LAMMPS Description 36 atoms 47 bonds 44 angles 98 dihedrals 0 impropers 8 atom types 12 bond types 10 angle types 26 dihedral types 0 improper types 0.000000 44.909110 ylo yhi 0.000000 46.479120 xlo xhi 0.000000 48.018690 zlo zhi Masses 1 75.0000 2 75.0000 3 30.0000 4 66.0000 5 66.0000 6 66.0000 7 66.0000 8 18.0000 Bond Coeffs 1 117.500000 3.689000 2 212.500000 2.915000 3 212.500000 2.915000 4 205.000000 2.480000 5 212.500000 2.915000 6 117.500000 3.689000 7 217.500000 2.576000 8 217.500000 2.576000 9 205.000000 2.480000 10 117.500000 3.689000 11 217.500000 2.576000 12 212.500000 2.915000 Angle Coeffs 1 75.000000 121.000000 2 50.000000 110.000000 3 75.000000 121.000000 4 55.000000 105.000000 5 37.500000 142.000000 6 50.000000 110.000000 7 37.500000 142.000000 8 37.500000 142.000000 9 55.000000 105.000000 10 75.000000 121.000000 Dihedral Coeffs 1 15.000000 1.000000 -58.000000 2 5.050000 1.000000 -65.000000 0.650000 2.000000 71.000000 3 5.050000 1.000000 -65.000000 0.650000 2.000000 71.000000 4 0.500000 1.000000 55.000000 0.900000 2.000000 -20.000000 5 2.150000 1.000000 -135.000000 1.400000 2.000000 130.000000 6 21.000000 1.000000 40.000000 2.000000 3.000000 30.000000 7 1.800000 1.000000 93.000000 1.250000 2.000000 -145.000000 8 2.150000 1.000000 -135.000000 1.400000 2.000000 130.000000 9 0.500000 1.000000 27.000000 1.050000 2.000000 -115.000000 10 15.000000 1.000000 -58.000000 11 21.000000 1.000000 40.000000 2.000000 3.000000 30.000000 12 7.850000 1.000000 112.000000 2.150000 2.000000 -29.000000 13 7.850000 1.000000 112.000000 2.150000 2.000000 -29.000000 14 0.500000 1.000000 27.000000 1.050000 2.000000 -115.000000 15 7.850000 1.000000 112.000000 2.150000 2.000000 -29.000000 16 0.500000 1.000000 55.000000 0.900000 2.000000 -20.000000 17 7.500000 1.000000 -160.000000 18 15.000000 1.000000 -58.000000 19 21.000000 1.000000 40.000000 2.000000 3.000000 30.000000 20 1.800000 1.000000 93.000000 1.250000 2.000000 -145.000000 21 0.500000 1.000000 55.000000 0.900000 2.000000 -20.000000 22 0.500000 1.000000 27.000000 1.050000 2.000000 -115.000000 23 1.800000 1.000000 93.000000 1.250000 2.000000 -145.000000 24 7.500000 1.000000 -160.000000 25 5.050000 1.000000 -65.000000 0.650000 2.000000 71.000000 26 0.500000 1.000000 55.000000 0.900000 2.000000 -20.000000 Atoms 1 1 7 0.000 25.14978 23.39731 20.73244 2 1 6 0.000 22.60696 22.24635 21.54743 3 1 3 0.000 23.87063 20.02784 21.59016 4 1 2 0.000 29.77962 24.30051 22.70005 5 1 4 0.000 26.89552 24.03094 22.37056 6 1 3 0.000 26.85640 26.52276 22.99367 7 1 7 0.000 22.51652 23.90458 27.54930 8 1 6 0.000 22.12585 26.70340 28.18369 9 1 3 0.000 23.36065 27.14272 25.97810 10 1 5 0.000 20.68551 22.34821 23.09505 11 1 4 0.000 21.06552 22.76800 25.92603 12 1 3 0.000 21.30757 20.21772 26.06258 13 1 7 0.000 18.21565 27.29285 33.22989 14 1 6 0.000 16.22922 28.63576 34.85842 15 1 3 0.000 18.13817 30.20025 35.51396 16 1 5 0.000 20.54187 28.50177 28.74820 17 1 4 0.000 18.71466 28.16814 30.98294 18 1 3 0.000 17.27853 26.88429 29.30023 19 1 7 0.000 13.84863 33.19779 38.73144 20 1 6 0.000 12.25897 33.66534 41.11833 21 1 3 0.000 10.63041 34.79111 39.49005 22 1 5 0.000 14.10466 29.88060 34.82138 23 1 4 0.000 13.21292 31.53883 37.02959 24 1 3 0.000 12.55143 29.31556 38.12379 25 1 7 0.000 12.80904 35.75081 46.87688 26 1 6 0.000 15.24497 35.72686 48.46651 27 1 3 0.000 13.79203 34.55128 50.23022 28 1 5 0.000 11.01766 32.83836 43.08733 29 1 4 0.000 11.82898 33.81176 45.69812 30 1 3 0.000 13.38548 31.78059 45.71804 31 1 7 0.000 21.02778 38.22187 46.47049 32 1 1 0.000 21.28315 39.31881 43.78760 33 1 3 0.000 23.06023 37.49392 43.50097 34 1 5 0.000 17.59573 35.00217 48.62399 35 1 4 0.000 19.76177 36.18825 47.08420 36 1 3 0.000 18.81332 34.83322 45.13890 Bonds 1 2 1 2 2 6 1 3 3 4 1 5 4 11 2 3 5 9 2 10 6 12 4 5 7 10 4 6 8 8 5 6 9 2 7 8 10 6 7 9 11 4 7 11 12 11 8 9 13 9 8 16 14 5 10 11 15 1 10 12 16 8 11 12 17 2 13 14 18 6 13 15 19 4 13 17 20 11 14 15 21 9 14 22 22 5 16 17 23 1 16 18 24 8 17 18 25 2 19 20 26 6 19 21 27 4 19 23 28 11 20 21 29 9 20 28 30 5 22 23 31 1 22 24 32 8 23 24 33 2 25 26 34 6 25 27 35 4 25 29 36 11 26 27 37 9 26 34 38 5 28 29 39 1 28 30 40 8 29 30 41 3 31 32 42 6 31 33 43 4 31 35 44 7 32 33 45 5 34 35 46 1 34 36 47 8 35 36 Angles 1 8 1 2 10 2 7 1 5 4 3 2 1 5 6 4 1 2 1 5 5 10 2 10 11 6 9 2 10 12 7 4 3 1 5 8 6 3 2 10 9 8 7 8 16 10 5 7 11 10 11 2 7 11 12 12 1 8 7 11 13 10 8 16 17 14 9 8 16 18 15 4 9 7 11 16 6 9 8 16 17 8 13 14 22 18 5 13 17 16 19 2 13 17 18 20 1 14 13 17 21 10 14 22 23 22 9 14 22 24 23 4 15 13 17 24 6 15 14 22 25 8 19 20 28 26 5 19 23 22 27 2 19 23 24 28 1 20 19 23 29 10 20 28 29 30 9 20 28 30 31 4 21 19 23 32 6 21 20 28 33 8 25 26 34 34 5 25 29 28 35 2 25 29 30 36 1 26 25 29 37 10 26 34 35 38 9 26 34 36 39 4 27 25 29 40 6 27 26 34 41 5 31 35 34 42 2 31 35 36 43 3 32 31 35 44 4 33 31 35 Dihedrals 1 21 1 2 10 11 2 22 1 2 10 12 3 11 1 3 2 10 4 3 1 5 4 6 5 6 1 5 6 4 6 4 2 1 5 4 7 20 2 1 5 6 8 1 2 3 1 5 9 17 2 10 11 7 10 15 2 10 11 12 11 18 2 10 12 11 12 2 3 1 2 10 13 14 3 1 5 4 14 5 3 1 5 6 15 13 3 2 1 5 16 23 3 2 10 11 17 8 3 2 10 12 18 24 5 1 2 10 19 21 7 8 16 17 20 22 7 8 16 18 21 11 7 9 8 16 22 25 7 11 10 12 23 19 7 11 12 10 24 16 8 7 11 10 25 20 8 7 11 12 26 1 8 9 7 11 27 17 8 16 17 13 28 15 8 16 17 18 29 18 8 16 18 17 30 2 9 7 8 16 31 9 9 7 11 10 32 5 9 7 11 12 33 13 9 8 7 11 34 23 9 8 16 17 35 8 9 8 16 18 36 24 11 7 8 16 37 21 13 14 22 23 38 22 13 14 22 24 39 11 13 15 14 22 40 25 13 17 16 18 41 19 13 17 18 16 42 16 14 13 17 16 43 20 14 13 17 18 44 1 14 15 13 17 45 17 14 22 23 19 46 15 14 22 23 24 47 18 14 22 24 23 48 2 15 13 14 22 49 9 15 13 17 16 50 5 15 13 17 18 51 13 15 14 13 17 52 23 15 14 22 23 53 8 15 14 22 24 54 24 17 13 14 22 55 21 19 20 28 29 56 22 19 20 28 30 57 11 19 21 20 28 58 25 19 23 22 24 59 19 19 23 24 22 60 16 20 19 23 22 61 20 20 19 23 24 62 1 20 21 19 23 63 17 20 28 29 25 64 15 20 28 29 30 65 18 20 28 30 29 66 2 21 19 20 28 67 9 21 19 23 22 68 5 21 19 23 24 69 13 21 20 19 23 70 23 21 20 28 29 71 8 21 20 28 30 72 24 23 19 20 28 73 21 25 26 34 35 74 22 25 26 34 36 75 11 25 27 26 34 76 25 25 29 28 30 77 19 25 29 30 28 78 16 26 25 29 28 79 20 26 25 29 30 80 1 26 27 25 29 81 17 26 34 35 31 82 15 26 34 35 36 83 18 26 34 36 35 84 2 27 25 26 34 85 9 27 25 29 28 86 5 27 25 29 30 87 13 27 26 25 29 88 23 27 26 34 35 89 8 27 26 34 36 90 24 29 25 26 34 91 25 31 35 34 36 92 19 31 35 36 34 93 26 32 31 35 34 94 7 32 31 35 36 95 10 32 33 31 35 96 9 33 31 35 34 97 5 33 31 35 36 98 12 33 32 31 35