LAMMPS Description 32 atoms 31 bonds 60 angles 59 dihedrals 10 impropers 13 atom types 8 bond types 13 angle types 12 dihedral types 2 improper types -50 50 xlo xhi -50 50 ylo yhi -50 50 zlo zhi Masses 1 12.0110 2 12.0110 3 12.0110 4 12.0110 5 12.0110 6 12.0110 7 12.0110 8 1.0080 9 1.0080 10 1.0080 11 14.0070 12 30.9738 13 18.9984 Pair Coeffs 1 0.065999 3.500000 2 0.065999 3.500000 3 0.065999 3.500000 4 0.070000 3.550000 5 0.056999 3.500000 6 0.065999 3.500000 7 0.070000 3.550000 8 0.030000 2.420000 9 0.030000 2.500000 10 0.030000 2.500000 11 0.170000 3.250000 12 0.200000 3.740000 13 0.061000 3.118100 Bond Coeffs 1 0.000000 1.080000 2 0.000000 1.090000 3 477.100000 1.315000 4 427.100000 1.378000 5 520.100000 1.341000 6 337.000000 1.466000 7 267.900000 1.529000 8 370.500000 1.606000 Angle Coeffs 1 69.930000 108.000000 2 69.930000 125.600000 3 69.930000 126.400000 4 34.970000 125.100000 5 69.930000 109.800000 6 69.930000 107.100000 7 34.970000 122.000000 8 34.970000 130.900000 9 74.850000 110.700000 10 100.000000 112.700000 11 65.990000 107.800000 12 278.400000 90.000000 13 69.550000 180.000000 Dihedral Coeffs 1 0.000000 4.651000 0.000000 0.000000 2 0.000000 10.750000 0.000000 0.000000 3 0.000000 3.000000 0.000000 0.000000 4 0.000000 0.000000 0.131400 0.000000 5 0.000000 0.000000 0.000000 0.000000 6 -1.380000 1.059000 0.209600 0.000000 7 -0.772000 0.000000 0.000000 0.000000 8 0.176000 -0.162800 0.243800 0.000000 9 0.000000 0.000000 0.000000 0.000000 10 0.000000 0.000000 0.365900 0.000000 11 0.000000 0.000000 0.318100 0.000000 12 0.174000 -0.157000 0.278900 0.000000 Improper Coeffs 1 8.781000 -1 2 2 4.398000 -1 2 Atoms 1 1 6 -0.18 -1.74790 0.10351 -0.62411 2 1 5 -0.12 -0.70552 0.36277 0.45997 3 1 2 0.01 0.70856 0.05941 -0.04811 4 1 1 -0.17 1.75297 0.31498 1.04434 5 1 4 -0.11 4.16266 0.98572 0.45834 6 1 7 -0.13 3.56420 -1.20916 0.09305 7 1 7 -0.13 4.88359 -1.07207 -0.28659 8 1 1 -0.17 6.58920 0.80688 -0.35676 9 1 11 0.15 3.08498 0.03753 0.55176 10 1 11 0.15 5.28301 0.26346 -0.07850 11 1 9 0.06 -2.76070 0.32933 -0.22878 12 1 9 0.06 -1.55763 0.75133 -1.50623 13 1 9 0.06 -1.71953 -0.96118 -0.94022 14 1 9 0.06 -0.77020 1.42780 0.77310 15 1 9 0.06 -0.93338 -0.28180 1.33686 16 1 9 0.06 0.93317 0.70664 -0.92436 17 1 9 0.06 0.76074 -1.00426 -0.36726 18 1 10 0.13 1.68961 1.37767 1.36563 19 1 10 0.13 1.54929 -0.33077 1.92560 20 1 8 0.21 4.14246 2.05216 0.75366 21 1 8 0.21 2.98594 -2.12251 0.04928 22 1 8 0.21 5.51562 -1.85762 -0.67914 23 1 10 0.13 6.62114 1.88730 -0.10032 24 1 10 0.13 7.35262 0.27095 0.24473 25 1 10 0.13 6.82027 0.68742 -1.43596 26 2 12 1.34 2.55305 4.81635 0.03022 27 2 13 -0.39 3.04159 6.28344 0.77803 28 2 13 -0.39 0.90906 5.20118 0.34530 29 2 13 -0.39 2.06495 3.34893 -0.71797 30 2 13 -0.39 4.19765 4.43300 -0.28619 31 2 13 -0.39 2.45261 5.62018 -1.48434 32 2 13 -0.39 2.65194 4.01477 1.54633 Bonds 1 7 1 2 2 7 2 3 3 7 3 4 4 6 4 9 5 3 9 5 6 4 9 6 7 5 6 7 8 3 10 5 9 4 10 7 10 6 10 8 11 2 1 11 12 2 1 12 13 2 1 13 14 2 2 14 15 2 2 15 16 2 3 16 17 2 3 17 18 2 4 18 19 2 4 19 20 1 5 20 21 1 6 21 22 1 7 22 23 2 8 23 24 2 8 24 25 2 8 25 26 8 26 27 27 8 26 28 28 8 26 29 29 8 26 30 30 8 26 31 31 8 26 32 Angles 1 10 1 2 3 2 9 1 2 14 3 9 1 2 15 4 9 2 1 11 5 9 2 1 12 6 9 2 1 13 7 10 2 3 4 8 9 2 3 16 9 9 2 3 17 10 9 3 2 14 11 9 3 2 15 12 10 3 4 9 13 9 3 4 18 14 9 3 4 19 15 9 4 3 16 16 9 4 3 17 17 3 4 9 5 18 2 4 9 6 19 1 5 9 6 20 1 5 10 7 21 3 5 10 8 22 6 6 7 10 23 8 6 7 22 24 6 7 6 9 25 8 7 6 21 26 2 7 10 8 27 9 9 4 18 28 9 9 4 19 29 5 9 5 10 30 4 9 5 20 31 7 9 6 21 32 4 10 5 20 33 7 10 7 22 34 9 10 8 23 35 9 10 8 24 36 9 10 8 25 37 11 11 1 12 38 11 11 1 13 39 11 12 1 13 40 11 14 2 15 41 11 16 3 17 42 11 18 4 19 43 11 23 8 24 44 11 23 8 25 45 11 24 8 25 46 12 27 26 28 47 12 27 26 29 48 13 27 26 30 49 12 27 26 31 50 12 27 26 32 51 12 28 26 29 52 12 28 26 30 53 13 28 26 31 54 12 28 26 32 55 12 29 26 30 56 12 29 26 31 57 13 29 26 32 58 12 30 26 31 59 12 30 26 32 60 12 31 26 32 Dihedrals 1 12 1 2 3 4 2 10 1 2 3 16 3 10 1 2 3 17 4 8 2 3 4 9 5 10 2 3 4 18 6 10 2 3 4 19 7 10 3 2 1 11 8 10 3 2 1 12 9 10 3 2 1 13 10 7 3 4 9 5 11 6 3 4 9 6 12 10 4 3 2 14 13 10 4 3 2 15 14 1 4 9 5 10 15 1 4 9 5 20 16 3 4 9 6 7 17 3 4 9 6 21 18 5 5 9 4 18 19 5 5 9 4 19 20 3 5 9 6 7 21 3 5 9 6 21 22 3 5 10 7 6 23 3 5 10 7 22 24 5 5 10 8 23 25 5 5 10 8 24 26 5 5 10 8 25 27 4 6 9 4 18 28 4 6 9 4 19 29 1 6 9 5 10 30 1 6 9 5 20 31 3 6 7 10 8 32 1 7 10 5 9 33 1 7 10 5 20 34 4 7 10 8 23 35 4 7 10 8 24 36 4 7 10 8 25 37 1 8 10 5 9 38 1 8 10 5 20 39 3 8 10 7 22 40 9 9 4 3 16 41 9 9 4 3 17 42 2 9 6 7 10 43 2 9 6 7 22 44 2 10 7 6 21 45 11 11 1 2 14 46 11 11 1 2 15 47 11 12 1 2 14 48 11 12 1 2 15 49 11 13 1 2 14 50 11 13 1 2 15 51 11 14 2 3 16 52 11 14 2 3 17 53 11 15 2 3 16 54 11 15 2 3 17 55 11 16 3 4 18 56 11 16 3 4 19 57 11 17 3 4 18 58 11 17 3 4 19 59 2 21 6 7 22 Impropers 1 1 5 10 7 4 2 1 5 10 7 8 3 1 5 9 6 4 4 1 5 9 6 8 5 2 9 5 10 20 6 2 10 5 9 20 7 2 9 6 7 21 8 2 10 7 6 22 9 2 10 7 6 22 10 2 6 7 10 22