LAMMPS description 88 atoms 30 bonds 60 angles 65 dihedrals 11 atom types 13 bond types 25 angle types 25 dihedral types 0 100.000000 xlo xhi 0 100.000000 ylo yhi 0 100.000000 zlo zhi 0.0000000 0.0000000 0.0000000 xy xz yz Masses 1 12.010000 2 12.010000 3 12.010000 4 12.010000 5 16.000000 6 16.000000 7 12.010000 8 12.010000 9 12.010000 10 1.0100000 11 1.0100000 Atoms 1 1 1 0.000000 50.993000 53.067000 57.215000 2 1 1 0.000000 50.569805 52.539742 55.965956 3 1 1 0.000000 49.429257 51.581980 55.930465 4 1 1 0.000000 48.769836 51.159969 57.126524 5 1 1 0.000000 49.209476 51.707847 58.424381 6 1 1 0.000000 50.285230 52.648674 58.457393 7 1 1 0.000000 50.199248 53.832250 59.348965 8 1 1 0.000000 50.819118 54.983131 58.652905 9 1 1 0.000000 51.294113 54.522100 57.324286 10 1 1 0.000000 51.194937 55.393766 56.195809 11 1 1 0.000000 50.755339 54.845967 54.898129 12 1 1 0.000000 50.438375 53.455772 54.798251 13 1 1 0.000000 49.249595 53.027205 54.019465 14 1 1 0.000000 48.629591 51.876131 54.715085 15 1 1 0.000000 47.202465 51.736235 54.739822 16 1 1 0.000000 46.521625 51.304750 55.984656 17 1 1 0.000000 47.293625 51.021551 57.159263 18 1 1 0.000000 46.821271 51.488415 58.486944 19 1 1 0.000000 48.008728 51.912722 59.270353 20 1 1 0.000000 47.926571 53.055611 60.132290 21 1 1 0.000000 49.043393 54.030421 60.174557 22 1 1 0.000000 48.464201 55.387595 60.325326 23 1 1 0.000000 49.064481 56.501897 59.651570 24 1 1 0.000000 50.264394 56.297031 58.804014 25 1 1 0.000000 50.156811 57.195648 57.629187 26 1 1 0.000000 50.614773 56.750374 56.345497 27 1 1 0.000000 49.811458 57.039168 55.130934 28 1 1 0.000000 49.899666 55.859204 54.234395 29 1 1 0.000000 48.751883 55.444808 53.481582 30 1 1 0.000000 48.423546 54.002955 53.369516 31 1 1 0.000000 46.947194 53.863309 53.400952 32 1 1 0.000000 46.346890 52.748978 54.074640 33 1 1 0.000000 45.140162 52.950867 54.913840 34 1 1 0.000000 45.248922 52.059398 56.095089 35 1 1 0.000000 44.792490 52.510497 57.378043 36 1 1 0.000000 45.592615 52.221104 58.593838 37 1 1 0.000000 45.507537 53.401597 59.488992 38 1 1 0.000000 46.654972 53.811633 60.245996 39 1 1 0.000000 46.987278 55.252763 60.366860 40 1 1 0.000000 46.160370 56.236225 59.729376 41 1 1 0.000000 46.781575 57.389373 59.032171 42 1 1 0.000000 48.209365 57.521329 58.995257 43 1 1 0.000000 48.883745 57.948943 57.744555 44 1 1 0.000000 48.107518 58.227994 56.570927 45 1 1 0.000000 48.578757 57.764356 55.242360 46 1 1 0.000000 47.392473 57.336893 54.459976 47 1 1 0.000000 47.477701 56.196711 53.593649 48 1 1 0.000000 46.362261 55.219443 53.542256 49 1 1 0.000000 45.197728 55.415563 54.356357 50 1 1 0.000000 44.576521 54.262412 55.053555 51 1 1 0.000000 44.104680 54.728807 56.380595 52 1 1 0.000000 44.211531 53.868041 57.522926 53 1 1 0.000000 44.653505 54.418835 58.827717 54 1 1 0.000000 44.973780 55.811891 58.946345 55 1 1 0.000000 44.862217 56.702507 57.764957 56 1 1 0.000000 44.434942 56.170031 56.503560 57 1 1 0.000000 45.109886 56.594779 55.252417 58 1 1 0.000000 46.188801 57.538474 55.303759 59 1 1 0.000000 46.630775 58.089268 56.608549 60 1 1 0.000000 45.978985 57.677863 57.818164 61 1 2 -0.030000 51.947738 52.111468 56.487318 62 1 3 0.000000 52.010641 50.713604 57.054807 63 1 4 -0.115000 52.128652 50.524192 58.436923 64 1 4 -0.115000 52.186296 49.228243 58.963376 65 1 4 -0.115000 52.127284 48.121782 58.107674 66 1 4 -0.115000 52.011395 48.311172 56.725398 67 1 5 -0.500000 54.051558 52.709898 53.163782 68 1 6 -0.170000 56.150305 53.550854 52.968633 69 1 4 -0.115000 51.953717 49.607125 56.198847 70 1 7 -0.120000 53.122917 52.803934 55.796322 71 1 7 -0.120000 54.367013 51.915827 55.756403 72 1 7 -0.120000 55.533755 52.605075 55.048038 73 1 8 0.700000 55.162703 52.959003 53.627882 74 1 9 -0.180000 55.894939 53.918880 51.631655 75 1 10 0.115000 52.175421 51.377499 59.097498 76 1 10 0.115000 52.277271 49.081887 60.029686 77 1 10 0.115000 52.172581 47.122024 58.514047 78 1 10 0.115000 51.967494 47.457062 56.065688 79 1 10 0.115000 51.865496 49.752741 55.132344 80 1 11 0.060000 52.837893 53.077292 54.780413 81 1 11 0.060000 53.355524 53.733385 56.316240 82 1 11 0.060000 54.132706 50.982045 55.245377 83 1 11 0.060000 54.661675 51.652851 56.772374 84 1 11 0.060000 55.814703 53.514990 55.578465 85 1 11 0.060000 56.408275 51.954454 55.036086 86 1 11 0.060000 55.644193 53.039596 51.038372 87 1 11 0.060000 55.062289 54.620645 51.584678 88 1 11 0.060000 56.774530 54.393069 51.196170 Bonds 1 1 64 63 2 1 65 64 3 1 66 65 4 1 69 66 5 2 63 62 6 2 69 62 7 3 62 61 8 4 75 63 9 4 76 64 10 4 77 65 11 4 78 66 12 4 79 69 13 5 70 61 14 6 71 70 15 6 72 71 16 7 61 1 17 7 61 2 18 8 73 72 19 9 74 68 20 10 80 70 21 10 81 70 22 10 82 71 23 10 83 71 24 10 84 72 25 10 85 72 26 11 86 74 27 11 87 74 28 11 88 74 29 12 73 67 30 13 73 68 Angles 1 1 63 64 65 2 1 64 65 66 3 1 65 66 69 4 2 63 62 69 5 3 62 63 64 6 3 62 69 66 7 4 61 62 63 8 4 61 62 69 9 5 64 63 75 10 5 63 64 76 11 5 65 64 76 12 5 64 65 77 13 5 66 65 77 14 5 65 66 78 15 5 69 66 78 16 5 66 69 79 17 6 62 63 75 18 6 62 69 79 19 7 61 70 71 20 8 70 71 72 21 9 62 61 70 22 10 1 61 70 23 10 2 61 70 24 11 1 61 2 25 12 71 72 73 26 13 61 70 80 27 13 61 70 81 28 14 71 70 80 29 14 71 70 81 30 14 70 71 82 31 14 70 71 83 32 14 72 71 82 33 14 72 71 83 34 14 71 72 84 35 14 71 72 85 36 15 73 72 84 37 15 73 72 85 38 16 68 74 86 39 16 68 74 87 40 16 68 74 88 41 17 80 70 81 42 17 82 71 83 43 17 84 72 85 44 18 86 74 87 45 18 86 74 88 46 18 87 74 88 47 19 1 61 70 48 19 2 61 70 49 20 1 61 62 50 20 2 61 62 51 21 68 73 72 52 22 67 73 72 53 23 67 73 68 54 24 73 68 74 55 25 2 1 61 56 25 6 1 61 57 25 9 1 61 58 25 1 2 61 59 25 3 2 61 60 25 12 2 61 Dihedrals 1 1 75 63 64 76 2 1 76 64 65 77 3 1 77 65 66 78 4 1 78 66 69 79 1 2 75 63 64 65 2 2 63 64 65 77 3 2 76 64 65 66 4 2 64 65 66 78 5 2 77 65 66 69 6 2 65 66 69 79 1 3 62 63 64 76 2 3 78 66 69 62 1 4 61 62 63 75 2 4 61 62 69 79 1 5 61 70 71 72 1 6 61 70 71 72 1 7 61 70 71 72 1 8 80 70 71 72 2 8 81 70 71 72 3 8 70 71 72 84 4 8 70 71 72 85 1 9 61 70 71 82 2 9 61 70 71 83 1 10 80 70 71 82 2 10 80 70 71 83 3 10 81 70 71 82 4 10 81 70 71 83 5 10 82 71 72 84 6 10 82 71 72 85 7 10 83 71 72 84 8 10 83 71 72 85 1 11 71 72 73 67 1 12 71 72 73 67 1 13 71 72 73 67 1 14 71 72 73 68 1 15 84 72 73 68 2 15 85 72 73 68 1 16 74 68 73 72 1 17 74 68 73 72 1 18 74 68 73 67 1 19 73 68 74 86 2 19 73 68 74 87 3 19 73 68 74 88 1 20 1 61 70 71 2 20 2 61 70 71 1 21 1 61 70 71 2 21 2 61 70 71 1 22 1 61 70 71 2 22 2 61 70 71 1 23 1 61 70 80 2 23 1 61 70 81 3 23 2 61 70 80 4 23 2 61 70 81 1 24 2 1 61 62 2 24 6 1 61 62 3 24 9 1 61 62 4 24 1 2 61 62 5 24 3 2 61 62 6 24 12 2 61 62 1 25 2 1 61 70 2 25 6 1 61 70 3 25 9 1 61 70 4 25 1 2 61 70 5 25 3 2 61 70 6 25 12 2 61 70