LAMMPS data file from restart file: timestep = 0, procs = 1 200 atoms 100 bonds 199 angles 100 dihedrals 2 atom types 1 bond types 2 angle types 1 dihedral types -20 20 xlo xhi -20 20 ylo yhi -20 20 zlo zhi Masses 1 1 2 1 Atoms 1 1 1 0 -5 -0 0 0 0 2 1 2 1.12246 -5 -0 0 0 0 3 2 1 1.56728 -4.93101 -0.936907 0 0 0 4 2 2 2.68974 -4.93101 -0.936907 0 0 0 5 3 1 3.11357 -4.72526 -1.84062 0 0 0 6 3 2 4.23603 -4.72526 -1.84062 0 0 0 7 4 1 4.61815 -4.38633 -2.67913 0 0 0 8 4 2 5.74061 -4.38633 -2.67913 0 0 0 9 5 1 6.06099 -3.92015 -3.42274 0 0 0 10 5 2 7.18345 -3.92015 -3.42274 0 0 0 11 6 1 7.42294 -3.33489 -4.04508 0 0 0 12 6 2 8.5454 -3.33489 -4.04508 0 0 0 13 7 1 8.68609 -2.6408 -4.52414 0 0 0 14 7 2 9.80855 -2.6408 -4.52414 0 0 0 15 8 1 9.83403 -1.8501 -4.84292 0 0 0 16 8 2 10.9565 -1.8501 -4.84292 0 0 0 17 9 1 10.852 -0.976735 -4.99013 0 0 0 18 9 2 11.9745 -0.976735 -4.99013 0 0 0 19 10 1 11.7274 -0.0361533 -4.96057 0 0 0 20 10 2 12.8499 -0.0361533 -4.96057 0 0 0 21 11 1 12.4495 0.954915 -4.75528 0 0 0 22 11 2 13.572 0.954915 -4.75528 0 0 0 23 12 1 13.01 1.97875 -4.38153 0 0 0 24 12 2 14.1325 1.97875 -4.38153 0 0 0 25 13 1 13.403 3.01694 -3.85257 0 0 0 26 13 2 14.5255 3.01694 -3.85257 0 0 0 27 14 1 13.6251 4.05064 -3.18712 0 0 0 28 14 2 14.7476 4.05064 -3.18712 0 0 0 29 15 1 13.6754 5.06093 -2.40877 0 0 0 30 15 2 14.7979 5.06093 -2.40877 0 0 0 31 16 1 13.5557 6.0291 -1.54508 0 0 0 32 16 2 14.6781 6.0291 -1.54508 0 0 0 33 17 1 13.2699 6.93693 -0.626666 0 0 0 34 17 2 14.3924 6.93693 -0.626666 0 0 0 35 18 1 12.8248 7.76704 0.313953 0 0 0 36 18 2 13.9473 7.76704 0.313953 0 0 0 37 19 1 12.2293 8.50314 1.24345 0 0 0 38 19 2 13.3517 8.50314 1.24345 0 0 0 39 20 1 11.4944 9.13031 2.1289 0 0 0 40 20 2 12.6168 9.13031 2.1289 0 0 0 41 21 1 10.6331 9.63525 2.93893 0 0 0 42 21 2 11.7556 9.63525 2.93893 0 0 0 43 22 1 9.66045 10.0065 3.64484 0 0 0 44 22 2 10.7829 10.0065 3.64484 0 0 0 45 23 1 8.59268 10.2347 4.22164 0 0 0 46 23 2 9.71514 10.2347 4.22164 0 0 0 47 24 1 7.44747 10.3125 4.64888 0 0 0 48 24 2 8.56993 10.3125 4.64888 0 0 0 49 25 1 6.24347 10.2351 4.91144 0 0 0 50 25 2 7.36593 10.2351 4.91144 0 0 0 51 26 1 5 10 5 0 0 0 52 26 2 6.12246 10 5 0 0 0 53 27 1 3.7368 9.60719 4.91144 0 0 0 54 27 2 4.85926 9.60719 4.91144 0 0 0 55 28 1 2.47367 9.05917 4.64888 0 0 0 56 28 2 3.59613 9.05917 4.64888 0 0 0 57 29 1 1.23019 8.36086 4.22164 0 0 0 58 29 2 2.35265 8.36086 4.22164 0 0 0 59 30 1 0.0253791 7.51962 3.64484 0 0 0 60 30 2 1.14784 7.51962 3.64484 0 0 0 61 31 1 -1.12257 6.54508 2.93893 0 0 0 62 31 2 -0.000109941 6.54508 2.93893 0 0 0 63 32 1 -2.19659 5.44906 2.1289 0 0 0 64 32 2 -1.07413 5.44906 2.1289 0 0 0 65 33 1 -3.181 4.24534 1.24345 0 0 0 66 33 2 -2.05854 4.24534 1.24345 0 0 0 67 34 1 -4.06175 2.9495 0.313953 0 0 0 68 34 2 -2.93929 2.9495 0.313953 0 0 0 69 35 1 -4.82663 1.57866 -0.626666 0 0 0 70 35 2 -3.70417 1.57866 -0.626666 0 0 0 71 36 1 -5.46548 0.151244 -1.54508 0 0 0 72 36 2 -4.34302 0.151244 -1.54508 0 0 0 73 37 1 -5.97031 -1.31331 -2.40877 0 0 0 74 37 2 -4.84785 -1.31331 -2.40877 0 0 0 75 38 1 -6.33542 -2.79483 -3.18712 0 0 0 76 38 2 -5.21296 -2.79483 -3.18712 0 0 0 77 39 1 -6.55753 -4.27275 -3.85257 0 0 0 78 39 2 -5.43507 -4.27275 -3.85257 0 0 0 79 40 1 -6.63575 -5.72638 -4.38153 0 0 0 80 40 2 -5.51329 -5.72638 -4.38153 0 0 0 81 41 1 -6.57164 -7.13525 -4.75528 0 0 0 82 41 2 -5.44918 -7.13525 -4.75528 0 0 0 83 42 1 -6.36914 -8.47943 -4.96057 0 0 0 84 42 2 -5.24668 -8.47943 -4.96057 0 0 0 85 43 1 -6.03451 -9.7398 -4.99013 0 0 0 86 43 2 -4.91205 -9.7398 -4.99013 0 0 0 87 44 1 -5.57624 -10.8984 -4.84292 0 0 0 88 44 2 -4.45378 -10.8984 -4.84292 0 0 0 89 45 1 -5.00485 -11.9386 -4.52414 0 0 0 90 45 2 -3.88239 -11.9386 -4.52414 0 0 0 91 46 1 -4.33277 -12.8455 -4.04508 0 0 0 92 46 2 -3.21031 -12.8455 -4.04508 0 0 0 93 47 1 -3.57409 -13.606 -3.42274 0 0 0 94 47 2 -2.45163 -13.606 -3.42274 0 0 0 95 48 1 -2.74434 -14.2092 -2.67913 0 0 0 96 48 2 -1.62188 -14.2092 -2.67913 0 0 0 97 49 1 -1.86023 -14.6464 -1.84062 0 0 0 98 49 2 -0.737773 -14.6464 -1.84062 0 0 0 99 50 1 -0.93938 -14.9113 -0.936907 0 0 0 100 50 2 0.18308 -14.9113 -0.936907 0 0 0 101 51 1 -1.83691e-15 -15 -1.83691e-15 0 0 0 102 51 2 1.12246 -15 -1.83691e-15 0 0 0 103 52 1 0.93938 -14.9113 0.936907 0 0 0 104 52 2 2.06184 -14.9113 0.936907 0 0 0 105 53 1 1.86023 -14.6464 1.84062 0 0 0 106 53 2 2.98269 -14.6464 1.84062 0 0 0 107 54 1 2.74434 -14.2092 2.67913 0 0 0 108 54 2 3.8668 -14.2092 2.67913 0 0 0 109 55 1 3.57409 -13.606 3.42274 0 0 0 110 55 2 4.69655 -13.606 3.42274 0 0 0 111 56 1 4.33277 -12.8455 4.04508 0 0 0 112 56 2 5.45523 -12.8455 4.04508 0 0 0 113 57 1 5.00485 -11.9386 4.52414 0 0 0 114 57 2 6.12731 -11.9386 4.52414 0 0 0 115 58 1 5.57624 -10.8984 4.84292 0 0 0 116 58 2 6.6987 -10.8984 4.84292 0 0 0 117 59 1 6.03451 -9.7398 4.99013 0 0 0 118 59 2 7.15697 -9.7398 4.99013 0 0 0 119 60 1 6.36914 -8.47943 4.96057 0 0 0 120 60 2 7.4916 -8.47943 4.96057 0 0 0 121 61 1 6.57164 -7.13525 4.75528 0 0 0 122 61 2 7.6941 -7.13525 4.75528 0 0 0 123 62 1 6.63575 -5.72638 4.38153 0 0 0 124 62 2 7.75821 -5.72638 4.38153 0 0 0 125 63 1 6.55753 -4.27275 3.85257 0 0 0 126 63 2 7.67999 -4.27275 3.85257 0 0 0 127 64 1 6.33542 -2.79483 3.18712 0 0 0 128 64 2 7.45788 -2.79483 3.18712 0 0 0 129 65 1 5.97031 -1.31331 2.40877 0 0 0 130 65 2 7.09277 -1.31331 2.40877 0 0 0 131 66 1 5.46548 0.151244 1.54508 0 0 0 132 66 2 6.58794 0.151244 1.54508 0 0 0 133 67 1 4.82663 1.57866 0.626666 0 0 0 134 67 2 5.94909 1.57866 0.626666 0 0 0 135 68 1 4.06175 2.9495 -0.313953 0 0 0 136 68 2 5.18421 2.9495 -0.313953 0 0 0 137 69 1 3.181 4.24534 -1.24345 0 0 0 138 69 2 4.30346 4.24534 -1.24345 0 0 0 139 70 1 2.19659 5.44906 -2.1289 0 0 0 140 70 2 3.31905 5.44906 -2.1289 0 0 0 141 71 1 1.12257 6.54508 -2.93893 0 0 0 142 71 2 2.24503 6.54508 -2.93893 0 0 0 143 72 1 -0.0253791 7.51962 -3.64484 0 0 0 144 72 2 1.09708 7.51962 -3.64484 0 0 0 145 73 1 -1.23019 8.36086 -4.22164 0 0 0 146 73 2 -0.107731 8.36086 -4.22164 0 0 0 147 74 1 -2.47367 9.05917 -4.64888 0 0 0 148 74 2 -1.35121 9.05917 -4.64888 0 0 0 149 75 1 -3.7368 9.60719 -4.91144 0 0 0 150 75 2 -2.61434 9.60719 -4.91144 0 0 0 151 76 1 -5 10 -5 0 0 0 152 76 2 -3.87754 10 -5 0 0 0 153 77 1 -6.24347 10.2351 -4.91144 0 0 0 154 77 2 -5.12101 10.2351 -4.91144 0 0 0 155 78 1 -7.44747 10.3125 -4.64888 0 0 0 156 78 2 -6.32501 10.3125 -4.64888 0 0 0 157 79 1 -8.59268 10.2347 -4.22164 0 0 0 158 79 2 -7.47022 10.2347 -4.22164 0 0 0 159 80 1 -9.66045 10.0065 -3.64484 0 0 0 160 80 2 -8.53799 10.0065 -3.64484 0 0 0 161 81 1 -10.6331 9.63525 -2.93893 0 0 0 162 81 2 -9.51068 9.63525 -2.93893 0 0 0 163 82 1 -11.4944 9.13031 -2.1289 0 0 0 164 82 2 -10.3719 9.13031 -2.1289 0 0 0 165 83 1 -12.2293 8.50314 -1.24345 0 0 0 166 83 2 -11.1068 8.50314 -1.24345 0 0 0 167 84 1 -12.8248 7.76704 -0.313953 0 0 0 168 84 2 -11.7024 7.76704 -0.313953 0 0 0 169 85 1 -13.2699 6.93693 0.626666 0 0 0 170 85 2 -12.1475 6.93693 0.626666 0 0 0 171 86 1 -13.5557 6.0291 1.54508 0 0 0 172 86 2 -12.4332 6.0291 1.54508 0 0 0 173 87 1 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0 0 198 0 0 0 199 0 0 0 200 0 0 0 Bonds 1 1 1 3 2 1 3 5 3 1 5 7 4 1 7 9 5 1 9 11 6 1 11 13 7 1 13 15 8 1 15 17 9 1 17 19 10 1 19 21 11 1 21 23 12 1 23 25 13 1 25 27 14 1 27 29 15 1 29 31 16 1 31 33 17 1 33 35 18 1 35 37 19 1 37 39 20 1 39 41 21 1 41 43 22 1 43 45 23 1 45 47 24 1 47 49 25 1 49 51 26 1 51 53 27 1 53 55 28 1 55 57 29 1 57 59 30 1 59 61 31 1 61 63 32 1 63 65 33 1 65 67 34 1 67 69 35 1 69 71 36 1 71 73 37 1 73 75 38 1 75 77 39 1 77 79 40 1 79 81 41 1 81 83 42 1 83 85 43 1 85 87 44 1 87 89 45 1 89 91 46 1 91 93 47 1 93 95 48 1 95 97 49 1 97 99 50 1 99 101 51 1 101 103 52 1 103 105 53 1 105 107 54 1 107 109 55 1 109 111 56 1 111 113 57 1 113 115 58 1 115 117 59 1 117 119 60 1 119 121 61 1 121 123 62 1 123 125 63 1 125 127 64 1 127 129 65 1 129 131 66 1 131 133 67 1 133 135 68 1 135 137 69 1 137 139 70 1 139 141 71 1 141 143 72 1 143 145 73 1 145 147 74 1 147 149 75 1 149 151 76 1 151 153 77 1 153 155 78 1 155 157 79 1 157 159 80 1 159 161 81 1 161 163 82 1 163 165 83 1 165 167 84 1 167 169 85 1 169 171 86 1 171 173 87 1 173 175 88 1 175 177 89 1 177 179 90 1 179 181 91 1 181 183 92 1 183 185 93 1 185 187 94 1 187 189 95 1 189 191 96 1 191 193 97 1 193 195 98 1 195 197 99 1 197 199 100 1 199 1 Angles 1 1 1 3 5 2 1 3 5 7 3 1 5 7 9 4 1 7 9 11 5 1 9 11 13 6 1 11 13 15 7 1 13 15 17 8 1 15 17 19 9 1 17 19 21 10 1 19 21 23 11 1 21 23 25 12 1 23 25 27 13 1 25 27 29 14 1 27 29 31 15 1 29 31 33 16 1 31 33 35 17 1 33 35 37 18 1 35 37 39 19 1 37 39 41 20 1 39 41 43 21 1 41 43 45 22 1 43 45 47 23 1 45 47 49 24 1 47 49 51 25 1 49 51 53 26 1 51 53 55 27 1 53 55 57 28 1 55 57 59 29 1 57 59 61 30 1 59 61 63 31 1 61 63 65 32 1 63 65 67 33 1 65 67 69 34 1 67 69 71 35 1 69 71 73 36 1 71 73 75 37 1 73 75 77 38 1 75 77 79 39 1 77 79 81 40 1 79 81 83 41 1 81 83 85 42 1 83 85 87 43 1 85 87 89 44 1 87 89 91 45 1 89 91 93 46 1 91 93 95 47 1 93 95 97 48 1 95 97 99 49 1 97 99 101 50 1 99 101 103 51 1 101 103 105 52 1 103 105 107 53 1 105 107 109 54 1 107 109 111 55 1 109 111 113 56 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118 2 38 37 39 119 2 40 39 41 120 2 42 41 43 121 2 44 43 45 122 2 46 45 47 123 2 48 47 49 124 2 50 49 51 125 2 52 51 53 126 2 54 53 55 127 2 56 55 57 128 2 58 57 59 129 2 60 59 61 130 2 62 61 63 131 2 64 63 65 132 2 66 65 67 133 2 68 67 69 134 2 70 69 71 135 2 72 71 73 136 2 74 73 75 137 2 76 75 77 138 2 78 77 79 139 2 80 79 81 140 2 82 81 83 141 2 84 83 85 142 2 86 85 87 143 2 88 87 89 144 2 90 89 91 145 2 92 91 93 146 2 94 93 95 147 2 96 95 97 148 2 98 97 99 149 2 100 99 101 150 2 102 101 103 151 2 104 103 105 152 2 106 105 107 153 2 108 107 109 154 2 110 109 111 155 2 112 111 113 156 2 114 113 115 157 2 116 115 117 158 2 118 117 119 159 2 120 119 121 160 2 122 121 123 161 2 124 123 125 162 2 126 125 127 163 2 128 127 129 164 2 130 129 131 165 2 132 131 133 166 2 134 133 135 167 2 136 135 137 168 2 138 137 139 169 2 140 139 141 170 2 142 141 143 171 2 144 143 145 172 2 146 145 147 173 2 148 147 149 174 2 150 149 151 175 2 152 151 153 176 2 154 153 155 177 2 156 155 157 178 2 158 157 159 179 2 160 159 161 180 2 162 161 163 181 2 164 163 165 182 2 166 165 167 183 2 168 167 169 184 2 170 169 171 185 2 172 171 173 186 2 174 173 175 187 2 176 175 177 188 2 178 177 179 189 2 180 179 181 190 2 182 181 183 191 2 184 183 185 192 2 186 185 187 193 2 188 187 189 194 2 190 189 191 195 2 192 191 193 196 2 194 193 195 197 2 196 195 197 198 2 198 197 199 199 2 200 199 1 Dihedrals 1 1 2 1 3 4 2 1 4 3 5 6 3 1 6 5 7 8 4 1 8 7 9 10 5 1 10 9 11 12 6 1 12 11 13 14 7 1 14 13 15 16 8 1 16 15 17 18 9 1 18 17 19 20 10 1 20 19 21 22 11 1 22 21 23 24 12 1 24 23 25 26 13 1 26 25 27 28 14 1 28 27 29 30 15 1 30 29 31 32 16 1 32 31 33 34 17 1 34 33 35 36 18 1 36 35 37 38 19 1 38 37 39 40 20 1 40 39 41 42 21 1 42 41 43 44 22 1 44 43 45 46 23 1 46 45 47 48 24 1 48 47 49 50 25 1 50 49 51 52 26 1 52 51 53 54 27 1 54 53 55 56 28 1 56 55 57 58 29 1 58 57 59 60 30 1 60 59 61 62 31 1 62 61 63 64 32 1 64 63 65 66 33 1 66 65 67 68 34 1 68 67 69 70 35 1 70 69 71 72 36 1 72 71 73 74 37 1 74 73 75 76 38 1 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