├── CH.airebo ├── Fig 1.png ├── Fig 2.png ├── README.md ├── grap.data ├── grap.in ├── input_files.m └── stress_strain.m /Fig 1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/nuwan-d/graphene_tensile_test/0a8c83cd5f9a06cf0c891d4f1f7aebf9099d8070/Fig 1.png -------------------------------------------------------------------------------- /Fig 2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/nuwan-d/graphene_tensile_test/0a8c83cd5f9a06cf0c891d4f1f7aebf9099d8070/Fig 2.png -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # Molecular Dynamics Simulation of the Uniaxial Tensile Test of a Graphene Sample in LAMMPS 2 | The first MATLAB script (input_files.m) can be used to create the input files for LAMMPS in order to simulate uniaxial tensile test of a graphene sample shown below. 3 | 4 | 5 | 6 | The second MATLAB script (stress_strain.m) can be used to plot the stress-strain curve shown below. Remove the initial part of the log. lammps file if you want to use the stress_strain.m directly. 7 | 8 | 9 | 10 | More information about the simulation is [given here.](https://www.linkedin.com/pulse/how-perform-uniaxial-tensile-tests-graphene-sample-lammps-dewapriya/) 11 | 12 | -------------------------------------------------------------------------------- /grap.data: -------------------------------------------------------------------------------- 1 | uniaxial tensile test of graphene 2 | 3 | 1008 atoms 4 | 5 | 1 atom types 6 | 7 | #simulation box 8 | -0.698000 49.558000 xlo xhi 9 | -0.604486 50.172316 ylo yhi 10 | -10.000000 10.000000 zlo zhi 11 | 12 | Masses 13 | 14 | 1 12.010000 15 | 16 | Atoms 17 | 18 | 1 1 0.698000 0.000000 0.081472 19 | 2 1 0.000000 1.208971 0.090579 20 | 3 1 0.698000 2.417943 0.012699 21 | 4 1 0.000000 3.626914 0.091338 22 | 5 1 0.698000 4.835886 0.063236 23 | 6 1 0.000000 6.044857 0.009754 24 | 7 1 0.698000 7.253829 0.027850 25 | 8 1 0.000000 8.462800 0.054688 26 | 9 1 0.698000 9.671772 0.095751 27 | 10 1 0.000000 10.880743 0.096489 28 | 11 1 0.698000 12.089715 0.015761 29 | 12 1 0.000000 13.298686 0.097059 30 | 13 1 0.698000 14.507658 0.095717 31 | 14 1 0.000000 15.716629 0.048538 32 | 15 1 0.698000 16.925600 0.080028 33 | 16 1 0.000000 18.134572 0.014189 34 | 17 1 0.698000 19.343543 0.042176 35 | 18 1 0.000000 20.552515 0.091574 36 | 19 1 0.698000 21.761486 0.079221 37 | 20 1 0.000000 22.970458 0.095949 38 | 21 1 0.698000 24.179429 0.065574 39 | 22 1 0.000000 25.388401 0.003571 40 | 23 1 0.698000 26.597372 0.084913 41 | 24 1 0.000000 27.806344 0.093399 42 | 25 1 0.698000 29.015315 0.067874 43 | 26 1 0.000000 30.224287 0.075774 44 | 27 1 0.698000 31.433258 0.074313 45 | 28 1 0.000000 32.642230 0.039223 46 | 29 1 0.698000 33.851201 0.065548 47 | 30 1 0.000000 35.060172 0.017119 48 | 31 1 0.698000 36.269144 0.070605 49 | 32 1 0.000000 37.478115 0.003183 50 | 33 1 0.698000 38.687087 0.027692 51 | 34 1 0.000000 39.896058 0.004617 52 | 35 1 0.698000 41.105030 0.009713 53 | 36 1 0.000000 42.314001 0.082346 54 | 37 1 0.698000 43.522973 0.069483 55 | 38 1 0.000000 44.731944 0.031710 56 | 39 1 0.698000 45.940916 0.095022 57 | 40 1 0.000000 47.149887 0.003445 58 | 41 1 0.698000 48.358859 0.043874 59 | 42 1 0.000000 49.567830 0.038156 60 | 43 1 2.094000 0.000000 0.076552 61 | 44 1 2.792000 1.208971 0.079520 62 | 45 1 2.094000 2.417943 0.018687 63 | 46 1 2.792000 3.626914 0.048976 64 | 47 1 2.094000 4.835886 0.044559 65 | 48 1 2.792000 6.044857 0.064631 66 | 49 1 2.094000 7.253829 0.070936 67 | 50 1 2.792000 8.462800 0.075469 68 | 51 1 2.094000 9.671772 0.027603 69 | 52 1 2.792000 10.880743 0.067970 70 | 53 1 2.094000 12.089715 0.065510 71 | 54 1 2.792000 13.298686 0.016261 72 | 55 1 2.094000 14.507658 0.011900 73 | 56 1 2.792000 15.716629 0.049836 74 | 57 1 2.094000 16.925600 0.095974 75 | 58 1 2.792000 18.134572 0.034039 76 | 59 1 2.094000 19.343543 0.058527 77 | 60 1 2.792000 20.552515 0.022381 78 | 61 1 2.094000 21.761486 0.075127 79 | 62 1 2.792000 22.970458 0.025510 80 | 63 1 2.094000 24.179429 0.050596 81 | 64 1 2.792000 25.388401 0.069908 82 | 65 1 2.094000 26.597372 0.089090 83 | 66 1 2.792000 27.806344 0.095929 84 | 67 1 2.094000 29.015315 0.054722 85 | 68 1 2.792000 30.224287 0.013862 86 | 69 1 2.094000 31.433258 0.014929 87 | 70 1 2.792000 32.642230 0.025751 88 | 71 1 2.094000 33.851201 0.084072 89 | 72 1 2.792000 35.060172 0.025428 90 | 73 1 2.094000 36.269144 0.081428 91 | 74 1 2.792000 37.478115 0.024352 92 | 75 1 2.094000 38.687087 0.092926 93 | 76 1 2.792000 39.896058 0.034998 94 | 77 1 2.094000 41.105030 0.019660 95 | 78 1 2.792000 42.314001 0.025108 96 | 79 1 2.094000 43.522973 0.061604 97 | 80 1 2.792000 44.731944 0.047329 98 | 81 1 2.094000 45.940916 0.035166 99 | 82 1 2.792000 47.149887 0.083083 100 | 83 1 2.094000 48.358859 0.058526 101 | 84 1 2.792000 49.567830 0.054972 102 | 85 1 4.886000 0.000000 0.091719 103 | 86 1 4.188000 1.208971 0.028584 104 | 87 1 4.886000 2.417943 0.075720 105 | 88 1 4.188000 3.626914 0.075373 106 | 89 1 4.886000 4.835886 0.038045 107 | 90 1 4.188000 6.044857 0.056782 108 | 91 1 4.886000 7.253829 0.007585 109 | 92 1 4.188000 8.462800 0.005395 110 | 93 1 4.886000 9.671772 0.053080 111 | 94 1 4.188000 10.880743 0.077917 112 | 95 1 4.886000 12.089715 0.093401 113 | 96 1 4.188000 13.298686 0.012991 114 | 97 1 4.886000 14.507658 0.056882 115 | 98 1 4.188000 15.716629 0.046939 116 | 99 1 4.886000 16.925600 0.001190 117 | 100 1 4.188000 18.134572 0.033712 118 | 101 1 4.886000 19.343543 0.016218 119 | 102 1 4.188000 20.552515 0.079428 120 | 103 1 4.886000 21.761486 0.031122 121 | 104 1 4.188000 22.970458 0.052853 122 | 105 1 4.886000 24.179429 0.016565 123 | 106 1 4.188000 25.388401 0.060198 124 | 107 1 4.886000 26.597372 0.026297 125 | 108 1 4.188000 27.806344 0.065408 126 | 109 1 4.886000 29.015315 0.068921 127 | 110 1 4.188000 30.224287 0.074815 128 | 111 1 4.886000 31.433258 0.045054 129 | 112 1 4.188000 32.642230 0.008382 130 | 113 1 4.886000 33.851201 0.022898 131 | 114 1 4.188000 35.060172 0.091334 132 | 115 1 4.886000 36.269144 0.015238 133 | 116 1 4.188000 37.478115 0.082582 134 | 117 1 4.886000 38.687087 0.053834 135 | 118 1 4.188000 39.896058 0.099613 136 | 119 1 4.886000 41.105030 0.007818 137 | 120 1 4.188000 42.314001 0.044268 138 | 121 1 4.886000 43.522973 0.010665 139 | 122 1 4.188000 44.731944 0.096190 140 | 123 1 4.886000 45.940916 0.000463 141 | 124 1 4.188000 47.149887 0.077491 142 | 125 1 4.886000 48.358859 0.081730 143 | 126 1 4.188000 49.567830 0.086869 144 | 127 1 6.282000 0.000000 0.008444 145 | 128 1 6.980000 1.208971 0.039978 146 | 129 1 6.282000 2.417943 0.025987 147 | 130 1 6.980000 3.626914 0.080007 148 | 131 1 6.282000 4.835886 0.043141 149 | 132 1 6.980000 6.044857 0.091065 150 | 133 1 6.282000 7.253829 0.018185 151 | 134 1 6.980000 8.462800 0.026380 152 | 135 1 6.282000 9.671772 0.014554 153 | 136 1 6.980000 10.880743 0.013607 154 | 137 1 6.282000 12.089715 0.086929 155 | 138 1 6.980000 13.298686 0.057970 156 | 139 1 6.282000 14.507658 0.054986 157 | 140 1 6.980000 15.716629 0.014495 158 | 141 1 6.282000 16.925600 0.085303 159 | 142 1 6.980000 18.134572 0.062206 160 | 143 1 6.282000 19.343543 0.035095 161 | 144 1 6.980000 20.552515 0.051325 162 | 145 1 6.282000 21.761486 0.040181 163 | 146 1 6.980000 22.970458 0.007597 164 | 147 1 6.282000 24.179429 0.023992 165 | 148 1 6.980000 25.388401 0.012332 166 | 149 1 6.282000 26.597372 0.018391 167 | 150 1 6.980000 27.806344 0.023995 168 | 151 1 6.282000 29.015315 0.041727 169 | 152 1 6.980000 30.224287 0.004965 170 | 153 1 6.282000 31.433258 0.090272 171 | 154 1 6.980000 32.642230 0.094479 172 | 155 1 6.282000 33.851201 0.049086 173 | 156 1 6.980000 35.060172 0.048925 174 | 157 1 6.282000 36.269144 0.033772 175 | 158 1 6.980000 37.478115 0.090005 176 | 159 1 6.282000 38.687087 0.036925 177 | 160 1 6.980000 39.896058 0.011120 178 | 161 1 6.282000 41.105030 0.078025 179 | 162 1 6.980000 42.314001 0.038974 180 | 163 1 6.282000 43.522973 0.024169 181 | 164 1 6.980000 44.731944 0.040391 182 | 165 1 6.282000 45.940916 0.009645 183 | 166 1 6.980000 47.149887 0.013197 184 | 167 1 6.282000 48.358859 0.094205 185 | 168 1 6.980000 49.567830 0.095613 186 | 169 1 9.074000 0.000000 0.057521 187 | 170 1 8.376000 1.208971 0.005978 188 | 171 1 9.074000 2.417943 0.023478 189 | 172 1 8.376000 3.626914 0.035316 190 | 173 1 9.074000 4.835886 0.082119 191 | 174 1 8.376000 6.044857 0.001540 192 | 175 1 9.074000 7.253829 0.004302 193 | 176 1 8.376000 8.462800 0.016899 194 | 177 1 9.074000 9.671772 0.064912 195 | 178 1 8.376000 10.880743 0.073172 196 | 179 1 9.074000 12.089715 0.064775 197 | 180 1 8.376000 13.298686 0.045092 198 | 181 1 9.074000 14.507658 0.054701 199 | 182 1 8.376000 15.716629 0.029632 200 | 183 1 9.074000 16.925600 0.074469 201 | 184 1 8.376000 18.134572 0.018896 202 | 185 1 9.074000 19.343543 0.068678 203 | 186 1 8.376000 20.552515 0.018351 204 | 187 1 9.074000 21.761486 0.036848 205 | 188 1 8.376000 22.970458 0.062562 206 | 189 1 9.074000 24.179429 0.078023 207 | 190 1 8.376000 25.388401 0.008113 208 | 191 1 9.074000 26.597372 0.092939 209 | 192 1 8.376000 27.806344 0.077571 210 | 193 1 9.074000 29.015315 0.048679 211 | 194 1 8.376000 30.224287 0.043586 212 | 195 1 9.074000 31.433258 0.044678 213 | 196 1 8.376000 32.642230 0.030635 214 | 197 1 9.074000 33.851201 0.050851 215 | 198 1 8.376000 35.060172 0.051077 216 | 199 1 9.074000 36.269144 0.081763 217 | 200 1 8.376000 37.478115 0.079483 218 | 201 1 9.074000 38.687087 0.064432 219 | 202 1 8.376000 39.896058 0.037861 220 | 203 1 9.074000 41.105030 0.081158 221 | 204 1 8.376000 42.314001 0.053283 222 | 205 1 9.074000 43.522973 0.035073 223 | 206 1 8.376000 44.731944 0.093900 224 | 207 1 9.074000 45.940916 0.087594 225 | 208 1 8.376000 47.149887 0.055016 226 | 209 1 9.074000 48.358859 0.062248 227 | 210 1 8.376000 49.567830 0.058704 228 | 211 1 10.470000 0.000000 0.020774 229 | 212 1 11.168000 1.208971 0.030125 230 | 213 1 10.470000 2.417943 0.047092 231 | 214 1 11.168000 3.626914 0.023049 232 | 215 1 10.470000 4.835886 0.084431 233 | 216 1 11.168000 6.044857 0.019476 234 | 217 1 10.470000 7.253829 0.022592 235 | 218 1 11.168000 8.462800 0.017071 236 | 219 1 10.470000 9.671772 0.022766 237 | 220 1 11.168000 10.880743 0.043570 238 | 221 1 10.470000 12.089715 0.031110 239 | 222 1 11.168000 13.298686 0.092338 240 | 223 1 10.470000 14.507658 0.043021 241 | 224 1 11.168000 15.716629 0.018482 242 | 225 1 10.470000 16.925600 0.090488 243 | 226 1 11.168000 18.134572 0.097975 244 | 227 1 10.470000 19.343543 0.043887 245 | 228 1 11.168000 20.552515 0.011112 246 | 229 1 10.470000 21.761486 0.025806 247 | 230 1 11.168000 22.970458 0.040872 248 | 231 1 10.470000 24.179429 0.059490 249 | 232 1 11.168000 25.388401 0.026221 250 | 233 1 10.470000 26.597372 0.060284 251 | 234 1 11.168000 27.806344 0.071122 252 | 235 1 10.470000 29.015315 0.022175 253 | 236 1 11.168000 30.224287 0.011742 254 | 237 1 10.470000 31.433258 0.029668 255 | 238 1 11.168000 32.642230 0.031878 256 | 239 1 10.470000 33.851201 0.042417 257 | 240 1 11.168000 35.060172 0.050786 258 | 241 1 10.470000 36.269144 0.008552 259 | 242 1 11.168000 37.478115 0.026248 260 | 243 1 10.470000 38.687087 0.080101 261 | 244 1 11.168000 39.896058 0.002922 262 | 245 1 10.470000 41.105030 0.092885 263 | 246 1 11.168000 42.314001 0.073033 264 | 247 1 10.470000 43.522973 0.048861 265 | 248 1 11.168000 44.731944 0.057853 266 | 249 1 10.470000 45.940916 0.023728 267 | 250 1 11.168000 47.149887 0.045885 268 | 251 1 10.470000 48.358859 0.096309 269 | 252 1 11.168000 49.567830 0.054681 270 | 253 1 13.262000 0.000000 0.052114 271 | 254 1 12.564000 1.208971 0.023159 272 | 255 1 13.262000 2.417943 0.048890 273 | 256 1 12.564000 3.626914 0.062406 274 | 257 1 13.262000 4.835886 0.067914 275 | 258 1 12.564000 6.044857 0.039552 276 | 259 1 13.262000 7.253829 0.036744 277 | 260 1 12.564000 8.462800 0.098798 278 | 261 1 13.262000 9.671772 0.003774 279 | 262 1 12.564000 10.880743 0.088517 280 | 263 1 13.262000 12.089715 0.091329 281 | 264 1 12.564000 13.298686 0.079618 282 | 265 1 13.262000 14.507658 0.009871 283 | 266 1 12.564000 15.716629 0.026187 284 | 267 1 13.262000 16.925600 0.033536 285 | 268 1 12.564000 18.134572 0.067973 286 | 269 1 13.262000 19.343543 0.013655 287 | 270 1 12.564000 20.552515 0.072123 288 | 271 1 13.262000 21.761486 0.010676 289 | 272 1 12.564000 22.970458 0.065376 290 | 273 1 13.262000 24.179429 0.049417 291 | 274 1 12.564000 25.388401 0.077905 292 | 275 1 13.262000 26.597372 0.071504 293 | 276 1 12.564000 27.806344 0.090372 294 | 277 1 13.262000 29.015315 0.089092 295 | 278 1 12.564000 30.224287 0.033416 296 | 279 1 13.262000 31.433258 0.069875 297 | 280 1 12.564000 32.642230 0.019781 298 | 281 1 13.262000 33.851201 0.003054 299 | 282 1 12.564000 35.060172 0.074407 300 | 283 1 13.262000 36.269144 0.050002 301 | 284 1 12.564000 37.478115 0.047992 302 | 285 1 13.262000 38.687087 0.090472 303 | 286 1 12.564000 39.896058 0.060987 304 | 287 1 13.262000 41.105030 0.061767 305 | 288 1 12.564000 42.314001 0.085944 306 | 289 1 13.262000 43.522973 0.080549 307 | 290 1 12.564000 44.731944 0.057672 308 | 291 1 13.262000 45.940916 0.018292 309 | 292 1 12.564000 47.149887 0.023993 310 | 293 1 13.262000 48.358859 0.088651 311 | 294 1 12.564000 49.567830 0.002867 312 | 295 1 14.658000 0.000000 0.048990 313 | 296 1 15.356000 1.208971 0.016793 314 | 297 1 14.658000 2.417943 0.097868 315 | 298 1 15.356000 3.626914 0.071269 316 | 299 1 14.658000 4.835886 0.050047 317 | 300 1 15.356000 6.044857 0.047109 318 | 301 1 14.658000 7.253829 0.005962 319 | 302 1 15.356000 8.462800 0.068197 320 | 303 1 14.658000 9.671772 0.004243 321 | 304 1 15.356000 10.880743 0.007145 322 | 305 1 14.658000 12.089715 0.052165 323 | 306 1 15.356000 13.298686 0.009673 324 | 307 1 14.658000 14.507658 0.081815 325 | 308 1 15.356000 15.716629 0.081755 326 | 309 1 14.658000 16.925600 0.072244 327 | 310 1 15.356000 18.134572 0.014987 328 | 311 1 14.658000 19.343543 0.065961 329 | 312 1 15.356000 20.552515 0.051859 330 | 313 1 14.658000 21.761486 0.097297 331 | 314 1 15.356000 22.970458 0.064899 332 | 315 1 14.658000 24.179429 0.080033 333 | 316 1 15.356000 25.388401 0.045380 334 | 317 1 14.658000 26.597372 0.043239 335 | 318 1 15.356000 27.806344 0.082531 336 | 319 1 14.658000 29.015315 0.008347 337 | 320 1 15.356000 30.224287 0.013317 338 | 321 1 14.658000 31.433258 0.017339 339 | 322 1 15.356000 32.642230 0.039094 340 | 323 1 14.658000 33.851201 0.083138 341 | 324 1 15.356000 35.060172 0.080336 342 | 325 1 14.658000 36.269144 0.006047 343 | 326 1 15.356000 37.478115 0.039926 344 | 327 1 14.658000 38.687087 0.052688 345 | 328 1 15.356000 39.896058 0.041680 346 | 329 1 14.658000 41.105030 0.065686 347 | 330 1 15.356000 42.314001 0.062797 348 | 331 1 14.658000 43.522973 0.029198 349 | 332 1 15.356000 44.731944 0.043165 350 | 333 1 14.658000 45.940916 0.001549 351 | 334 1 15.356000 47.149887 0.098406 352 | 335 1 14.658000 48.358859 0.016717 353 | 336 1 15.356000 49.567830 0.010622 354 | 337 1 17.450000 0.000000 0.037241 355 | 338 1 16.752000 1.208971 0.019812 356 | 339 1 17.450000 2.417943 0.048969 357 | 340 1 16.752000 3.626914 0.033949 358 | 341 1 17.450000 4.835886 0.095163 359 | 342 1 16.752000 6.044857 0.092033 360 | 343 1 17.450000 7.253829 0.005268 361 | 344 1 16.752000 8.462800 0.073786 362 | 345 1 17.450000 9.671772 0.026912 363 | 346 1 16.752000 10.880743 0.042284 364 | 347 1 17.450000 12.089715 0.054787 365 | 348 1 16.752000 13.298686 0.094274 366 | 349 1 17.450000 14.507658 0.041774 367 | 350 1 16.752000 15.716629 0.098305 368 | 351 1 17.450000 16.925600 0.030145 369 | 352 1 16.752000 18.134572 0.070110 370 | 353 1 17.450000 19.343543 0.066634 371 | 354 1 16.752000 20.552515 0.053913 372 | 355 1 17.450000 21.761486 0.069811 373 | 356 1 16.752000 22.970458 0.066653 374 | 357 1 17.450000 24.179429 0.017813 375 | 358 1 16.752000 25.388401 0.012801 376 | 359 1 17.450000 26.597372 0.099908 377 | 360 1 16.752000 27.806344 0.017112 378 | 361 1 17.450000 29.015315 0.003260 379 | 362 1 16.752000 30.224287 0.056120 380 | 363 1 17.450000 31.433258 0.088187 381 | 364 1 16.752000 32.642230 0.066918 382 | 365 1 17.450000 33.851201 0.019043 383 | 366 1 16.752000 35.060172 0.036892 384 | 367 1 17.450000 36.269144 0.046073 385 | 368 1 16.752000 37.478115 0.098164 386 | 369 1 17.450000 38.687087 0.015640 387 | 370 1 16.752000 39.896058 0.085552 388 | 371 1 17.450000 41.105030 0.064476 389 | 372 1 16.752000 42.314001 0.037627 390 | 373 1 17.450000 43.522973 0.019092 391 | 374 1 16.752000 44.731944 0.042825 392 | 375 1 17.450000 45.940916 0.048202 393 | 376 1 16.752000 47.149887 0.012061 394 | 377 1 17.450000 48.358859 0.058951 395 | 378 1 16.752000 49.567830 0.022619 396 | 379 1 18.846000 0.000000 0.038462 397 | 380 1 19.544000 1.208971 0.058299 398 | 381 1 18.846000 2.417943 0.025181 399 | 382 1 19.544000 3.626914 0.029044 400 | 383 1 18.846000 4.835886 0.061709 401 | 384 1 19.544000 6.044857 0.026528 402 | 385 1 18.846000 7.253829 0.082438 403 | 386 1 19.544000 8.462800 0.098266 404 | 387 1 18.846000 9.671772 0.073025 405 | 388 1 19.544000 10.880743 0.034388 406 | 389 1 18.846000 12.089715 0.058407 407 | 390 1 19.544000 13.298686 0.010777 408 | 391 1 18.846000 14.507658 0.090631 409 | 392 1 19.544000 15.716629 0.087965 410 | 393 1 18.846000 16.925600 0.081776 411 | 394 1 19.544000 18.134572 0.026073 412 | 395 1 18.846000 19.343543 0.059436 413 | 396 1 19.544000 20.552515 0.002251 414 | 397 1 18.846000 21.761486 0.042526 415 | 398 1 19.544000 22.970458 0.031272 416 | 399 1 18.846000 24.179429 0.016148 417 | 400 1 19.544000 25.388401 0.017877 418 | 401 1 18.846000 26.597372 0.042289 419 | 402 1 19.544000 27.806344 0.009423 420 | 403 1 18.846000 29.015315 0.059852 421 | 404 1 19.544000 30.224287 0.047092 422 | 405 1 18.846000 31.433258 0.069595 423 | 406 1 19.544000 32.642230 0.069989 424 | 407 1 18.846000 33.851201 0.063853 425 | 408 1 19.544000 35.060172 0.003360 426 | 409 1 18.846000 36.269144 0.006881 427 | 410 1 19.544000 37.478115 0.031960 428 | 411 1 18.846000 38.687087 0.053086 429 | 412 1 19.544000 39.896058 0.065445 430 | 413 1 18.846000 41.105030 0.040762 431 | 414 1 19.544000 42.314001 0.081998 432 | 415 1 18.846000 43.522973 0.071836 433 | 416 1 19.544000 44.731944 0.096865 434 | 417 1 18.846000 45.940916 0.053133 435 | 418 1 19.544000 47.149887 0.032515 436 | 419 1 18.846000 48.358859 0.010563 437 | 420 1 19.544000 49.567830 0.061096 438 | 421 1 21.638000 0.000000 0.077880 439 | 422 1 20.940000 1.208971 0.042345 440 | 423 1 21.638000 2.417943 0.009082 441 | 424 1 20.940000 3.626914 0.026647 442 | 425 1 21.638000 4.835886 0.015366 443 | 426 1 20.940000 6.044857 0.028101 444 | 427 1 21.638000 7.253829 0.044009 445 | 428 1 20.940000 8.462800 0.052714 446 | 429 1 21.638000 9.671772 0.045742 447 | 430 1 20.940000 10.880743 0.087537 448 | 431 1 21.638000 12.089715 0.051805 449 | 432 1 20.940000 13.298686 0.094362 450 | 433 1 21.638000 14.507658 0.063771 451 | 434 1 20.940000 15.716629 0.095769 452 | 435 1 21.638000 16.925600 0.024071 453 | 436 1 20.940000 18.134572 0.067612 454 | 437 1 21.638000 19.343543 0.028906 455 | 438 1 20.940000 20.552515 0.067181 456 | 439 1 21.638000 21.761486 0.069514 457 | 440 1 20.940000 22.970458 0.006799 458 | 441 1 21.638000 24.179429 0.025479 459 | 442 1 20.940000 25.388401 0.022404 460 | 443 1 21.638000 26.597372 0.066783 461 | 444 1 20.940000 27.806344 0.084439 462 | 445 1 21.638000 29.015315 0.034446 463 | 446 1 20.940000 30.224287 0.078052 464 | 447 1 21.638000 31.433258 0.067533 465 | 448 1 20.940000 32.642230 0.000672 466 | 449 1 21.638000 33.851201 0.060217 467 | 450 1 20.940000 35.060172 0.038677 468 | 451 1 21.638000 36.269144 0.091599 469 | 452 1 20.940000 37.478115 0.000115 470 | 453 1 21.638000 38.687087 0.046245 471 | 454 1 20.940000 39.896058 0.042435 472 | 455 1 21.638000 41.105030 0.046092 473 | 456 1 20.940000 42.314001 0.077016 474 | 457 1 21.638000 43.522973 0.032247 475 | 458 1 20.940000 44.731944 0.078474 476 | 459 1 21.638000 45.940916 0.047136 477 | 460 1 20.940000 47.149887 0.003576 478 | 461 1 21.638000 48.358859 0.017587 479 | 462 1 20.940000 49.567830 0.072176 480 | 463 1 23.034000 0.000000 0.047349 481 | 464 1 23.732000 1.208971 0.015272 482 | 465 1 23.034000 2.417943 0.034112 483 | 466 1 23.732000 3.626914 0.060739 484 | 467 1 23.034000 4.835886 0.019175 485 | 468 1 23.732000 6.044857 0.073843 486 | 469 1 23.034000 7.253829 0.024285 487 | 470 1 23.732000 8.462800 0.091742 488 | 471 1 23.034000 9.671772 0.026906 489 | 472 1 23.732000 10.880743 0.076550 490 | 473 1 23.034000 12.089715 0.018866 491 | 474 1 23.732000 13.298686 0.028750 492 | 475 1 23.034000 14.507658 0.009111 493 | 476 1 23.732000 15.716629 0.057621 494 | 477 1 23.034000 16.925600 0.068336 495 | 478 1 23.732000 18.134572 0.054659 496 | 479 1 23.034000 19.343543 0.042573 497 | 480 1 23.732000 20.552515 0.064444 498 | 481 1 23.034000 21.761486 0.064762 499 | 482 1 23.732000 22.970458 0.067902 500 | 483 1 23.034000 24.179429 0.063579 501 | 484 1 23.732000 25.388401 0.094517 502 | 485 1 23.034000 26.597372 0.020893 503 | 486 1 23.732000 27.806344 0.070928 504 | 487 1 23.034000 29.015315 0.023623 505 | 488 1 23.732000 30.224287 0.011940 506 | 489 1 23.034000 31.433258 0.060730 507 | 490 1 23.732000 32.642230 0.045014 508 | 491 1 23.034000 33.851201 0.045873 509 | 492 1 23.732000 35.060172 0.066194 510 | 493 1 23.034000 36.269144 0.077029 511 | 494 1 23.732000 37.478115 0.035022 512 | 495 1 23.034000 38.687087 0.066201 513 | 496 1 23.732000 39.896058 0.041616 514 | 497 1 23.034000 41.105030 0.084193 515 | 498 1 23.732000 42.314001 0.083292 516 | 499 1 23.034000 43.522973 0.025644 517 | 500 1 23.732000 44.731944 0.061346 518 | 501 1 23.034000 45.940916 0.058225 519 | 502 1 23.732000 47.149887 0.054074 520 | 503 1 23.034000 48.358859 0.086994 521 | 504 1 23.732000 49.567830 0.026478 522 | 505 1 25.826000 0.000000 0.031807 523 | 506 1 25.128000 1.208971 0.011921 524 | 507 1 25.826000 2.417943 0.093983 525 | 508 1 25.128000 3.626914 0.064555 526 | 509 1 25.826000 4.835886 0.047946 527 | 510 1 25.128000 6.044857 0.063932 528 | 511 1 25.826000 7.253829 0.054472 529 | 512 1 25.128000 8.462800 0.064731 530 | 513 1 25.826000 9.671772 0.054389 531 | 514 1 25.128000 10.880743 0.072105 532 | 515 1 25.826000 12.089715 0.052250 533 | 516 1 25.128000 13.298686 0.099370 534 | 517 1 25.826000 14.507658 0.021868 535 | 518 1 25.128000 15.716629 0.010580 536 | 519 1 25.826000 16.925600 0.010970 537 | 520 1 25.128000 18.134572 0.006359 538 | 521 1 25.826000 19.343543 0.040458 539 | 522 1 25.128000 20.552515 0.044837 540 | 523 1 25.826000 21.761486 0.036582 541 | 524 1 25.128000 22.970458 0.076350 542 | 525 1 25.826000 24.179429 0.062790 543 | 526 1 25.128000 25.388401 0.077198 544 | 527 1 25.826000 26.597372 0.093285 545 | 528 1 25.128000 27.806344 0.097274 546 | 529 1 25.826000 29.015315 0.019203 547 | 530 1 25.128000 30.224287 0.013887 548 | 531 1 25.826000 31.433258 0.069627 549 | 532 1 25.128000 32.642230 0.009382 550 | 533 1 25.826000 33.851201 0.052540 551 | 534 1 25.128000 35.060172 0.053034 552 | 535 1 25.826000 36.269144 0.086114 553 | 536 1 25.128000 37.478115 0.048485 554 | 537 1 25.826000 38.687087 0.039346 555 | 538 1 25.128000 39.896058 0.067143 556 | 539 1 25.826000 41.105030 0.074126 557 | 540 1 25.128000 42.314001 0.052005 558 | 541 1 25.826000 43.522973 0.034771 559 | 542 1 25.128000 44.731944 0.015000 560 | 543 1 25.826000 45.940916 0.058609 561 | 544 1 25.128000 47.149887 0.026215 562 | 545 1 25.826000 48.358859 0.004445 563 | 546 1 25.128000 49.567830 0.075493 564 | 547 1 27.222000 0.000000 0.024279 565 | 548 1 27.920000 1.208971 0.044240 566 | 549 1 27.222000 2.417943 0.068780 567 | 550 1 27.920000 3.626914 0.035923 568 | 551 1 27.222000 4.835886 0.073634 569 | 552 1 27.920000 6.044857 0.039471 570 | 553 1 27.222000 7.253829 0.068342 571 | 554 1 27.920000 8.462800 0.070405 572 | 555 1 27.222000 9.671772 0.044231 573 | 556 1 27.920000 10.880743 0.001958 574 | 557 1 27.222000 12.089715 0.033086 575 | 558 1 27.920000 13.298686 0.042431 576 | 559 1 27.222000 14.507658 0.027027 577 | 560 1 27.920000 15.716629 0.019705 578 | 561 1 27.222000 16.925600 0.082172 579 | 562 1 27.920000 18.134572 0.042992 580 | 563 1 27.222000 19.343543 0.088777 581 | 564 1 27.920000 20.552515 0.039118 582 | 565 1 27.222000 21.761486 0.076911 583 | 566 1 27.920000 22.970458 0.039679 584 | 567 1 27.222000 24.179429 0.080851 585 | 568 1 27.920000 25.388401 0.075508 586 | 569 1 27.222000 26.597372 0.037740 587 | 570 1 27.920000 27.806344 0.021602 588 | 571 1 27.222000 29.015315 0.079041 589 | 572 1 27.920000 30.224287 0.094930 590 | 573 1 27.222000 31.433258 0.032757 591 | 574 1 27.920000 32.642230 0.067126 592 | 575 1 27.222000 33.851201 0.043864 593 | 576 1 27.920000 35.060172 0.083350 594 | 577 1 27.222000 36.269144 0.076885 595 | 578 1 27.920000 37.478115 0.016725 596 | 579 1 27.222000 38.687087 0.086198 597 | 580 1 27.920000 39.896058 0.098987 598 | 581 1 27.222000 41.105030 0.051442 599 | 582 1 27.920000 42.314001 0.088428 600 | 583 1 27.222000 43.522973 0.058803 601 | 584 1 27.920000 44.731944 0.015475 602 | 585 1 27.222000 45.940916 0.019986 603 | 586 1 27.920000 47.149887 0.040695 604 | 587 1 27.222000 48.358859 0.074871 605 | 588 1 27.920000 49.567830 0.082558 606 | 589 1 30.014000 0.000000 0.078996 607 | 590 1 29.316000 1.208971 0.031852 608 | 591 1 30.014000 2.417943 0.053406 609 | 592 1 29.316000 3.626914 0.008995 610 | 593 1 30.014000 4.835886 0.011171 611 | 594 1 29.316000 6.044857 0.013629 612 | 595 1 30.014000 7.253829 0.067865 613 | 596 1 29.316000 8.462800 0.049518 614 | 597 1 30.014000 9.671772 0.018971 615 | 598 1 29.316000 10.880743 0.049501 616 | 599 1 30.014000 12.089715 0.014761 617 | 600 1 29.316000 13.298686 0.005497 618 | 601 1 30.014000 14.507658 0.085071 619 | 602 1 29.316000 15.716629 0.056056 620 | 603 1 30.014000 16.925600 0.092961 621 | 604 1 29.316000 18.134572 0.069667 622 | 605 1 30.014000 19.343543 0.058279 623 | 606 1 29.316000 20.552515 0.081540 624 | 607 1 30.014000 21.761486 0.087901 625 | 608 1 29.316000 22.970458 0.098891 626 | 609 1 30.014000 24.179429 0.000052 627 | 610 1 29.316000 25.388401 0.086544 628 | 611 1 30.014000 26.597372 0.061257 629 | 612 1 29.316000 27.806344 0.098995 630 | 613 1 30.014000 29.015315 0.052768 631 | 614 1 29.316000 30.224287 0.047952 632 | 615 1 30.014000 31.433258 0.080135 633 | 616 1 29.316000 32.642230 0.022784 634 | 617 1 30.014000 33.851201 0.049809 635 | 618 1 29.316000 35.060172 0.090085 636 | 619 1 30.014000 36.269144 0.057466 637 | 620 1 29.316000 37.478115 0.084518 638 | 621 1 30.014000 38.687087 0.073864 639 | 622 1 29.316000 39.896058 0.058599 640 | 623 1 30.014000 41.105030 0.024673 641 | 624 1 29.316000 42.314001 0.066642 642 | 625 1 30.014000 43.522973 0.008348 643 | 626 1 29.316000 44.731944 0.062596 644 | 627 1 30.014000 45.940916 0.066094 645 | 628 1 29.316000 47.149887 0.072975 646 | 629 1 30.014000 48.358859 0.089075 647 | 630 1 29.316000 49.567830 0.098230 648 | 631 1 31.410000 0.000000 0.076903 649 | 632 1 32.108000 1.208971 0.058145 650 | 633 1 31.410000 2.417943 0.092831 651 | 634 1 32.108000 3.626914 0.058009 652 | 635 1 31.410000 4.835886 0.001698 653 | 636 1 32.108000 6.044857 0.012086 654 | 637 1 31.410000 7.253829 0.086271 655 | 638 1 32.108000 8.462800 0.048430 656 | 639 1 31.410000 9.671772 0.084486 657 | 640 1 32.108000 10.880743 0.020941 658 | 641 1 31.410000 12.089715 0.055229 659 | 642 1 32.108000 13.298686 0.062988 660 | 643 1 31.410000 14.507658 0.003199 661 | 644 1 32.108000 15.716629 0.061471 662 | 645 1 31.410000 16.925600 0.036241 663 | 646 1 32.108000 18.134572 0.004953 664 | 647 1 31.410000 19.343543 0.048957 665 | 648 1 32.108000 20.552515 0.019251 666 | 649 1 31.410000 21.761486 0.012308 667 | 650 1 32.108000 22.970458 0.020549 668 | 651 1 31.410000 24.179429 0.014651 669 | 652 1 32.108000 25.388401 0.018907 670 | 653 1 31.410000 26.597372 0.004265 671 | 654 1 32.108000 27.806344 0.063520 672 | 655 1 31.410000 29.015315 0.028187 673 | 656 1 32.108000 30.224287 0.053860 674 | 657 1 31.410000 31.433258 0.069516 675 | 658 1 32.108000 32.642230 0.049912 676 | 659 1 31.410000 33.851201 0.053580 677 | 660 1 32.108000 35.060172 0.044518 678 | 661 1 31.410000 36.269144 0.012393 679 | 662 1 32.108000 37.478115 0.049036 680 | 663 1 31.410000 38.687087 0.085300 681 | 664 1 32.108000 39.896058 0.087393 682 | 665 1 31.410000 41.105030 0.027029 683 | 666 1 32.108000 42.314001 0.020846 684 | 667 1 31.410000 43.522973 0.056498 685 | 668 1 32.108000 44.731944 0.064031 686 | 669 1 31.410000 45.940916 0.041703 687 | 670 1 32.108000 47.149887 0.020598 688 | 671 1 31.410000 48.358859 0.094793 689 | 672 1 32.108000 49.567830 0.008207 690 | 673 1 34.202000 0.000000 0.010571 691 | 674 1 33.504000 1.208971 0.014204 692 | 675 1 34.202000 2.417943 0.016646 693 | 676 1 33.504000 3.626914 0.062096 694 | 677 1 34.202000 4.835886 0.057371 695 | 678 1 33.504000 6.044857 0.005208 696 | 679 1 34.202000 7.253829 0.093120 697 | 680 1 33.504000 8.462800 0.072866 698 | 681 1 34.202000 9.671772 0.073784 699 | 682 1 33.504000 10.880743 0.006340 700 | 683 1 34.202000 12.089715 0.086044 701 | 684 1 33.504000 13.298686 0.093441 702 | 685 1 34.202000 14.507658 0.098440 703 | 686 1 33.504000 15.716629 0.085894 704 | 687 1 34.202000 16.925600 0.078556 705 | 688 1 33.504000 18.134572 0.051338 706 | 689 1 34.202000 19.343543 0.017760 707 | 690 1 33.504000 20.552515 0.039859 708 | 691 1 34.202000 21.761486 0.013393 709 | 692 1 33.504000 22.970458 0.003089 710 | 693 1 34.202000 24.179429 0.093914 711 | 694 1 33.504000 25.388401 0.030131 712 | 695 1 34.202000 26.597372 0.029553 713 | 696 1 33.504000 27.806344 0.033294 714 | 697 1 34.202000 29.015315 0.046707 715 | 698 1 33.504000 30.224287 0.064820 716 | 699 1 34.202000 31.433258 0.002523 717 | 700 1 33.504000 32.642230 0.084221 718 | 701 1 34.202000 33.851201 0.055903 719 | 702 1 33.504000 35.060172 0.085410 720 | 703 1 34.202000 36.269144 0.034788 721 | 704 1 33.504000 37.478115 0.044603 722 | 705 1 34.202000 38.687087 0.005424 723 | 706 1 33.504000 39.896058 0.017711 724 | 707 1 34.202000 41.105030 0.066281 725 | 708 1 33.504000 42.314001 0.033083 726 | 709 1 34.202000 43.522973 0.089849 727 | 710 1 33.504000 44.731944 0.011816 728 | 711 1 34.202000 45.940916 0.098842 729 | 712 1 33.504000 47.149887 0.053998 730 | 713 1 34.202000 48.358859 0.070692 731 | 714 1 33.504000 49.567830 0.099949 732 | 715 1 35.598000 0.000000 0.028785 733 | 716 1 36.296000 1.208971 0.041452 734 | 717 1 35.598000 2.417943 0.046484 735 | 718 1 36.296000 3.626914 0.076396 736 | 719 1 35.598000 4.835886 0.081820 737 | 720 1 36.296000 6.044857 0.010022 738 | 721 1 35.598000 7.253829 0.017812 739 | 722 1 36.296000 8.462800 0.035963 740 | 723 1 35.598000 9.671772 0.005670 741 | 724 1 36.296000 10.880743 0.052189 742 | 725 1 35.598000 12.089715 0.033585 743 | 726 1 36.296000 13.298686 0.017567 744 | 727 1 35.598000 14.507658 0.020895 745 | 728 1 36.296000 15.716629 0.090515 746 | 729 1 35.598000 16.925600 0.067539 747 | 730 1 36.296000 18.134572 0.046847 748 | 731 1 35.598000 19.343543 0.091213 749 | 732 1 36.296000 20.552515 0.010401 750 | 733 1 35.598000 21.761486 0.074555 751 | 734 1 36.296000 22.970458 0.073627 752 | 735 1 35.598000 24.179429 0.056186 753 | 736 1 36.296000 25.388401 0.018419 754 | 737 1 35.598000 26.597372 0.059721 755 | 738 1 36.296000 27.806344 0.029994 756 | 739 1 35.598000 29.015315 0.013412 757 | 740 1 36.296000 30.224287 0.021260 758 | 741 1 35.598000 31.433258 0.089494 759 | 742 1 36.296000 32.642230 0.007145 760 | 743 1 35.598000 33.851201 0.024249 761 | 744 1 36.296000 35.060172 0.005375 762 | 745 1 35.598000 36.269144 0.044172 763 | 746 1 36.296000 37.478115 0.001328 764 | 747 1 35.598000 38.687087 0.089719 765 | 748 1 36.296000 39.896058 0.019666 766 | 749 1 35.598000 41.105030 0.009337 767 | 750 1 36.296000 42.314001 0.030737 768 | 751 1 35.598000 43.522973 0.045606 769 | 752 1 36.296000 44.731944 0.010167 770 | 753 1 35.598000 45.940916 0.099539 771 | 754 1 36.296000 47.149887 0.033209 772 | 755 1 35.598000 48.358859 0.029735 773 | 756 1 36.296000 49.567830 0.006205 774 | 757 1 38.390000 0.000000 0.029824 775 | 758 1 37.692000 1.208971 0.004635 776 | 759 1 38.390000 2.417943 0.050543 777 | 760 1 37.692000 3.626914 0.076143 778 | 761 1 38.390000 4.835886 0.063107 779 | 762 1 37.692000 6.044857 0.008989 780 | 763 1 38.390000 7.253829 0.008086 781 | 764 1 37.692000 8.462800 0.077724 782 | 765 1 38.390000 9.671772 0.090513 783 | 766 1 37.692000 10.880743 0.053377 784 | 767 1 38.390000 12.089715 0.010915 785 | 768 1 37.692000 13.298686 0.082581 786 | 769 1 38.390000 14.507658 0.033810 787 | 770 1 37.692000 15.716629 0.029397 788 | 771 1 38.390000 16.925600 0.074631 789 | 772 1 37.692000 18.134572 0.001034 790 | 773 1 38.390000 19.343543 0.004845 791 | 774 1 37.692000 20.552515 0.066792 792 | 775 1 38.390000 21.761486 0.060347 793 | 776 1 37.692000 22.970458 0.052610 794 | 777 1 38.390000 24.179429 0.072971 795 | 778 1 37.692000 25.388401 0.070725 796 | 779 1 38.390000 26.597372 0.078138 797 | 780 1 37.692000 27.806344 0.028798 798 | 781 1 38.390000 29.015315 0.069253 799 | 782 1 37.692000 30.224287 0.055667 800 | 783 1 38.390000 31.433258 0.039652 801 | 784 1 37.692000 32.642230 0.006159 802 | 785 1 38.390000 33.851201 0.078018 803 | 786 1 37.692000 35.060172 0.033758 804 | 787 1 38.390000 36.269144 0.060787 805 | 788 1 37.692000 37.478115 0.074125 806 | 789 1 38.390000 38.687087 0.010481 807 | 790 1 37.692000 39.896058 0.012789 808 | 791 1 38.390000 41.105030 0.054954 809 | 792 1 37.692000 42.314001 0.048523 810 | 793 1 38.390000 43.522973 0.089048 811 | 794 1 37.692000 44.731944 0.079896 812 | 795 1 38.390000 45.940916 0.073434 813 | 796 1 37.692000 47.149887 0.005133 814 | 797 1 38.390000 48.358859 0.007289 815 | 798 1 37.692000 49.567830 0.008853 816 | 799 1 39.786000 0.000000 0.079835 817 | 800 1 40.484000 1.208971 0.094301 818 | 801 1 39.786000 2.417943 0.068372 819 | 802 1 40.484000 3.626914 0.013208 820 | 803 1 39.786000 4.835886 0.072272 821 | 804 1 40.484000 6.044857 0.011035 822 | 805 1 39.786000 7.253829 0.011749 823 | 806 1 40.484000 8.462800 0.064072 824 | 807 1 39.786000 9.671772 0.032881 825 | 808 1 40.484000 10.880743 0.065381 826 | 809 1 39.786000 12.089715 0.074913 827 | 810 1 40.484000 13.298686 0.058319 828 | 811 1 39.786000 14.507658 0.074003 829 | 812 1 40.484000 15.716629 0.023483 830 | 813 1 39.786000 16.925600 0.073496 831 | 814 1 40.484000 18.134572 0.097060 832 | 815 1 39.786000 19.343543 0.086693 833 | 816 1 40.484000 20.552515 0.008623 834 | 817 1 39.786000 21.761486 0.036644 835 | 818 1 40.484000 22.970458 0.036920 836 | 819 1 39.786000 24.179429 0.068503 837 | 820 1 40.484000 25.388401 0.059794 838 | 821 1 39.786000 26.597372 0.078936 839 | 822 1 40.484000 27.806344 0.036765 840 | 823 1 39.786000 29.015315 0.020603 841 | 824 1 40.484000 30.224287 0.008667 842 | 825 1 39.786000 31.433258 0.077193 843 | 826 1 40.484000 32.642230 0.020567 844 | 827 1 39.786000 33.851201 0.038827 845 | 828 1 40.484000 35.060172 0.055178 846 | 829 1 39.786000 36.269144 0.022895 847 | 830 1 40.484000 37.478115 0.064194 848 | 831 1 39.786000 38.687087 0.048448 849 | 832 1 40.484000 39.896058 0.015185 850 | 833 1 39.786000 41.105030 0.078193 851 | 834 1 40.484000 42.314001 0.010061 852 | 835 1 39.786000 43.522973 0.029407 853 | 836 1 40.484000 44.731944 0.023737 854 | 837 1 39.786000 45.940916 0.053087 855 | 838 1 40.484000 47.149887 0.009150 856 | 839 1 39.786000 48.358859 0.040532 857 | 840 1 40.484000 49.567830 0.010485 858 | 841 1 42.578000 0.000000 0.011228 859 | 842 1 41.880000 1.208971 0.078443 860 | 843 1 42.578000 2.417943 0.029157 861 | 844 1 41.880000 3.626914 0.060353 862 | 845 1 42.578000 4.835886 0.096442 863 | 846 1 41.880000 6.044857 0.043248 864 | 847 1 42.578000 7.253829 0.069475 865 | 848 1 41.880000 8.462800 0.075810 866 | 849 1 42.578000 9.671772 0.043264 867 | 850 1 41.880000 10.880743 0.065550 868 | 851 1 42.578000 12.089715 0.010976 869 | 852 1 41.880000 13.298686 0.093376 870 | 853 1 42.578000 14.507658 0.018746 871 | 854 1 41.880000 15.716629 0.026618 872 | 855 1 42.578000 16.925600 0.079783 873 | 856 1 41.880000 18.134572 0.048760 874 | 857 1 42.578000 19.343543 0.076896 875 | 858 1 41.880000 20.552515 0.039601 876 | 859 1 42.578000 21.761486 0.027294 877 | 860 1 41.880000 22.970458 0.003723 878 | 861 1 42.578000 24.179429 0.067329 879 | 862 1 41.880000 25.388401 0.042956 880 | 863 1 42.578000 26.597372 0.045174 881 | 864 1 41.880000 27.806344 0.060986 882 | 865 1 42.578000 29.015315 0.005940 883 | 866 1 41.880000 30.224287 0.031581 884 | 867 1 42.578000 31.433258 0.077272 885 | 868 1 41.880000 32.642230 0.069643 886 | 869 1 42.578000 33.851201 0.012533 887 | 870 1 41.880000 35.060172 0.013015 888 | 871 1 42.578000 36.269144 0.009235 889 | 872 1 41.880000 37.478115 0.000782 890 | 873 1 42.578000 38.687087 0.042311 891 | 874 1 41.880000 39.896058 0.065557 892 | 875 1 42.578000 41.105030 0.072292 893 | 876 1 41.880000 42.314001 0.053121 894 | 877 1 42.578000 43.522973 0.010882 895 | 878 1 41.880000 44.731944 0.063177 896 | 879 1 42.578000 45.940916 0.012650 897 | 880 1 41.880000 47.149887 0.013430 898 | 881 1 42.578000 48.358859 0.009859 899 | 882 1 41.880000 49.567830 0.014203 900 | 883 1 43.974000 0.000000 0.016825 901 | 884 1 44.672000 1.208971 0.019625 902 | 885 1 43.974000 2.417943 0.031748 903 | 886 1 44.672000 3.626914 0.031643 904 | 887 1 43.974000 4.835886 0.021756 905 | 888 1 44.672000 6.044857 0.025104 906 | 889 1 43.974000 7.253829 0.089292 907 | 890 1 44.672000 8.462800 0.070322 908 | 891 1 43.974000 9.671772 0.055574 909 | 892 1 44.672000 10.880743 0.018443 910 | 893 1 43.974000 12.089715 0.021203 911 | 894 1 44.672000 13.298686 0.007735 912 | 895 1 43.974000 14.507658 0.091380 913 | 896 1 44.672000 15.716629 0.070672 914 | 897 1 43.974000 16.925600 0.055779 915 | 898 1 44.672000 18.134572 0.031343 916 | 899 1 43.974000 19.343543 0.016620 917 | 900 1 44.672000 20.552515 0.062250 918 | 901 1 43.974000 21.761486 0.098793 919 | 902 1 44.672000 22.970458 0.017043 920 | 903 1 43.974000 24.179429 0.025779 921 | 904 1 44.672000 25.388401 0.039680 922 | 905 1 43.974000 26.597372 0.007399 923 | 906 1 44.672000 27.806344 0.068410 924 | 907 1 43.974000 29.015315 0.040239 925 | 908 1 44.672000 30.224287 0.098284 926 | 909 1 43.974000 31.433258 0.040218 927 | 910 1 44.672000 32.642230 0.062067 928 | 911 1 43.974000 33.851201 0.015437 929 | 912 1 44.672000 35.060172 0.038135 930 | 913 1 43.974000 36.269144 0.016113 931 | 914 1 44.672000 37.478115 0.075811 932 | 915 1 43.974000 38.687087 0.087111 933 | 916 1 44.672000 39.896058 0.035078 934 | 917 1 43.974000 41.105030 0.068554 935 | 918 1 44.672000 42.314001 0.029415 936 | 919 1 43.974000 43.522973 0.053063 937 | 920 1 44.672000 44.731944 0.083242 938 | 921 1 43.974000 45.940916 0.059749 939 | 922 1 44.672000 47.149887 0.033531 940 | 923 1 43.974000 48.358859 0.029923 941 | 924 1 44.672000 49.567830 0.045259 942 | 925 1 46.766000 0.000000 0.042265 943 | 926 1 46.068000 1.208971 0.035961 944 | 927 1 46.766000 2.417943 0.055832 945 | 928 1 46.068000 3.626914 0.074255 946 | 929 1 46.766000 4.835886 0.042433 947 | 930 1 46.068000 6.044857 0.042936 948 | 931 1 46.766000 7.253829 0.012487 949 | 932 1 46.068000 8.462800 0.002443 950 | 933 1 46.766000 9.671772 0.029019 951 | 934 1 46.068000 10.880743 0.031752 952 | 935 1 46.766000 12.089715 0.065369 953 | 936 1 46.068000 13.298686 0.095694 954 | 937 1 46.766000 14.507658 0.093573 955 | 938 1 46.068000 15.716629 0.045789 956 | 939 1 46.766000 16.925600 0.024048 957 | 940 1 46.068000 18.134572 0.076390 958 | 941 1 46.766000 19.343543 0.075933 959 | 942 1 46.068000 20.552515 0.074065 960 | 943 1 46.766000 21.761486 0.074369 961 | 944 1 46.068000 22.970458 0.010592 962 | 945 1 46.766000 24.179429 0.068156 963 | 946 1 46.068000 25.388401 0.046326 964 | 947 1 46.766000 26.597372 0.021216 965 | 948 1 46.068000 27.806344 0.009852 966 | 949 1 46.766000 29.015315 0.082357 967 | 950 1 46.068000 30.224287 0.017501 968 | 951 1 46.766000 31.433258 0.016357 969 | 952 1 46.068000 32.642230 0.066599 970 | 953 1 46.766000 33.851201 0.089439 971 | 954 1 46.068000 35.060172 0.051656 972 | 955 1 46.766000 36.269144 0.070270 973 | 956 1 46.068000 37.478115 0.015359 974 | 957 1 46.766000 38.687087 0.095346 975 | 958 1 46.068000 39.896058 0.054088 976 | 959 1 46.766000 41.105030 0.067973 977 | 960 1 46.068000 42.314001 0.003656 978 | 961 1 46.766000 43.522973 0.080920 979 | 962 1 46.068000 44.731944 0.074862 980 | 963 1 46.766000 45.940916 0.012019 981 | 964 1 46.068000 47.149887 0.052505 982 | 965 1 46.766000 48.358859 0.032583 983 | 966 1 46.068000 49.567830 0.054645 984 | 967 1 48.162000 0.000000 0.039888 985 | 968 1 48.860000 1.208971 0.041509 986 | 969 1 48.162000 2.417943 0.018074 987 | 970 1 48.860000 3.626914 0.025539 988 | 971 1 48.162000 4.835886 0.002054 989 | 972 1 48.860000 6.044857 0.092368 990 | 973 1 48.162000 7.253829 0.065370 991 | 974 1 48.860000 8.462800 0.093261 992 | 975 1 48.162000 9.671772 0.016351 993 | 976 1 48.860000 10.880743 0.092110 994 | 977 1 48.162000 12.089715 0.079466 995 | 978 1 48.860000 13.298686 0.057739 996 | 979 1 48.162000 14.507658 0.044004 997 | 980 1 48.860000 15.716629 0.025761 998 | 981 1 48.162000 16.925600 0.075195 999 | 982 1 48.860000 18.134572 0.022867 1000 | 983 1 48.162000 19.343543 0.006419 1001 | 984 1 48.860000 20.552515 0.076733 1002 | 985 1 48.162000 21.761486 0.067120 1003 | 986 1 48.860000 22.970458 0.071521 1004 | 987 1 48.162000 24.179429 0.064206 1005 | 988 1 48.860000 25.388401 0.041905 1006 | 989 1 48.162000 26.597372 0.039076 1007 | 990 1 48.860000 27.806344 0.081614 1008 | 991 1 48.162000 29.015315 0.031743 1009 | 992 1 48.860000 30.224287 0.081454 1010 | 993 1 48.162000 31.433258 0.078907 1011 | 994 1 48.860000 32.642230 0.085226 1012 | 995 1 48.162000 33.851201 0.050564 1013 | 996 1 48.860000 35.060172 0.063566 1014 | 997 1 48.162000 36.269144 0.095089 1015 | 998 1 48.860000 37.478115 0.044396 1016 | 999 1 48.162000 38.687087 0.006002 1017 | 1000 1 48.860000 39.896058 0.086675 1018 | 1001 1 48.162000 41.105030 0.063119 1019 | 1002 1 48.860000 42.314001 0.035507 1020 | 1003 1 48.162000 43.522973 0.099700 1021 | 1004 1 48.860000 44.731944 0.022417 1022 | 1005 1 48.162000 45.940916 0.065245 1023 | 1006 1 48.860000 47.149887 0.060499 1024 | 1007 1 48.162000 48.358859 0.038725 1025 | 1008 1 48.860000 49.567830 0.014219 1026 | -------------------------------------------------------------------------------- /grap.in: -------------------------------------------------------------------------------- 1 | #uniaxial tensile test of graphene 2 | 3 | ##---------------INITIALIZATION------------------------------- 4 | 5 | units metal 6 | dimension 3 7 | boundary p p f 8 | atom_style atomic 9 | newton on 10 | 11 | 12 | ##---------------ATOM DEFINITION------------------------------ 13 | 14 | read_data grap.data 15 | 16 | 17 | ##---------------FORCE FIELDS--------------------------------- 18 | 19 | pair_style airebo 3.0 20 | pair_coeff * * CH.airebo C 21 | 22 | 23 | ##---------------SETTINGS------------------------------------- 24 | 25 | timestep 0.0005 26 | variable ts equal 0.0005 27 | 28 | 29 | ##---------------COMPUTES------------------------------------- 30 | 31 | compute 1 all stress/atom NULL 32 | compute 2 all reduce sum c_1[1] c_1[2] 33 | 34 | 35 | variable Lx equal lx 36 | variable Ly equal ly 37 | variable Lz equal lz 38 | variable Vol equal vol 39 | variable thickn equal 3.4 40 | fix 1 all npt temp 300 300 0.05 x 0 0 0.5 y 0 0 0.5 41 | thermo 2000 42 | ##---------------RELAXATION-------------------------------------- 43 | 44 | run 50000 45 | 46 | 47 | ##---------------DEFORMATION-------------------------------------- 48 | unfix 1 49 | reset_timestep 0 50 | fix 1 all npt temp 300 300 0.05 x 0 0 0.5 51 | fix 2 all ave/time 1 100 100 c_2[1] c_2[2] 52 | fix 3 all ave/time 1 100 100 v_Lx v_Ly v_Lz v_Vol 53 | variable srate equal 1.0e9 54 | variable srate1 equal "v_srate / 1.0e12" 55 | fix 4 all deform 1 y erate ${srate1} units box remap x 56 | run 100 57 | ##---------------THERMO-OUTPUTS-------------------------------------- 58 | variable CorVol equal f_3[4]*v_thickn/(f_3[3]) 59 | variable ConvoFac equal 1/1.0e4 60 | variable sigmaxx equal f_2[1]*v_ConvoFac/v_CorVol 61 | variable sigmayy equal f_2[2]*v_ConvoFac/v_CorVol 62 | variable StrainPerTs equal v_srate1*v_ts 63 | variable strain equal v_StrainPerTs*step 64 | thermo 100 65 | thermo_style custom step temp v_strain v_sigmaxx v_sigmayy pe ke lx ly vol 66 | 67 | 68 | ##---------------DEFORMATION-------------------------------------- 69 | dump 1 all atom 5000 tensile_test.lammpstrj 70 | run 500000 71 | 72 | 73 | -------------------------------------------------------------------------------- /input_files.m: -------------------------------------------------------------------------------- 1 | %% Nuwan Dewapriya 2 | %% 2019/04/09 3 | %% This code has three parts. 4 | %% The first part computes the coordinates of carbon atoms in a graphene sheet with specified dimensions on lines 18 & 19. 5 | %% The second part generates .data file for LAMMPS 6 | %% The third part generates .in file for LAMMPS 7 | 8 | clear all 9 | close all 10 | clc 11 | 12 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 13 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 14 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 15 | %% PART 1 16 | %% Setting dimensions of the sheet 17 | 18 | length=50; % All lengths are in Angstome 19 | width=50; 20 | c_c_bl=1.396; %% c-c bond acording to the airebo potential 21 | 22 | %% 23 | unit_x=c_c_bl*2*(1+cos(pi/3)); 24 | unit_y=c_c_bl*2*cos(pi/6); 25 | 26 | u_x=floor(width/unit_x); 27 | u_y=floor(length/unit_y); 28 | 29 | %% Positions of the first 4 atoms 30 | 31 | x(1,1)=c_c_bl*cos(pi/3); 32 | x(1,2)=x(1,1)+c_c_bl; 33 | x(2,1)=0; 34 | x(2,2)=c_c_bl*(1+2*cos(pi/3)); 35 | 36 | y(1,1)=0; 37 | y(1,2)=0; 38 | y(2,1)=c_c_bl*cos(pi/6); 39 | y(2,2)=c_c_bl*cos(pi/6); 40 | 41 | %% Repetition along the x direction 42 | 43 | for i=1: u_x 44 | x(1,(i*2)+1)=x(1,(i-1)*2+1)+c_c_bl*2*(1+cos(pi/3)); 45 | x(1,(i*2)+2)=x(1,(i-1)*2+2)+c_c_bl*2*(1+cos(pi/3)); 46 | x(2,(i*2)+1)=x(2,(i-1)*2+1)+c_c_bl*2*(1+cos(pi/3)); 47 | x(2,(i*2)+2)=x(2,(i-1)*2+2)+c_c_bl*2*(1+cos(pi/3)); 48 | 49 | y(1,(i*2)+1)=y(1,(i-1)*2+1); 50 | y(1,(i*2)+2)=y(1,(i-1)*2+2); 51 | y(2,(i*2)+1)=y(2,(i-1)*2+1); 52 | y(2,(i*2)+2)=y(2,(i-1)*2+2); 53 | end 54 | 55 | %% Repetition along the y direction 56 | 57 | for i=1:u_y 58 | 59 | x((i*2)+1,:)=x((i-1)*2+1,:); 60 | x((i*2)+2,:)=x((i-1)*2+2,:); 61 | 62 | y((i*2)+1,:)=y((i-1)*2+1,:)+c_c_bl*cos(pi/6)*2; 63 | y((i*2)+2,:)=y((i-1)*2+2,:)+c_c_bl*cos(pi/6)*2; 64 | 65 | end 66 | 67 | Num_of_atoms = size(x,1)*size(x,2) 68 | 69 | 70 | %% Getting x and y coordinates in to 2 columns 71 | 72 | x=reshape(x,Num_of_atoms,1); 73 | y=reshape(y,Num_of_atoms,1); 74 | 75 | coord=zeros(Num_of_atoms,3); 76 | coord(:,1)=x; 77 | coord(:,2)=y; 78 | 79 | l_x = max(x); 80 | l_y = max(y); 81 | 82 | 83 | %% Getting dimensions of the simulation box. 84 | 85 | x_max=max(coord(:,1))+c_c_bl/2; 86 | x_min=min(coord(:,1))-c_c_bl/2; 87 | y_max=max(coord(:,2))+c_c_bl*cos(pi/6)/2; 88 | y_min=min(coord(:,2))-c_c_bl*cos(pi/6)/2; 89 | 90 | b_x =[x_min, x_min, x_max, x_max, x_min; y_min, y_max, y_max, y_min, y_min]; % Boundaries of the simulation box 91 | 92 | Lx = x_max-x_min 93 | Ly = y_max-y_min 94 | 95 | %% Plotting the graphene sheet 96 | 97 | plot(coord(:,1),coord(:,2),'o','MarkerSize',3,'MarkerFaceColor','k','MarkerEdgeColor','k') % change this in an appropriate way for zig-zag and arm chair 98 | axis equal 99 | hold on 100 | plot(b_x(1,:),b_x(2,:),'--','Color','red','LineWidth',1) 101 | 102 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 103 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 104 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 105 | %% PART 2 106 | %% Preparing the data file for LAMMPS 107 | 108 | fid=fopen('grap.data','w'); 109 | 110 | fprintf(fid,'uniaxial tensile test of graphene\n'); 111 | fprintf(fid,'\n'); 112 | fprintf(fid,'%d atoms \n',size(coord,1)); 113 | fprintf(fid,'\n'); 114 | fprintf(fid,'%d atom types \n',1); 115 | fprintf(fid,'\n'); 116 | fprintf(fid,'#simulation box \n'); 117 | fprintf(fid,'%f %f xlo xhi\n',x_min, x_max); 118 | fprintf(fid,'%f %f ylo yhi\n',y_min, y_max); 119 | fprintf(fid,'%f %f zlo zhi\n',-10.0, 10.0); 120 | fprintf(fid,'\n'); 121 | fprintf(fid,'Masses\n'); 122 | fprintf(fid,'\n'); 123 | fprintf(fid,'%d %f \n',1, 12.010000); 124 | fprintf(fid,'\n'); 125 | fprintf(fid,'Atoms\n'); 126 | fprintf(fid,'\n'); 127 | 128 | %% Defining atoms 129 | 130 | number=size(coord,1); 131 | for i=1:number 132 | 133 | fprintf(fid,'%d 1 %f %f %f \n',i,coord(i,1),coord(i,2),rand/10); 134 | end 135 | 136 | fclose(fid); 137 | 138 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 139 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 140 | %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 141 | %% PART 3 142 | %% Preparing the simulation file for LAMMPS 143 | 144 | fid=fopen('grap.in','w'); 145 | 146 | fprintf(fid,'#uniaxial tensile test of graphene\n'); 147 | fprintf(fid,'\n'); 148 | 149 | fprintf(fid,'##---------------INITIALIZATION-------------------------------\n'); 150 | fprintf(fid,'\n'); 151 | fprintf(fid,'units metal\n'); 152 | fprintf(fid,'dimension 3 \n'); 153 | 154 | fprintf(fid,'boundary p p f\n'); 155 | 156 | fprintf(fid,'atom_style atomic\n'); 157 | fprintf(fid,'newton on\n'); 158 | fprintf(fid,'\n'); 159 | fprintf(fid,'\n'); 160 | 161 | fprintf(fid,'##---------------ATOM DEFINITION------------------------------\n'); 162 | fprintf(fid,'\n'); 163 | fprintf(fid,'read_data grap.data\n'); 164 | fprintf(fid,'\n'); 165 | fprintf(fid,'\n'); 166 | 167 | 168 | fprintf(fid,'##---------------FORCE FIELDS---------------------------------\n'); 169 | fprintf(fid,'\n'); 170 | fprintf(fid,'pair_style airebo 3.0\n'); 171 | fprintf(fid,'pair_coeff * * CH.airebo C\n'); 172 | fprintf(fid,'\n'); 173 | fprintf(fid,'\n'); 174 | 175 | fprintf(fid,'##---------------SETTINGS-------------------------------------\n'); 176 | fprintf(fid,'\n'); 177 | fprintf(fid,'timestep 0.0005\n'); 178 | fprintf(fid,'variable ts equal 0.0005\n'); 179 | fprintf(fid,'\n'); 180 | fprintf(fid,'\n'); 181 | 182 | 183 | fprintf(fid,'##---------------COMPUTES-------------------------------------\n'); 184 | fprintf(fid,'\n'); 185 | fprintf(fid,'compute 1 all stress/atom NULL\n'); % for information, please check http://lammps.sandia.gov/doc/compute_stress_atom.html 186 | fprintf(fid,'compute 2 all reduce sum c_1[1] c_1[2]\n'); 187 | fprintf(fid,'\n'); 188 | fprintf(fid,'\n'); 189 | 190 | fprintf(fid,'variable Lx equal lx\n'); % See https://lammps.sandia.gov/doc/variable.html 191 | fprintf(fid,'variable Ly equal ly\n'); 192 | fprintf(fid,'variable Lz equal lz\n'); 193 | fprintf(fid,'variable Vol equal vol\n'); 194 | 195 | fprintf(fid,'variable thickn equal 3.4\n'); %interlayer spacing is 3.4 A 196 | 197 | fprintf(fid,'fix 1 all npt temp 300 300 0.05 x 0 0 0.5 y 0 0 0.5\n'); 198 | 199 | fprintf(fid,'thermo 2000\n'); 200 | 201 | fprintf(fid,'##---------------RELAXATION--------------------------------------\n'); 202 | fprintf(fid,'\n'); 203 | fprintf(fid,'run 50000\n'); 204 | fprintf(fid,'\n'); 205 | fprintf(fid,'\n'); 206 | 207 | fprintf(fid,'##---------------DEFORMATION--------------------------------------\n'); 208 | fprintf(fid,'unfix 1\n'); 209 | fprintf(fid,'reset_timestep 0\n'); 210 | 211 | fprintf(fid,'fix 1 all npt temp 300 300 0.05 x 0 0 0.5\n'); 212 | 213 | fprintf(fid,'fix 2 all ave/time 1 100 100 c_2[1] c_2[2]\n');% http://lammps.sandia.gov/doc/fix_ave_atom.html 214 | fprintf(fid,'fix 3 all ave/time 1 100 100 v_Lx v_Ly v_Lz v_Vol\n'); 215 | 216 | 217 | fprintf(fid,'variable srate equal 1.0e9\n'); 218 | fprintf(fid,'variable srate1 equal "v_srate / 1.0e12"\n'); 219 | 220 | 221 | fprintf(fid,'fix 4 all deform 1 y erate ${srate1} units box remap x\n'); 222 | 223 | fprintf(fid,'run 100\n'); % to activate fixes 224 | 225 | 226 | fprintf(fid,'##---------------THERMO-OUTPUTS--------------------------------------\n'); 227 | 228 | 229 | fprintf(fid,'variable CorVol equal f_3[4]*v_thickn/(f_3[3])\n'); %corrected volume ignoring large box size 230 | 231 | fprintf(fid,'variable ConvoFac equal 1/1.0e4\n'); 232 | 233 | fprintf(fid,'variable sigmaxx equal f_2[1]*v_ConvoFac/v_CorVol\n'); 234 | fprintf(fid,'variable sigmayy equal f_2[2]*v_ConvoFac/v_CorVol\n'); 235 | 236 | fprintf(fid,'variable StrainPerTs equal v_srate1*v_ts\n'); %strain per time step 237 | fprintf(fid,'variable strain equal v_StrainPerTs*step\n'); %strain 238 | 239 | fprintf(fid,'thermo 100\n'); 240 | fprintf(fid,'thermo_style custom step temp v_strain v_sigmaxx v_sigmayy pe ke lx ly vol \n'); 241 | fprintf(fid,'\n'); 242 | fprintf(fid,'\n'); 243 | 244 | 245 | fprintf(fid,'##---------------DEFORMATION--------------------------------------\n'); 246 | 247 | fprintf(fid,'dump 1 all atom 5000 tensile_test.lammpstrj\n'); 248 | fprintf(fid,'run 500000\n'); 249 | fprintf(fid,'\n'); 250 | fprintf(fid,'\n'); 251 | 252 | fclose(fid); 253 | -------------------------------------------------------------------------------- /stress_strain.m: -------------------------------------------------------------------------------- 1 | %% Nuwan Dewapriya 2 | %% 2019/04/10 3 | %% This code extracts data from the LAMMPS output file log.lammps and plot the stress-strain curve. 4 | 5 | clear all 6 | close all 7 | clc 8 | 9 | %% Extracting stress-strain data from the log.lammps file 10 | 11 | [fid] = fopen('log.lammps'); 12 | 13 | [Stress,count] = fscanf(fid, '%*d %*f %f %*f %f %*f %*f %*f %*f %*f ',[2,inf]);%% etract only Step and E_pair 14 | 15 | Stress = Stress'; % 16 | 17 | %% Plotting 18 | 19 | figure 20 | plot(Stress(:,1), Stress(:,2),'-or','MarkerSize',2) 21 | xlabel('Strain','fontsize',12) 22 | ylabel('Stress (GPa)','fontsize',12) 23 | grid on 24 | set(gca,'LineWidth',1,'Fontsize',12) 25 | axis square 26 | axis([0 0.25 0 110]) 27 | grid off 28 | --------------------------------------------------------------------------------