LAMMPS data with labels (Moon-ki Choi/Ilia Nikiforov) 48 atoms 32 bonds 48 angles 0 dihedrals 3 atom types 1 bond types 1 angle types 0 dihedral types -3.495500000000000e+00 3.495500000000000e+00 xlo xhi -3.498000000000000e+00 3.498000000000000e+00 ylo yhi -6.238000000000000e+00 6.238000000000000e+00 zlo zhi Atom Type Labels 1 IOCS 2 ISCS 3 ICA_G Bond Type Labels 1 ISCS-IOCS Angle Type Labels 1 IOCS-ISCS-IOCS Atoms 1 1 2 5.000000000000000e-01 -1.747750020000000e+00 -3.498000010000000e+00 -5.271110000000000e+00 0 0 0 2 1 1 -5.500000000000000e-01 -1.747750020000000e+00 -4.694320010000000e+00 -6.144430000000000e+00 0 0 0 3 1 1 -5.500000000000000e-01 -2.936220020000000e+00 -3.498000010000000e+00 -4.379080000000000e+00 0 0 0 4 1 1 -5.500000000000000e-01 -5.592800200000000e-01 -3.498000010000000e+00 -4.379080000000000e+00 0 0 0 5 1 1 -5.500000000000000e-01 -1.747750020000000e+00 -2.301680010000000e+00 -6.144430000000000e+00 0 0 0 6 1 3 1.700000000000000e+00 -1.747750020000000e+00 -3.498000010000000e+00 -2.158350000000000e+00 0 0 0 7 1 2 5.000000000000000e-01 1.747749980000000e+00 -3.498000010000000e+00 -9.668900000000000e-01 0 0 0 8 1 1 -5.500000000000000e-01 1.747749980000000e+00 -4.694320010000000e+00 -9.357000000000000e-02 0 0 0 9 1 1 -5.500000000000000e-01 2.936219980000000e+00 -3.498000010000000e+00 -1.858920000000000e+00 0 0 0 10 1 1 -5.500000000000000e-01 5.592799800000000e-01 -3.498000010000000e+00 -1.858920000000000e+00 0 0 0 11 1 1 -5.500000000000000e-01 1.747749980000000e+00 -2.301680010000000e+00 -9.357000000000000e-02 0 0 0 12 1 3 1.700000000000000e+00 1.747749980000000e+00 -3.498000010000000e+00 -4.079650000000000e+00 0 0 0 13 1 2 5.000000000000000e-01 -1.747750020000000e+00 -1.000000000000000e-08 -2.152110000000000e+00 0 0 0 14 1 1 -5.500000000000000e-01 -1.747750020000000e+00 -1.196320010000000e+00 -3.025430000000000e+00 0 0 0 15 1 1 -5.500000000000000e-01 -2.936220020000000e+00 -1.000000000000000e-08 -1.260080000000000e+00 0 0 0 16 1 1 -5.500000000000000e-01 -5.592800200000000e-01 -1.000000000000000e-08 -1.260080000000000e+00 0 0 0 17 1 1 -5.500000000000000e-01 -1.747750020000000e+00 1.196319990000000e+00 -3.025430000000000e+00 0 0 0 18 1 3 1.700000000000000e+00 -1.747750020000000e+00 -1.000000000000000e-08 -5.277350000000000e+00 0 0 0 19 1 2 5.000000000000000e-01 1.747749980000000e+00 -1.000000000000000e-08 -4.085890000000000e+00 0 0 0 20 1 1 -5.500000000000000e-01 1.747749980000000e+00 -1.196320010000000e+00 -3.212570000000000e+00 0 0 0 21 1 1 -5.500000000000000e-01 2.936219980000000e+00 -1.000000000000000e-08 -4.977920000000000e+00 0 0 0 22 1 1 -5.500000000000000e-01 5.592799800000000e-01 -1.000000000000000e-08 -4.977920000000000e+00 0 0 0 23 1 1 -5.500000000000000e-01 1.747749980000000e+00 1.196319990000000e+00 -3.212570000000000e+00 0 0 0 24 1 3 1.700000000000000e+00 1.747749980000000e+00 -1.000000000000000e-08 -9.606500000000000e-01 0 0 0 25 2 2 5.000000000000000e-01 -1.747750020000000e+00 -3.498000010000000e+00 9.668900000000000e-01 0 0 0 26 2 1 -5.500000000000000e-01 -1.747750020000000e+00 -4.694320010000000e+00 9.357000000000000e-02 0 0 0 27 2 1 -5.500000000000000e-01 -2.936220020000000e+00 -3.498000010000000e+00 1.858920000000000e+00 0 0 0 28 2 1 -5.500000000000000e-01 -5.592800200000000e-01 -3.498000010000000e+00 1.858920000000000e+00 0 0 0 29 2 1 -5.500000000000000e-01 -1.747750020000000e+00 -2.301680010000000e+00 9.357000000000000e-02 0 0 0 30 2 3 1.700000000000000e+00 -1.747750020000000e+00 -3.498000010000000e+00 4.079650000000000e+00 0 0 0 31 2 2 5.000000000000000e-01 1.747749980000000e+00 -3.498000010000000e+00 5.271110000000000e+00 0 0 0 32 2 1 -5.500000000000000e-01 1.747749980000000e+00 -4.694320010000000e+00 6.144430000000000e+00 0 0 0 33 2 1 -5.500000000000000e-01 2.936219980000000e+00 -3.498000010000000e+00 4.379080000000000e+00 0 0 0 34 2 1 -5.500000000000000e-01 5.592799800000000e-01 -3.498000010000000e+00 4.379080000000000e+00 0 0 0 35 2 1 -5.500000000000000e-01 1.747749980000000e+00 -2.301680010000000e+00 6.144430000000000e+00 0 0 0 36 2 3 1.700000000000000e+00 1.747749980000000e+00 -3.498000010000000e+00 2.158350000000000e+00 0 0 0 37 2 2 5.000000000000000e-01 -1.747750020000000e+00 -1.000000000000000e-08 4.085890000000000e+00 0 0 0 38 2 1 -5.500000000000000e-01 -1.747750020000000e+00 -1.196320010000000e+00 3.212570000000000e+00 0 0 0 39 2 1 -5.500000000000000e-01 -2.936220020000000e+00 -1.000000000000000e-08 4.977920000000000e+00 0 0 0 40 2 1 -5.500000000000000e-01 -5.592800200000000e-01 -1.000000000000000e-08 4.977920000000000e+00 0 0 0 41 2 1 -5.500000000000000e-01 -1.747750020000000e+00 1.196319990000000e+00 3.212570000000000e+00 0 0 0 42 2 3 1.700000000000000e+00 -1.747750020000000e+00 -1.000000000000000e-08 9.606500000000000e-01 0 0 0 43 2 2 5.000000000000000e-01 1.747749980000000e+00 -1.000000000000000e-08 2.152110000000000e+00 0 0 0 44 2 1 -5.500000000000000e-01 1.747749980000000e+00 -1.196320010000000e+00 3.025430000000000e+00 0 0 0 45 2 1 -5.500000000000000e-01 2.936219980000000e+00 -1.000000000000000e-08 1.260080000000000e+00 0 0 0 46 2 1 -5.500000000000000e-01 5.592799800000000e-01 -1.000000000000000e-08 1.260080000000000e+00 0 0 0 47 2 1 -5.500000000000000e-01 1.747749980000000e+00 1.196319990000000e+00 3.025430000000000e+00 0 0 0 48 2 3 1.700000000000000e+00 1.747749980000000e+00 -1.000000000000000e-08 5.277350000000000e+00 0 0 0 Bonds 1 1 1 2 2 1 1 3 3 1 1 4 4 1 1 5 5 1 7 8 6 1 7 9 7 1 7 10 8 1 7 11 9 1 13 14 10 1 13 15 11 1 13 16 12 1 13 17 13 1 19 20 14 1 19 21 15 1 19 22 16 1 19 23 17 1 25 26 18 1 25 27 19 1 25 28 20 1 25 29 21 1 31 32 22 1 31 33 23 1 31 34 24 1 31 35 25 1 37 38 26 1 37 39 27 1 37 40 28 1 37 41 29 1 43 44 30 1 43 45 31 1 43 46 32 1 43 47 Angles 1 1 2 1 3 2 1 2 1 4 3 1 2 1 5 4 1 3 1 4 5 1 3 1 5 6 1 4 1 5 7 1 8 7 9 8 1 8 7 10 9 1 8 7 11 10 1 9 7 10 11 1 9 7 11 12 1 10 7 11 13 1 14 13 15 14 1 14 13 16 15 1 14 13 17 16 1 15 13 16 17 1 15 13 17 18 1 16 13 17 19 1 20 19 21 20 1 20 19 22 21 1 20 19 23 22 1 21 19 22 23 1 21 19 23 24 1 22 19 23 25 1 26 25 27 26 1 26 25 28 27 1 26 25 29 28 1 27 25 28 29 1 27 25 29 30 1 28 25 29 31 1 32 31 33 32 1 32 31 34 33 1 32 31 35 34 1 33 31 34 35 1 33 31 35 36 1 34 31 35 37 1 38 37 39 38 1 38 37 40 39 1 38 37 41 40 1 39 37 40 41 1 39 37 41 42 1 40 37 41 43 1 44 43 45 44 1 44 43 46 45 1 44 43 47 46 1 45 43 46 47 1 45 43 47 48 1 46 43 47