303000   -1.235000
C       2.121000    0.712000   -4.324000
H       1.827000   -0.028000   -5.075000
H       1.859000    1.698000   -4.711000
H       3.214000    0.675000   -4.261000
Al      1.580000   -2.302000    2.623000
O       1.181000   -2.832000    0.928000
Al      3.711000   -1.571000   -1.758000
O       4.380000    0.056000   -1.430000
C       0.351000   -2.837000   -4.237000
H       1.222000   -2.899000   -4.894000
H      -0.340000   -3.641000   -4.496000
H      -0.153000   -1.900000   -4.502000
C       4.465000   -2.555000   -3.272000
H       3.759000   -3.300000   -3.657000
H       4.663000   -1.868000   -4.100000
H       5.395000   -3.079000   -3.049000
C       6.067000   -3.257000    1.812000
H       7.050000   -2.781000    1.784000
H       5.931000   -3.664000    2.817000
H       6.097000   -4.101000    1.116000
Al      4.519000    1.245000    1.894000
O       3.675000    2.156000    0.541000
H       2.213000   -5.818000    1.532000
C       3.072000   -5.268000    1.136000
Al      2.499000   -3.716000    0.097000
H       3.727000   -5.972000    0.620000
H       3.633000   -4.911000    2.007000
O       1.780000   -4.103000   -1.551000
Al     -1.201000    1.744000   -3.478000
O      -2.616000    2.001000   -2.312000
C       0.012000    3.298000   -3.304000
H       0.426000    3.565000   -4.281000
H      -0.587000    4.151000   -2.968000
H       0.869000    3.202000   -2.631000
H       7.750000    1.768000    0.020000
C       6.838000    1.758000   -0.584000
Al      5.996000   -0.016000   -0.495000
H       7.133000    1.983000   -1.613000
H       6.232000    2.598000   -0.236000
O       5.121000   -0.275000    1.111000
C       6.983000   -1.628000   -1.035000
H       7.269000   -1.550000   -2.088000
H       7.909000   -1.702000   -0.457000
H       6.466000   -2.584000   -0.913000
C       5.888000    2.368000    2.721000
H       5.923000    3.377000    2.295000
H       5.714000    2.479000    3.794000
H       6.884000    1.936000    2.595000
O       3.337000   -1.981000    2.631000
Al      3.812000   -0.831000    4.023000
C       5.752000   -0.806000    4.315000
H       6.374000   -0.659000    3.430000
H       6.003000   -0.004000    5.016000
H       6.072000   -1.744000    4.779000
C       2.610000   -1.131000    5.555000
H       2.835000   -0.396000    6.334000
H       1.534000   -1.083000    5.375000
H       2.816000   -2.117000    5.985000
C       0.835000   -3.652000    3.826000
H       1.409000   -4.581000    3.758000
H       0.821000   -3.347000    4.874000
H      -0.195000   -3.902000    3.548000
Al      3.268000    3.920000    0.940000
C       4.515000    5.215000    0.134000
H       4.164000    5.668000   -0.797000
H       4.726000    6.029000    0.833000
H       5.475000    4.744000   -0.097000
C       2.840000    4.139000    2.855000
H       3.177000    3.320000    3.497000
H       3.314000    5.043000    3.248000
H       1.762000    4.240000    3.016000
Al     -4.095000    2.849000   -2.923000
Al      2.350000   -5.659000   -2.275000
C       1.767000   -5.777000   -4.270000
Al      0.225000   -6.850000   -3.174000
C       1.307000   -7.220000   -1.345000
H       2.294000   -4.825000   -4.406000
H       2.394000   -6.546000   -4.726000
H       0.901000   -5.629000   -4.926000
H       1.629000   -6.761000   -0.402000
H       1.912000   -8.119000   -1.483000
H       0.296000   -7.556000   -1.075000
C       4.271000   -5.944000   -2.152000
H       4.736000   -5.945000   -3.141000
H       4.749000   -5.144000   -1.578000
H       4.524000   -6.889000   -1.666000
C       0.194000   -8.586000   -4.065000
H      -0.462000   -9.290000   -3.545000
H      -0.178000   -8.503000   -5.089000
H       1.186000   -9.041000   -4.114000
C      -1.343000   -5.725000   -2.840000
H      -2.068000   -6.275000   -2.233000
H      -1.140000   -4.792000   -2.308000
H      -1.844000   -5.464000   -3.777000
Al     -5.081000    3.013000    0.259000
C      -4.702000    4.888000    0.680000
H      -5.524000    5.523000    0.338000
H      -4.579000    5.076000    1.750000
H      -3.797000    5.244000    0.179000
C      -1.819000    1.347000   -5.299000
H      -2.577000    0.569000   -5.394000
H      -2.206000    2.245000   -5.793000
H      -0.952000    1.027000   -5.886000
O       1.644000    3.902000   -0.045000
Al      0.868000    5.433000   -0.548000
C       1.821000    6.137000   -2.265000
Al      1.814000    7.825000   -0.882000
C       1.460000    6.787000    0.974000
H       2.299000    5.153000   -2.361000
H       2.639000    6.788000   -2.608000
H       1.038000    6.202000   -3.021000
H       1.015000    7.737000    1.296000
H       2.479000    6.742000    1.363000
H       0.889000    6.069000    1.579000
C       0.211000    8.828000   -1.394000
H       0.165000    9.781000   -0.860000
H       0.214000    9.063000   -2.462000
H      -0.717000    8.292000   -1.183000
C       3.561000    8.674000   -0.691000
H       4.396000    7.975000   -0.630000
H       3.751000    9.348000   -1.530000
H       3.584000    9.288000    0.215000
C      -1.082000    5.447000   -0.688000
H      -1.405000    6.020000   -1.561000
H      -1.507000    4.445000   -0.774000
H      -1.525000    5.919000    0.194000
Al     -3.568000    1.072000    2.186000
C      -3.867000   -2.997000   -0.334000
H      -4.121000   -3.798000    0.362000
H      -4.773000   -2.722000   -0.880000
H      -3.187000   -3.440000   -1.069000
C      -5.785000   -0.795000    4.535000
C      -4.338000    2.067000    3.662000
H      -5.391000    1.866000    3.848000
H      -3.789000    1.869000    4.587000
H      -4.239000    3.136000    3.452000
O      -4.063000   -0.655000    1.831000
Al     -5.189000   -1.616000    2.873000
C      -6.590000    2.021000    1.090000
H      -6.347000    0.958000    1.213000
H      -7.497000    2.055000    0.476000
H      -6.863000    2.416000    2.071000
O      -3.576000    1.941000    0.594000
O      -5.212000    2.764000   -1.529000
Al     -6.390000    1.618000   -2.304000
C      -5.079000    1.464000   -4.127000
H      -4.706000    1.967000   -5.027000
H      -4.543000    0.514000   -4.055000
H      -6.103000    1.217000   -4.442000
C      -3.655000    4.550000   -3.760000
H      -3.300000    5.259000   -3.008000
H      -2.867000    4.452000   -4.512000
H      -4.521000    5.001000   -4.251000
C      -6.234000   -0.194000   -1.562000
H      -7.058000   -0.397000   -0.874000
H      -6.234000   -0.978000   -2.324000
H      -5.299000   -0.280000   -0.996000
C      -8.082000    2.444000   -2.832000
H      -8.689000    1.784000   -3.457000
H      -8.688000    2.704000   -1.960000
H      -7.918000    3.369000   -3.392000
C      -4.254000   -3.452000    3.254000
Al     -6.250000   -3.959000    2.487000
H      -4.215000   -4.508000    2.948000
H      -3.285000   -3.100000    2.876000
H      -4.192000   -3.461000    4.344000
H      -5.006000   -0.249000    5.068000
H      -6.150000   -1.577000    5.206000
H      -6.610000   -0.099000    4.367000
C      -6.785000   -2.070000    1.594000
H      -7.116000   -1.046000    1.819000
H      -6.439000   -2.069000    0.559000
H      -7.750000   -2.596000    1.607000
C      -6.213000   -5.248000    1.015000
H      -5.304000   -5.856000    1.003000
H      -7.054000   -5.938000    1.118000
H      -6.292000   -4.775000    0.035000
C      -7.283000   -4.241000    4.127000
H      -6.714000   -4.807000    4.870000
H      -7.595000   -3.309000    4.602000
H      -8.188000   -4.815000    3.914000
229
23,7 4-coordinate sheet
Al     -2.835000    3.507000   -0.834000
O      -2.785000    0.614000    0.711000
C      -2.838000    3.884000   -2.736000
H      -2.567000    3.051000   -3.384000
H      -3.808000    4.270000   -3.057000
H      -2.110000    4.686000   -2.905000
Al     -2.444000   -0.587000   -0.607000
C      -2.294000    0.310000   -2.324000
H      -2.180000   -0.385000   -3.158000
H      -3.179000    0.920000   -2.537000
H      -1.437000    0.991000   -2.332000
Al     -4.777000    4.726000    0.658000
C      -5.280000    4.713000    2.541000
H      -5.430000    5.749000    2.862000
H      -6.223000    4.189000    2.715000
H      -4.528000    4.281000    3.202000
C      -5.795000    5.623000   -0.767000
H      -5.215000    6.490000   -1.099000
H      -5.967000    5.017000   -1.663000
H      -6.773000    5.985000   -0.443000
H      -1.948000    1.915000    3.786000
C      -1.657000    2.586000    2.976000
Al     -1.425000    1.698000    1.269000
H      -0.713000    3.058000    3.265000
H      -2.392000    3.395000    2.916000
O      -1.337000    2.793000   -0.143000
Al      2.918000    4.174000    0.936000
O       0.040000    0.657000    1.131000
O      -0.210000    5.394000   -0.169000
Al      0.208000    3.684000   -0.526000
C       0.804000    3.217000   -2.321000
H       1.781000    3.644000   -2.558000
H       0.900000    2.128000   -2.404000
H       0.109000    3.534000   -3.102000
Al     -1.752000    6.152000    0.595000
O      -3.038000    4.912000    0.239000
C      -1.526000    6.267000    2.549000
H      -1.235000    7.267000    2.878000
H      -2.447000    6.008000    3.081000
H      -0.754000    5.577000    2.905000
O      -4.443000    2.783000   -0.074000
Al     -4.453000    1.226000    0.986000
C      -5.005000    1.331000    2.832000
H      -4.322000    1.969000    3.395000
H      -6.010000    1.736000    2.953000
H      -4.983000    0.341000    3.292000
Al     -6.036000    2.233000   -1.010000
C      -5.911000    2.269000   -2.953000
H      -6.144000    3.270000   -3.324000
H      -4.929000    2.004000   -3.347000
H      -6.637000    1.587000   -3.403000
C      -7.526000    2.890000    0.096000
H      -8.468000    2.792000   -0.447000
H      -7.646000    2.344000    1.039000
H      -7.439000    3.942000    0.365000
Al      1.654000    1.466000    1.335000
O       1.407000    3.135000    0.727000
C       2.275000    1.317000    3.169000
H       1.823000    2.097000    3.788000
H       1.994000    0.354000    3.607000
H       3.357000    1.405000    3.269000
O      -1.107000   -1.617000   -0.025000
Al     -0.093000   -1.117000    1.381000
C      -0.635000   -1.678000    3.158000
H      -1.127000   -2.653000    3.162000
H       0.230000   -1.738000    3.823000
H      -1.336000   -0.966000    3.602000
Al     -1.063000   -3.255000   -0.783000
C      -1.392000   -3.264000   -2.694000
H      -2.409000   -2.892000   -2.859000
H      -0.713000   -2.645000   -3.279000
H      -1.362000   -4.277000   -3.099000
O      -5.670000    0.473000   -0.236000
Al     -5.347000   -1.167000   -1.183000
C      -5.529000   -1.139000   -3.111000
H      -5.333000   -2.137000   -3.515000
H      -6.550000   -0.872000   -3.397000
H      -4.851000   -0.448000   -3.612000
O      -3.816000   -1.747000   -0.472000
Al     -3.765000   -3.182000    0.710000
C      -3.964000   -2.454000    2.509000
H      -3.680000   -3.145000    3.306000
H      -3.385000   -1.538000    2.650000
H      -5.018000   -2.196000    2.671000
O      -6.665000   -1.902000   -0.228000
Al     -6.872000   -3.624000    0.216000
O      -2.296000   -4.083000    0.242000
Al      1.593000   -5.344000   -1.042000
O       0.248000   -4.325000    0.019000
Al      1.705000   -3.574000    1.012000
C       1.894000   -4.193000    2.832000
H       2.159000   -5.250000    2.878000
H       2.680000   -3.635000    3.347000
H       0.971000   -4.057000    3.398000
O       1.468000   -1.804000    0.805000
Al      2.368000   -0.980000   -0.537000
C       1.490000   -1.178000   -2.257000
H       0.494000   -0.726000   -2.254000
H       2.058000   -0.718000   -3.068000
H       1.368000   -2.234000   -2.515000
O       2.673000    0.682000    0.057000
Al      4.002000    1.600000   -0.755000
C       4.057000    1.456000   -2.683000
H       3.159000    1.830000   -3.177000
H       4.918000    1.981000   -3.101000
H       4.174000    0.401000   -2.951000
O       5.559000    0.887000    0.050000
Al      5.220000   -0.851000    0.726000
O       4.034000   -1.632000   -0.395000
Al      4.237000   -3.328000   -1.063000
C       4.361000   -3.400000   -3.003000
H       5.174000   -2.751000   -3.345000
H       4.593000   -4.406000   -3.362000
H       3.452000   -3.072000   -3.511000
C       4.802000   -1.059000    2.607000
H       3.724000   -1.130000    2.772000
H       5.254000   -1.979000    2.990000
H       5.178000   -0.237000    3.220000
Al      7.285000    0.261000   -0.708000
C       8.796000    0.989000    0.304000
H       9.522000    0.181000    0.444000
H       9.308000    1.795000   -0.224000
H       8.551000    1.356000    1.304000
C       7.240000    0.189000   -2.660000
H       8.161000   -0.278000   -3.020000
H       6.407000   -0.406000   -3.043000
H       7.182000    1.175000   -3.127000
O       2.770000   -4.091000   -0.342000
C       1.355000   -5.257000   -2.976000
H       0.539000   -5.905000   -3.307000
H       1.171000   -4.262000   -3.382000
H       2.267000   -5.631000   -3.452000
C       1.878000   -7.007000   -0.041000
H       2.951000   -7.184000    0.086000
H       1.448000   -6.990000    0.967000
H       1.465000   -7.880000   -0.549000
O       4.158000    3.028000    0.311000
C       3.266000    4.803000    2.743000
H       3.600000    4.008000    3.413000
H       4.031000    5.584000    2.752000
H       2.363000    5.239000    3.181000
Al      1.158000    6.566000   -0.247000
C       1.370000    7.184000   -2.205000
H       0.928000    6.456000   -2.891000
H       0.590000    7.937000   -2.018000
H       2.094000    7.777000   -2.780000
Al     -7.460000   -0.363000    0.364000
C      -8.760000    0.128000   -1.022000
H      -9.233000   -0.793000   -1.381000
H      -9.553000    0.778000   -0.651000
H      -8.333000    0.613000   -1.906000
C      -7.815000   -0.362000    2.279000
H      -8.083000    0.618000    2.676000
H      -8.676000   -1.018000    2.447000
H      -6.995000   -0.755000    2.882000
C      -2.154000    7.727000   -0.528000
H      -1.408000    8.526000   -0.502000
H      -2.278000    7.429000   -1.575000
H      -3.099000    8.188000   -0.222000
C       1.176000    7.929000    1.144000
H       1.313000    7.470000    2.127000
H       2.011000    8.618000    0.990000
H       0.263000    8.526000    1.193000
Al      5.871000    2.648000    0.915000
C       7.035000    3.664000   -0.294000
H       6.625000    4.673000   -0.411000
H       8.060000    3.769000    0.063000
H       7.085000    3.239000   -1.304000
C       6.143000    2.492000    2.843000
H       6.938000    1.778000    3.074000
H       6.461000    3.459000    3.242000
H       5.260000    2.191000    3.408000
Al     -1.221000   -5.482000    0.758000
C      -1.440000   -6.911000   -0.568000
H      -0.905000   -7.825000   -0.307000
H      -2.500000   -7.173000   -0.653000
H      -1.119000   -6.620000   -1.575000
C      -1.149000   -5.788000    2.683000
H      -1.987000   -6.436000    2.956000
H      -0.238000   -6.304000    2.994000
H      -1.236000   -4.882000    3.285000
O      -5.150000   -4.185000    0.227000
Al     -5.368000   -5.517000   -0.988000
C      -8.003000   -3.906000    1.773000
H      -9.015000   -3.519000    1.627000
H      -8.097000   -4.972000    1.998000
H      -7.597000   -3.421000    2.664000
C      -7.431000   -4.627000   -1.504000
H      -7.400000   -5.660000   -1.876000
H      -8.494000   -4.540000   -1.244000
H      -7.268000   -3.982000   -2.372000
C      -5.702000   -7.243000   -0.134000
H      -6.531000   -7.183000    0.577000
H      -5.944000   -8.027000   -0.856000
H      -4.829000   -7.587000    0.428000
C      -4.390000   -5.235000   -2.652000
H      -3.350000   -5.555000   -2.545000
H      -4.819000   -5.803000   -3.482000
H      -4.373000   -4.183000   -2.948000
O       2.597000    5.442000   -0.265000
Al      3.385000    6.272000   -1.690000
C       3.835000    5.151000   -3.227000
H       3.009000    4.996000   -3.924000
H       4.662000    5.596000   -3.787000
H       4.168000    4.163000   -2.900000
C       4.556000    7.723000   -1.093000
H       4.114000    8.314000   -0.286000
H       5.505000    7.331000   -0.717000
H       4.802000    8.410000   -1.907000
O       6.809000   -1.339000    0.068000
Al      7.308000   -3.010000   -0.291000
C       8.443000   -3.161000   -1.864000
H       9.314000   -2.501000   -1.804000
H       8.819000   -4.179000   -1.995000
H       7.903000   -2.894000   -2.776000
C       8.061000   -3.844000    1.447000
H       8.342000   -4.851000    1.781000
H       9.047000   -3.437000    1.185000
H       7.730000   -3.293000    2.331000
O       5.710000   -3.885000   -0.240000
Al      6.267000   -5.151000    0.944000
C       6.944000   -6.741000    0.027000
H       7.496000   -7.404000    0.699000
H       6.127000   -7.330000   -0.398000
H       7.611000   -6.481000   -0.799000
C       5.304000   -5.205000    2.640000
H       4.450000   -5.885000    2.584000
H       5.948000   -5.573000    3.443000
H       4.923000   -4.230000    2.947000
148
16,4 chiral 3.1 nanotube
Al      4.497000    1.389000    1.631000
Al      3.743000   -1.692000    0.833000
Al      5.956000   -1.387000   -1.366000
Al      5.166000    1.812000   -1.513000
Al      2.371000    2.282000   -0.427000
Al      3.124000   -0.428000   -2.048000
Al      1.682000    0.254000    1.997000
Al      0.979000   -1.903000   -0.370000
Al      0.299000    0.735000   -2.109000
Al     -0.421000    2.117000    0.749000
Al     -1.096000   -0.937000    1.672000
Al     -1.812000   -1.417000   -1.480000
Al     -2.496000    1.760000   -1.519000
Al     -3.178000    1.335000    1.666000
Al     -3.890000   -1.711000    0.800000
Al     -4.631000   -0.372000   -2.074000
O       4.818000    0.011000   -1.716000
O       5.491000   -1.640000    0.435000
O       4.081000    2.037000   -0.018000
O       2.703000   -1.534000   -0.656000
O       3.393000   -0.104000    1.631000
O       0.621000   -1.008000    1.178000
O       1.997000    0.959000   -1.622000
O       1.298000    1.689000    0.950000
O      -0.085000   -0.938000   -1.504000
O      -0.787000    1.690000   -0.980000
O      -2.170000   -1.547000    0.309000
O      -1.463000    0.850000    1.577000
O      -2.876000    0.020000   -1.914000
O      -4.852000   -1.520000   -0.681000
O      -4.122000   -0.199000    1.807000
O      -3.515000    2.023000   -0.000000
C       5.320000   -3.006000   -2.299000
H       5.441000   -2.934000   -3.383000
H       5.928000   -3.857000   -1.972000
H       4.277000   -3.274000   -2.106000
C       3.158000   -3.243000    1.873000
H       3.213000   -4.157000    1.277000
H       3.782000   -3.392000    2.756000
H       2.127000   -3.149000    2.228000
C       3.850000    2.624000    3.024000
H       3.928000    2.195000    4.027000
H       4.478000    3.521000    3.016000
H       2.819000    2.964000    2.894000
C       4.332000    2.724000   -3.063000
H       4.434000    3.811000   -2.985000
H       4.903000    2.428000   -3.951000
H       3.283000    2.513000   -3.284000
C       2.623000   -1.152000   -3.789000
H       1.584000   -1.495000   -3.828000
H       2.748000   -0.404000   -4.577000
H       3.252000   -2.006000   -4.045000
C       1.751000    4.046000   -0.990000
H       2.335000    4.391000   -1.846000
H       0.698000    4.067000   -1.291000
H       1.875000    4.784000   -0.193000
C       1.133000    0.443000    3.860000
H       1.671000    1.264000    4.336000
H       0.064000    0.645000    3.981000
H       1.356000   -0.465000    4.428000
C       0.412000   -3.769000   -0.344000
H       0.947000   -4.324000    0.429000
H      -0.657000   -3.898000   -0.151000
H       0.629000   -4.257000   -1.298000
C      -0.230000    1.056000   -3.956000
H       0.490000    0.604000   -4.641000
H      -1.210000    0.633000   -4.198000
H      -0.272000    2.124000   -4.185000
C      -1.011000    3.896000    1.299000
H      -1.930000    4.226000    0.804000
H      -1.180000    3.954000    2.377000
H      -0.244000    4.634000    1.055000
C      -1.576000   -1.846000    3.330000
H      -0.742000   -1.805000    4.034000
H      -2.440000   -1.414000    3.842000
H      -1.794000   -2.903000    3.153000
C      -2.210000   -2.943000   -2.623000
H      -3.147000   -3.462000   -2.421000
H      -2.225000   -2.630000   -3.672000
H      -1.413000   -3.683000   -2.527000
C      -2.847000    3.049000   -2.942000
H      -2.824000    2.542000   -3.910000
H      -3.781000    3.608000   -2.892000
H      -2.038000    3.786000   -2.958000
C      -3.728000    2.611000    3.049000
H      -3.778000    3.646000    2.692000
H      -4.688000    2.395000    3.526000
H      -2.976000    2.613000    3.845000
C      -4.496000   -3.203000    1.922000
H      -3.854000   -4.072000    1.750000
H      -4.437000   -3.032000    3.006000
H      -5.518000   -3.515000    1.693000
C      -5.160000   -1.677000   -3.555000
H      -5.124000   -2.772000   -3.658000
H      -6.064000   -1.337000   -4.062000
H      -4.311000   -1.404000   -4.198000
C      -5.804000    1.212000   -2.115000
H      -6.417000    1.228000   -1.210000
H      -5.303000    2.176000   -2.254000
H      -6.507000    1.142000   -2.949000
C       7.844000   -0.882000   -1.594000
H       8.441000   -1.773000   -1.812000
H       7.936000   -0.217000   -2.458000
H       8.326000   -0.374000   -0.758000
C       6.450000    1.020000    1.802000
H       6.932000    1.999000    1.705000
H       6.734000    0.680000    2.804000
H       6.974000    0.452000    1.017000
C       7.020000    2.384000   -1.204000
H       7.506000    2.523000   -2.175000
H       6.997000    3.370000   -0.726000
H       7.674000    1.750000   -0.611000
Al      6.640000   -1.563000    1.798000
Al     -5.886000   -2.717000   -1.585000
Al     -4.913000    3.144000    0.025000
Al     -5.327000   -0.516000    3.092000
C       8.509000   -2.015000    1.485000
H       8.880000   -2.627000    2.311000
H       8.655000   -2.571000    0.557000
H       9.142000   -1.127000    1.427000
C       5.827000   -1.728000    3.570000
H       5.723000   -2.774000    3.867000
H       6.485000   -1.257000    4.305000
H       4.844000   -1.259000    3.660000
C      -5.294000   -4.572000   -1.407000
H      -5.155000   -5.069000   -2.371000
H      -4.352000   -4.668000   -0.861000
H      -6.046000   -5.148000   -0.862000
C      -7.759000   -2.166000   -1.668000
H      -8.266000   -2.592000   -2.538000
H      -8.313000   -2.496000   -0.785000
H      -7.864000   -1.079000   -1.730000
C      -4.739000   -0.278000    4.925000
H      -5.492000    0.252000    5.513000
H      -4.579000   -1.246000    5.408000
H      -3.804000    0.280000    4.991000
C      -7.082000   -0.991000    2.405000
H      -7.429000   -1.933000    2.838000
H      -7.831000   -0.231000    2.643000
H      -7.063000   -1.106000    1.318000
C      -4.683000    4.927000   -0.701000
H      -5.325000    5.090000   -1.570000
H      -4.972000    5.666000    0.050000
H      -3.655000    5.132000   -1.004000
C      -6.439000    2.517000    1.066000
H      -6.479000    2.998000    2.046000
H      -7.375000    2.751000    0.554000
H      -6.417000    1.433000    1.212000
148
16,4 armchair 2,2 nanotube
Al      1.417000   -1.477000    3.812000
Al     -1.417000    1.477000    3.812000
Al      1.178000    1.441000    5.386000
Al     -1.178000   -1.441000    5.386000
O      -0.401000   -1.663000    3.751000
O       0.401000    1.663000    3.751000
O       1.787000   -0.233000    5.053000
O      -1.787000    0.233000    5.053000
C      -2.509000    3.058000    4.150000
C       2.509000   -3.058000    4.150000
H      -2.994000    2.983000    5.129000
H       2.994000   -2.983000    5.129000
H      -1.925000    3.981000    4.156000
H       1.925000   -3.981000    4.156000
Al      1.178000   -1.552000    0.765000
Al      1.258000   -1.490000   -2.338000
Al      1.441000   -1.178000   -5.386000
Al     -1.178000    1.552000    0.765000
Al     -1.258000    1.490000   -2.338000
Al     -1.441000    1.178000   -5.386000
Al      1.490000    1.257000    2.338000
Al      1.552000    1.178000   -0.765000
Al      1.477000    1.417000   -3.812000
Al     -1.490000   -1.257000    2.338000
Al     -1.552000   -1.178000   -0.765000
Al     -1.477000   -1.417000   -3.812000
O      -0.648000   -1.526000    0.757000
O      -0.570000   -1.585000   -2.236000
O      -0.233000   -1.786000   -5.053000
O       0.648000    1.526000    0.757000
O       0.570000    1.585000   -2.236000
O       0.233000    1.786000   -5.053000
O       1.585000   -0.570000    2.236000
O       1.526000   -0.648000   -0.757000
O       1.664000   -0.401000   -3.751000
O      -1.585000    0.570000    2.236000
O      -1.526000    0.648000   -0.757000
O      -1.664000    0.401000   -3.751000
C      -1.725000    3.415000    0.906000
C      -2.277000    3.145000   -2.524000
C       1.725000   -3.415000    0.906000
C       2.277000   -3.145000   -2.524000
H      -2.801000    3.592000    0.850000
H      -2.534000    3.567000   -1.554000
H       2.801000   -3.592000    0.850000
H       2.534000   -3.567000   -1.554000
H      -1.377000    3.837000    1.852000
H      -1.765000    3.928000   -3.085000
H       1.377000   -3.837000    1.852000
H       1.765000   -3.928000   -3.085000
H      -3.300000    3.178000    3.407000
H      -1.246000    4.001000    0.118000
H      -3.223000    2.939000   -3.031000
H       3.300000   -3.178000    3.407000
H       1.246000   -4.001000    0.118000
H       3.223000   -2.939000   -3.031000
C      -3.145000   -2.277000    2.524000
C      -3.415000   -1.725000   -0.906000
C      -3.057000   -2.510000   -4.150000
C       3.145000    2.277000    2.524000
C       3.415000    1.725000   -0.906000
C       3.057000    2.510000   -4.150000
H      -2.939000   -3.223000    3.031000
H      -3.592000   -2.801000   -0.850000
H      -3.178000   -3.301000   -3.407000
H       2.939000    3.223000    3.031000
H       3.592000    2.801000   -0.850000
H       3.178000    3.301000   -3.407000
H      -3.929000   -1.765000    3.085000
H      -4.001000   -1.246000   -0.118000
H      -3.980000   -1.925000   -4.156000
H       3.929000    1.765000    3.085000
H       4.001000    1.246000   -0.118000
H       3.980000    1.925000   -4.156000
H      -3.567000   -2.534000    1.553000
H      -3.837000   -1.377000   -1.852000
H      -2.982000   -2.995000   -5.129000
H       3.567000    2.534000    1.553000
H       3.837000    1.377000   -1.852000
H       2.982000    2.995000   -5.129000
C       3.014000    2.288000    5.793000
H       2.705000    3.218000    5.295000
H       3.078000    2.522000    6.857000
H       4.039000    2.191000    5.409000
C      -0.019000    1.964000    6.843000
H      -0.836000    2.608000    6.503000
H      -0.486000    1.105000    7.329000
H       0.528000    2.517000    7.610000
C       0.019000   -1.964000    6.843000
H       0.486000   -1.105000    7.329000
H      -0.528000   -2.517000    7.610000
H       0.836000   -2.608000    6.503000
C      -3.014000   -2.288000    5.793000
H      -2.705000   -3.218000    5.295000
H      -3.078000   -2.522000    6.857000
H      -4.039000   -2.191000    5.409000
C       1.964000    0.019000   -6.843000
H       1.105000    0.485000   -7.329000
H       2.607000    0.837000   -6.503000
H       2.518000   -0.528000   -7.610000
C       2.288000   -3.014000   -5.793000
H       2.522000   -3.078000   -6.857000
H       3.218000   -2.705000   -5.295000
H       2.191000   -4.039000   -5.409000
C      -1.964000   -0.019000   -6.843000
H      -1.105000   -0.485000   -7.329000
H      -2.607000   -0.837000   -6.503000
H      -2.518000    0.528000   -7.610000
C      -2.288000    3.014000   -5.793000
H      -2.522000    3.078000   -6.857000
H      -3.218000    2.705000   -5.295000
H      -2.191000    4.039000   -5.409000
Al      0.033000   -3.458000   -5.732000
Al     -0.033000    3.458000   -5.732000
Al     -3.458000   -0.033000    5.732000
Al      3.458000    0.033000    5.732000
C       4.851000   -0.408000    4.426000
H       5.653000    0.335000    4.386000
H       5.315000   -1.362000    4.689000
H       4.456000   -0.512000    3.411000
C       3.579000   -0.317000    7.650000
H       3.599000   -1.391000    7.852000
H       4.481000    0.112000    8.094000
H       2.720000    0.095000    8.187000
C      -3.579000    0.317000    7.650000
H      -3.599000    1.391000    7.852000
H      -4.481000   -0.112000    8.094000
H      -2.720000   -0.095000    8.187000
C      -4.851000    0.408000    4.426000
H      -5.653000   -0.335000    4.386000
H      -5.315000    1.362000    4.689000
H      -4.456000    0.512000    3.411000
C      -0.317000   -3.579000   -7.650000
H       0.112000   -4.480000   -8.095000
H      -1.391000   -3.598000   -7.852000
H       0.095000   -2.719000   -8.187000
C      -0.408000   -4.851000   -4.426000
H      -1.362000   -5.315000   -4.690000
H       0.335000   -5.653000   -4.386000
H      -0.512000   -4.456000   -3.411000
C       0.408000    4.851000   -4.426000
H       1.362000    5.315000   -4.690000
H      -0.335000    5.653000   -4.386000
H       0.512000    4.456000   -3.411000
C       0.317000    3.579000   -7.650000
H      -0.112000    4.480000   -8.095000
H       1.391000    3.598000   -7.852000
H      -0.095000    2.719000   -8.187000
148
16,4 zigzag 4,0 nanotube
O       0.020000    2.062000   -3.201000
O      -0.020000   -2.062000   -3.201000
O      -2.062000    0.020000   -3.201000
O       2.062000   -0.020000   -3.201000
Al     -1.608000    1.609000   -2.530000
Al      1.608000   -1.609000   -2.530000
Al     -1.609000   -1.608000   -2.530000
Al      1.609000    1.608000   -2.530000
H       4.433000    0.815000   -1.324000
H      -4.433000   -0.815000   -1.324000
H      -0.815000    4.433000   -1.324000
H       0.815000   -4.433000   -1.324000
Al     -0.000000    2.323000   -0.039000
Al      0.002000    2.358000    4.898000
Al      0.000000   -2.323000   -0.039000
Al     -0.002000   -2.358000    4.898000
Al     -2.323000   -0.000000   -0.039000
Al     -2.358000    0.002000    4.898000
Al      2.323000    0.000000   -0.039000
Al      2.358000   -0.002000    4.898000
O      -1.396000    1.397000   -0.793000
O      -1.399000    1.401000    4.170000
O       1.396000   -1.397000   -0.793000
O       1.399000   -1.401000    4.170000
O      -1.397000   -1.396000   -0.793000
O      -1.401000   -1.399000    4.170000
O       1.397000    1.396000   -0.793000
O       1.401000    1.399000    4.170000
O       0.001000    1.950000    1.680000
O      -0.001000   -1.950000    1.680000
O      -1.950000    0.001000    1.680000
O       1.950000   -0.001000    1.680000
Al     -1.634000    1.636000    2.439000
Al      1.634000   -1.636000    2.439000
Al     -1.636000   -1.634000    2.439000
Al      1.636000    1.634000    2.439000
C       4.172000   -0.033000   -0.683000
C       4.103000    0.002000    3.917000
C      -4.172000    0.033000   -0.683000
C      -4.103000   -0.002000    3.917000
C       0.033000    4.172000   -0.683000
C      -0.002000    4.103000    3.917000
C      -0.033000   -4.172000   -0.683000
C       0.002000   -4.103000    3.917000
H       4.405000   -0.947000   -1.240000
H       4.920000    0.028000    4.645000
H      -4.405000    0.947000   -1.240000
H      -4.920000   -0.028000    4.645000
H       0.947000    4.405000   -1.240000
H      -0.028000    4.920000    4.645000
H      -0.947000   -4.405000   -1.240000
H       0.028000   -4.920000    4.645000
H      -4.857000    0.006000    0.169000
H      -4.255000   -0.865000    3.258000
H       4.857000   -0.006000    0.169000
H       4.255000    0.865000    3.258000
H       0.006000    4.857000    0.169000
H      -0.865000    4.255000    3.258000
H      -0.006000   -4.857000    0.169000
H       0.865000   -4.255000    3.258000
H       4.272000   -0.890000    3.302000
H      -4.272000    0.890000    3.302000
H       0.890000    4.272000    3.302000
H      -0.890000   -4.272000    3.302000
C       2.921000    2.919000    1.686000
C      -2.921000   -2.919000    1.686000
C      -2.919000    2.921000    1.686000
C       2.919000   -2.921000    1.686000
H       3.458000    3.433000    2.487000
H      -2.441000   -3.698000    1.084000
H      -3.433000    3.458000    2.487000
H       3.433000   -3.458000    2.487000
H      -2.443000    3.682000    1.057000
H       2.443000   -3.682000    1.057000
H       3.682000    2.443000    1.057000
H      -3.458000   -3.433000    2.487000
H       2.441000    3.698000    1.084000
H      -3.682000   -2.443000    1.057000
H      -3.698000    2.441000    1.084000
H       3.698000   -2.441000    1.084000
C       0.017000    2.466000    6.854000
H       0.757000    3.212000    7.162000
H      -0.955000    2.806000    7.223000
H       0.259000    1.541000    7.376000
C       2.466000   -0.017000    6.854000
H       3.212000   -0.757000    7.162000
H       2.806000    0.955000    7.223000
H       1.541000   -0.259000    7.376000
C      -2.466000    0.017000    6.854000
H      -3.212000    0.757000    7.162000
H      -2.806000   -0.955000    7.223000
H      -1.541000    0.259000    7.376000
C      -0.017000   -2.466000    6.854000
H      -0.757000   -3.212000    7.162000
H       0.955000   -2.806000    7.223000
H      -0.259000   -1.541000    7.376000
C       3.116000    2.725000   -3.191000
H       3.450000    3.179000   -2.250000
H       4.072000    2.374000   -3.613000
H       2.778000    3.535000   -3.840000
C       2.725000   -3.116000   -3.191000
H       2.374000   -4.072000   -3.613000
H       3.535000   -2.778000   -3.840000
H       3.179000   -3.450000   -2.250000
C      -3.116000   -2.725000   -3.191000
H      -3.450000   -3.179000   -2.250000
H      -4.072000   -2.374000   -3.613000
H      -2.778000   -3.535000   -3.840000
C      -2.725000    3.116000   -3.191000
H      -2.374000    4.072000   -3.613000
H      -3.535000    2.778000   -3.840000
H      -3.179000    3.450000   -2.250000
Al      0.547000   -3.196000   -4.500000
Al      3.196000    0.547000   -4.500000
Al     -0.547000    3.196000   -4.500000
Al     -3.196000   -0.547000   -4.500000
C       0.217000    4.981000   -4.469000
H      -0.487000    5.716000   -4.868000
H       0.499000    5.301000   -3.465000
H       1.108000    5.031000   -5.101000
C      -1.350000    2.261000   -6.017000
H      -2.405000    2.519000   -6.146000
H      -0.846000    2.495000   -6.957000
H      -1.279000    1.176000   -5.887000
C      -4.981000    0.217000   -4.469000
H      -5.716000   -0.487000   -4.868000
H      -5.301000    0.499000   -3.465000
H      -5.031000    1.108000   -5.101000
C      -2.261000   -1.350000   -6.017000
H      -2.519000   -2.405000   -6.146000
H      -2.495000   -0.846000   -6.957000
H      -1.176000   -1.279000   -5.887000
C      -0.217000   -4.981000   -4.469000
H       0.487000   -5.716000   -4.868000
H      -0.499000   -5.301000   -3.465000
H      -1.108000   -5.031000   -5.101000
C       1.350000   -2.261000   -6.017000
H       2.405000   -2.519000   -6.146000
H       0.846000   -2.495000   -6.957000
H       1.279000   -1.176000   -5.887000
C       4.981000   -0.217000   -4.469000
H       5.031000   -1.108000   -5.101000
H       5.716000    0.487000   -4.868000
H       5.301000   -0.499000   -3.465000
C       2.261000    1.350000   -6.017000
H       2.519000    2.405000   -6.146000
H       2.495000    0.846000   -6.957000
H       1.176000    1.279000   -5.887000
