Created by /home/vasumathy/scripts/createLammpsInput.pl on Mon Apr 9 10:59:17 2012 180 atoms 0 bonds 0 angles 0 dihedrals 0 impropers 3 atom types 0 bond types 0 angle types 0 dihedral types 0 improper types -2.298211 14.198211 xlo xhi -2.731161 13.032211 ylo yhi -5.225161 36.415211 zlo zhi Masses 1 1.0080 # H_ 2 12.0110 # C_3 3 32.0600 # S_3 Atoms 1 3 -0.147 1.90100 -0.93600 -3.43000 2 2 0.041 1.89900 0.28700 -2.13500 3 1 0.053 2.77200 0.90000 -2.22300 4 1 0.053 1.02500 0.89800 -2.22400 5 2 -0.106 1.89900 -0.41600 -0.76500 6 1 0.053 2.77200 -1.02800 -0.67900 7 1 0.053 1.02500 -1.02600 -0.67800 8 2 -0.106 1.90000 0.64200 0.35400 9 1 0.053 1.02700 1.25400 0.26700 10 1 0.053 2.77500 1.25200 0.26700 11 2 -0.106 1.89900 -0.06000 1.72500 12 1 0.053 2.77300 -0.67400 1.81200 13 1 0.053 1.02500 -0.67200 1.81100 14 2 -0.106 1.90100 0.99700 2.84400 15 1 0.053 1.02800 1.60900 2.75600 16 1 0.053 2.77500 1.60700 2.75700 17 2 -0.159 1.90000 0.29400 4.21400 18 1 0.053 2.77300 -0.31900 4.30100 19 1 0.053 1.90100 1.02900 4.99200 20 1 0.053 1.02600 -0.31700 4.30100 21 3 -0.147 6.90100 -0.93600 -3.43000 22 2 0.041 6.89900 0.28700 -2.13500 23 1 0.053 7.77200 0.90000 -2.22300 24 1 0.053 6.02500 0.89800 -2.22400 25 2 -0.106 6.89900 -0.41600 -0.76500 26 1 0.053 7.77200 -1.02800 -0.67900 27 1 0.053 6.02500 -1.02600 -0.67800 28 2 -0.106 6.90000 0.64200 0.35400 29 1 0.053 6.02700 1.25400 0.26700 30 1 0.053 7.77500 1.25200 0.26700 31 2 -0.106 6.89900 -0.06000 1.72500 32 1 0.053 7.77300 -0.67400 1.81200 33 1 0.053 6.02500 -0.67200 1.81100 34 2 -0.106 6.90100 0.99700 2.84400 35 1 0.053 6.02800 1.60900 2.75600 36 1 0.053 7.77500 1.60700 2.75700 37 2 -0.159 6.90000 0.29400 4.21400 38 1 0.053 7.77300 -0.31900 4.30100 39 1 0.053 6.90100 1.02900 4.99200 40 1 0.053 6.02600 -0.31700 4.30100 41 3 -0.147 11.90100 -0.93600 -3.43000 42 2 0.041 11.89900 0.28700 -2.13500 43 1 0.053 12.77200 0.90000 -2.22300 44 1 0.053 11.02500 0.89800 -2.22400 45 2 -0.106 11.89900 -0.41600 -0.76500 46 1 0.053 12.77200 -1.02800 -0.67900 47 1 0.053 11.02500 -1.02600 -0.67800 48 2 -0.106 11.90000 0.64200 0.35400 49 1 0.053 11.02700 1.25400 0.26700 50 1 0.053 12.77500 1.25200 0.26700 51 2 -0.106 11.89900 -0.06000 1.72500 52 1 0.053 12.77300 -0.67400 1.81200 53 1 0.053 11.02500 -0.67200 1.81100 54 2 -0.106 11.90100 0.99700 2.84400 55 1 0.053 11.02800 1.60900 2.75600 56 1 0.053 12.77500 1.60700 2.75700 57 2 -0.159 11.90000 0.29400 4.21400 58 1 0.053 12.77300 -0.31900 4.30100 59 1 0.053 11.90100 1.02900 4.99200 60 1 0.053 11.02600 -0.31700 4.30100 61 3 -0.147 0.00100 4.06400 -3.43000 62 2 0.041 -0.00100 5.28700 -2.13500 63 1 0.053 0.87200 5.90000 -2.22300 64 1 0.053 -0.87500 5.89800 -2.22400 65 2 -0.106 -0.00100 4.58400 -0.76500 66 1 0.053 0.87200 3.97200 -0.67900 67 1 0.053 -0.87500 3.97400 -0.67800 68 2 -0.106 0.00000 5.64200 0.35400 69 1 0.053 -0.87300 6.25400 0.26700 70 1 0.053 0.87500 6.25200 0.26700 71 2 -0.106 -0.00100 4.94000 1.72500 72 1 0.053 0.87300 4.32600 1.81200 73 1 0.053 -0.87500 4.32800 1.81100 74 2 -0.106 0.00100 5.99700 2.84400 75 1 0.053 -0.87200 6.60900 2.75600 76 1 0.053 0.87500 6.60700 2.75700 77 2 -0.159 0.00000 5.29400 4.21400 78 1 0.053 0.87300 4.68100 4.30100 79 1 0.053 0.00100 6.02900 4.99200 80 1 0.053 -0.87400 4.68300 4.30100 81 3 -0.147 5.00100 4.06400 -3.43000 82 2 0.041 4.99900 5.28700 -2.13500 83 1 0.053 5.87200 5.90000 -2.22300 84 1 0.053 4.12500 5.89800 -2.22400 85 2 -0.106 4.99900 4.58400 -0.76500 86 1 0.053 5.87200 3.97200 -0.67900 87 1 0.053 4.12500 3.97400 -0.67800 88 2 -0.106 5.00000 5.64200 0.35400 89 1 0.053 4.12700 6.25400 0.26700 90 1 0.053 5.87500 6.25200 0.26700 91 2 -0.106 4.99900 4.94000 1.72500 92 1 0.053 5.87300 4.32600 1.81200 93 1 0.053 4.12500 4.32800 1.81100 94 2 -0.106 5.00100 5.99700 2.84400 95 1 0.053 4.12800 6.60900 2.75600 96 1 0.053 5.87500 6.60700 2.75700 97 2 -0.159 5.00000 5.29400 4.21400 98 1 0.053 5.87300 4.68100 4.30100 99 1 0.053 5.00100 6.02900 4.99200 100 1 0.053 4.12600 4.68300 4.30100 101 3 -0.147 10.00100 4.06400 -3.43000 102 2 0.041 9.99900 5.28700 -2.13500 103 1 0.053 10.87200 5.90000 -2.22300 104 1 0.053 9.12500 5.89800 -2.22400 105 2 -0.106 9.99900 4.58400 -0.76500 106 1 0.053 10.87200 3.97200 -0.67900 107 1 0.053 9.12500 3.97400 -0.67800 108 2 -0.106 10.00000 5.64200 0.35400 109 1 0.053 9.12700 6.25400 0.26700 110 1 0.053 10.87500 6.25200 0.26700 111 2 -0.106 9.99900 4.94000 1.72500 112 1 0.053 10.87300 4.32600 1.81200 113 1 0.053 9.12500 4.32800 1.81100 114 2 -0.106 10.00100 5.99700 2.84400 115 1 0.053 9.12800 6.60900 2.75600 116 1 0.053 10.87500 6.60700 2.75700 117 2 -0.159 10.00000 5.29400 4.21400 118 1 0.053 10.87300 4.68100 4.30100 119 1 0.053 10.00100 6.02900 4.99200 120 1 0.053 9.12600 4.68300 4.30100 121 3 -0.147 1.90100 9.06400 -3.43000 122 2 0.041 1.89900 10.28700 -2.13500 123 1 0.053 2.77200 10.90000 -2.22300 124 1 0.053 1.02500 10.89800 -2.22400 125 2 -0.106 1.89900 9.58400 -0.76500 126 1 0.053 2.77200 8.97200 -0.67900 127 1 0.053 1.02500 8.97400 -0.67800 128 2 -0.106 1.90000 10.64200 0.35400 129 1 0.053 1.02700 11.25400 0.26700 130 1 0.053 2.77500 11.25200 0.26700 131 2 -0.106 1.89900 9.94000 1.72500 132 1 0.053 2.77300 9.32600 1.81200 133 1 0.053 1.02500 9.32800 1.81100 134 2 -0.106 1.90100 10.99700 2.84400 135 1 0.053 1.02800 11.60900 2.75600 136 1 0.053 2.77500 11.60700 2.75700 137 2 -0.159 1.90000 10.29400 4.21400 138 1 0.053 2.77300 9.68100 4.30100 139 1 0.053 1.90100 11.02900 4.99200 140 1 0.053 1.02600 9.68300 4.30100 141 3 -0.147 6.90100 9.06400 -3.43000 142 2 0.041 6.89900 10.28700 -2.13500 143 1 0.053 7.77200 10.90000 -2.22300 144 1 0.053 6.02500 10.89800 -2.22400 145 2 -0.106 6.89900 9.58400 -0.76500 146 1 0.053 7.77200 8.97200 -0.67900 147 1 0.053 6.02500 8.97400 -0.67800 148 2 -0.106 6.90000 10.64200 0.35400 149 1 0.053 6.02700 11.25400 0.26700 150 1 0.053 7.77500 11.25200 0.26700 151 2 -0.106 6.89900 9.94000 1.72500 152 1 0.053 7.77300 9.32600 1.81200 153 1 0.053 6.02500 9.32800 1.81100 154 2 -0.106 6.90100 10.99700 2.84400 155 1 0.053 6.02800 11.60900 2.75600 156 1 0.053 7.77500 11.60700 2.75700 157 2 -0.159 6.90000 10.29400 4.21400 158 1 0.053 7.77300 9.68100 4.30100 159 1 0.053 6.90100 11.02900 4.99200 160 1 0.053 6.02600 9.68300 4.30100 161 3 -0.147 11.90100 9.06400 -3.43000 162 2 0.041 11.89900 10.28700 -2.13500 163 1 0.053 12.77200 10.90000 -2.22300 164 1 0.053 11.02500 10.89800 -2.22400 165 2 -0.106 11.89900 9.58400 -0.76500 166 1 0.053 12.77200 8.97200 -0.67900 167 1 0.053 11.02500 8.97400 -0.67800 168 2 -0.106 11.90000 10.64200 0.35400 169 1 0.053 11.02700 11.25400 0.26700 170 1 0.053 12.77500 11.25200 0.26700 171 2 -0.106 11.89900 9.94000 1.72500 172 1 0.053 12.77300 9.32600 1.81200 173 1 0.053 11.02500 9.32800 1.81100 174 2 -0.106 11.90100 10.99700 2.84400 175 1 0.053 11.02800 11.60900 2.75600 176 1 0.053 12.77500 11.60700 2.75700 177 2 -0.159 11.90000 10.29400 4.21400 178 1 0.053 12.77300 9.68100 4.30100 179 1 0.053 11.90100 11.02900 4.99200 180 1 0.053 11.02600 9.68300 4.30100