ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 872 ITEM: BOX BOUNDS mm mm mm -30 30 -25 25 -1 1 ITEM: ATOMS id element x y z fx fy fz 1 C -4.0985 16.7869 0 0 0 0 2 C -3.58869 18.113 0 0 0 0 3 C -5.11814 14.1345 0 0 0 0 4 C -3.71364 14.357 0 0 0 0 5 C -3.20383 15.6831 0 0 0 0 6 C -1.79933 15.9056 0 0 0 0 7 C -5.2431 10.3784 0 0 0 0 8 C -4.73328 11.7046 0 0 0 0 9 C -3.32879 11.9271 0 0 0 0 10 C -2.81897 13.2532 0 0 0 0 11 C -1.41448 13.4757 0 0 0 0 12 C -0.904659 14.8019 0 0 0 0 13 C -6.77255 6.39991 0 0 0 0 14 C -6.26273 7.72608 0 0 0 0 15 C -4.85824 7.94853 0 0 0 0 16 C -4.34842 9.27471 0 0 0 0 17 C -2.94393 9.49716 0 0 0 0 18 C -2.43411 10.8233 0 0 0 0 19 C -1.02962 11.0458 0 0 0 0 20 C -0.519801 12.372 0 0 0 0 21 C -7.79218 3.74756 0 0 0 0 22 C -6.38769 3.97 0 0 0 0 23 C -5.87787 5.29618 0 0 0 0 24 C -4.47338 5.51863 0 0 0 0 25 C -3.96356 6.84481 0 0 0 0 26 C -2.55907 7.06726 0 0 0 0 27 C -2.04925 8.39343 0 0 0 0 28 C -0.644759 8.61588 0 0 0 0 29 C -0.134942 9.94206 0 0 0 0 30 C 1.26955 10.1645 0 0 0 0 31 C -7.91714 -0.00852291 0 0 0 0 32 C -7.40732 1.31765 0 0 0 0 33 C -6.00283 1.5401 0 0 0 0 34 C -5.49301 2.86628 0 0 0 0 35 C -4.08852 3.08873 0 0 0 0 36 C -3.5787 4.4149 0 0 0 0 37 C -2.17421 4.63735 0 0 0 0 38 C -1.66439 5.96353 0 0 0 0 39 C -0.2599 6.18598 0 0 0 0 40 C 0.249917 7.51216 0 0 0 0 41 C 1.65441 7.73461 0 0 0 0 42 C -7.53228 -2.43843 0 0 0 0 43 C -7.02246 -1.11225 0 0 0 0 44 C -5.61797 -0.889799 0 0 0 0 45 C -5.10815 0.436377 0 0 0 0 46 C -3.70366 0.658827 0 0 0 0 47 C -3.19384 1.985 0 0 0 0 48 C -1.78935 2.20745 0 0 0 0 49 C -1.27953 3.53363 0 0.0374044 0.00568465 0 50 C 0.124958 3.75608 0 -0.0375583 -0.00616138 0 51 C 0.634775 5.08225 0 0.0377442 0.00629292 0 52 C 2.03927 5.3047 0 -0.0847698 -0.288139 0 53 C 2.54909 6.63088 0 5.33272 -3.29235 0 54 C -7.14742 -4.86833 0 -2.28549 -2.17756 0 55 C -6.63761 -3.54215 0 10.9246 1.58727 0 56 C -5.23311 -3.3197 0 -0.826118 -0.130791 0 57 C -4.7233 -1.99353 0 0.0378856 0.00515804 0 58 C -3.3188 -1.77108 0 -0.0341023 -0.00556379 0 59 C -2.80899 -0.4449 0 0.0380148 0.00584432 0 60 C -1.40449 -0.22245 0 -0.0378567 -0.00615711 0 61 C -0.894676 1.10373 0 0.0377529 0.00566163 0 62 C 0.509817 1.32618 0 0.526693 -0.0922554 0 63 C 1.01963 2.65235 0 -0.120417 -0.219552 0 64 C 2.42413 2.8748 0 2.20088 -4.47788 0 65 C 2.93394 4.20098 0 5.43626 -2.00658 0 66 C -6.76256 -7.29823 0 1.81804 0.351247 0 67 C -6.25275 -5.97205 0 0.900936 -1.40389 0 68 C -4.84825 -5.7496 0 0.391147 -0.305322 0 69 C -4.33844 -4.42343 0 0.126187 -0.061983 0 70 C -2.93394 -4.20098 0 -6.26095 -4.1564 0 71 C -2.42413 -2.8748 0 -1.75795 3.7337 0 72 C -1.01963 -2.65235 0 -16.9675 20.6261 0 73 C -0.509817 -1.32618 0 -1.30466 1.2859 0 74 C 0.894676 -1.10373 0 -4.11504 -3.01821 0 75 C 1.40449 0.22245 0 1.72669 -3.56919 0 76 C -6.37771 -9.72813 0 -42.6213 13.4993 0 77 C -5.86789 -8.40196 0 0.114199 3.64594 0 78 C -4.4634 -8.17951 0 -10.4254 -0.922036 0 79 C -3.95358 -6.85333 0 -1.53574 6.56373 0 80 C -2.03927 -5.3047 0 -132.411 -30.4503 0 81 C -22.2301 24.0748 0 1.44355 -1.33793 0 82 C -23.191 19.9221 0 0.79466 1.99677 0 83 C -22.8707 21.3063 0 -0.120602 -2.11131 0 84 C -21.5108 21.7221 0 -0.149024 1.11514 0 85 C -21.1906 23.1063 0 -1.97506 2.39025 0 86 C -19.8307 23.5221 0 -3.05803 -3.47037 0 87 C -22.4717 17.5694 0 1.58962 0.486348 0 88 C -22.1514 18.9536 0 -1.59038 -0.483604 0 89 C -20.7916 19.3694 0 -0.0329898 -0.0122539 0 90 C -20.4713 20.7536 0 0.0399062 0.0121377 0 91 C -19.1114 21.1694 0 0.250353 0.69352 0 92 C -18.7911 22.5536 0 -23.8322 -7.60631 0 93 C -23.4326 13.4168 0 0.794768 1.99677 0 94 C -23.1123 14.801 0 -0.121302 -2.11201 0 95 C -21.7524 15.2167 0 -0.145761 1.12052 0 96 C -21.4321 16.601 0 -0.558176 -0.9617 0 97 C -20.0723 17.0167 0 -0.0323773 -0.0117205 0 98 C -19.752 18.4009 0 0.0372833 0.0135521 0 99 C -18.3921 18.8167 0 0.913593 0.201582 0 100 C -18.0718 20.2009 0 1.73387 1.11848 0 101 C -22.7133 11.0641 0 1.59137 0.484102 0 102 C -22.393 12.4483 0 -1.58757 -0.483427 0 103 C -21.0331 12.864 0 -0.0391083 -0.00535102 0 104 C -20.7128 14.2483 0 0.0335502 0.0058489 0 105 C -19.353 14.664 0 -0.0326587 -0.01174 0 106 C -19.0327 16.0482 0 0.0372288 0.0135822 0 107 C -17.6728 16.464 0 0.453244 0.0154758 0 108 C -17.3525 17.8482 0 10.6493 2.16334 0 109 C -15.9927 18.264 0 0 0 0 110 C -23.3539 8.29562 0 1.4769 2.75214 0 111 C -21.994 8.71137 0 -1.8513 -1.15454 0 112 C -21.6737 10.0956 0 -0.556023 -0.955953 0 113 C -20.3138 10.5113 0 -0.0397127 -0.00655057 0 114 C -19.9936 11.8956 0 0.0403095 0.00602378 0 115 C -18.6337 12.3113 0 -0.0375668 -0.0106171 0 116 C -18.3134 13.6955 0 0.0369927 0.0140439 0 117 C -16.9535 14.1113 0 -0.0396413 -0.0119087 0 118 C -16.6332 15.4955 0 0.323398 0.498008 0 119 C -15.2734 15.9113 0 2.99071 5.15992 0 120 C -22.9549 4.5587 0 0.925825 1.88285 0 121 C -22.6346 5.94293 0 1.39621 -3.763 0 122 C -21.2747 6.35868 0 -1.31647 1.31571 0 123 C -20.9544 7.7429 0 -0.0992357 -0.0297868 0 124 C -19.5945 8.15865 0 -0.0401223 -0.0104716 0 125 C -19.2743 9.54288 0 0.0408706 0.00970062 0 126 C -17.9144 9.95863 0 -0.0366166 -0.0101357 0 127 C -17.5941 11.3429 0 0.0369957 0.00784338 0 128 C -16.2342 11.7586 0 -0.0394597 -0.0116179 0 129 C -15.914 13.1428 0 0.0474663 0.135453 0 130 C -14.5541 13.5586 0 0.117996 1.03884 0 131 C -22.2356 2.20601 0 1.59109 0.485632 0 132 C -21.9153 3.59023 0 -1.58643 -0.48462 0 133 C -20.5554 4.00599 0 -0.0369365 -0.0117505 0 134 C -20.2351 5.39021 0 0.0334401 0.0106526 0 135 C -18.8753 5.80596 0 -0.0334059 -0.0107393 0 136 C -18.555 7.19018 0 0.0396192 0.010355 0 137 C -17.1951 7.60594 0 -0.0372246 -0.0121263 0 138 C -16.8748 8.99016 0 0.0334797 0.0108999 0 139 C -15.515 9.40591 0 -0.0336924 -0.0117007 0 140 C -15.1947 10.7901 0 0.0580374 0.000951199 0 141 C -13.8348 11.2059 0 -1.86012 -1.01315 0 142 C -13.5145 12.5901 0 -21.509 -5.84873 0 143 C -22.8761 -0.562434 0 0.302018 -2.95164 0 144 C -21.5163 -0.146681 0 0.572525 1.69596 0 145 C -21.196 1.23754 0 -0.554617 -0.955955 0 146 C -19.8361 1.65329 0 -0.0370894 -0.0113377 0 147 C -19.5158 3.03752 0 0.0332213 0.0104824 0 148 C -18.156 3.45327 0 -0.0333946 -0.0108623 0 149 C -17.8357 4.83749 0 0.0372829 0.0118416 0 150 C -16.4758 5.25324 0 -0.0372302 -0.0114508 0 151 C -16.1555 6.63747 0 0.0333767 0.0104829 0 152 C -14.7957 7.05322 0 -0.0330812 -0.0113925 0 153 C -14.4754 8.43744 0 0.687912 0.256199 0 154 C -13.1155 8.85319 0 -7.9509 4.53996 0 155 C -12.7952 10.2374 0 -130.824 -28.7147 0 156 C -20.797 -2.49937 0 -3.39631 -0.249092 0 157 C -20.4767 -1.11515 0 -0.657315 -0.151041 0 158 C -19.1168 -0.699398 0 -0.0393391 -0.0101706 0 159 C -18.7965 0.684824 0 0.0334394 0.0106419 0 160 C -17.4367 1.10058 0 -0.0334217 -0.0109838 0 161 C -17.1164 2.4848 0 0.0372816 0.0118215 0 162 C -15.7565 2.90055 0 -0.0372653 -0.0118209 0 163 C -15.4362 4.28477 0 0.033511 0.0109644 0 164 C -14.0764 4.70053 0 -0.0333622 -0.0104612 0 165 C -13.7561 6.08475 0 0.609001 0.187182 0 166 C -12.3962 6.5005 0 -9.01035 -6.16696 0 167 C -12.0759 7.88472 0 10.589 2.56715 0 168 C -20.0777 -4.85207 0 -3.96307 1.22727 0 169 C -19.7574 -3.46784 0 1.17827 2.25107 0 170 C -18.3975 -3.05209 0 -0.0400629 -0.0109661 0 171 C -18.0773 -1.66787 0 0.0401304 0.0107781 0 172 C -16.7174 -1.25212 0 -0.0367599 -0.0114639 0 173 C -16.3971 0.132107 0 0.0369695 0.0119048 0 174 C -15.0372 0.547859 0 -0.0395232 -0.0102351 0 175 C -14.7169 1.93208 0 0.0333694 0.0107171 0 176 C -13.3571 2.34783 0 -0.033272 -0.0104594 0 177 C -13.0368 3.73206 0 0.0368556 0.0115996 0 178 C -11.6769 4.14781 0 -0.850021 1.79299 0 179 C -11.3566 5.53203 0 0.674292 2.67174 0 180 C -19.3584 -7.20476 0 45.0919 91.879 0 181 C -19.0381 -5.82054 0 1.38674 2.32323 0 182 C -17.6782 -5.40478 0 -0.0658216 -0.0672279 0 183 C -17.358 -4.02056 0 0.040151 0.0110158 0 184 C -15.9981 -3.60481 0 -0.0369472 -0.0118494 0 185 C -15.6778 -2.22059 0 0.0368943 0.0118352 0 186 C -14.3179 -1.80483 0 -0.0403187 -0.0108867 0 187 C -13.9977 -0.420611 0 0.0402554 0.0108019 0 188 C -12.6378 -0.0048581 0 -0.0368882 -0.0116967 0 189 C -12.3175 1.37936 0 0.0367607 0.0118004 0 190 C -10.9576 1.79512 0 1.35511 -0.203066 0 191 C -10.6374 3.17934 0 1.95992 2.27905 0 192 C -18.3188 -8.17323 0 12.4054 -13.059 0 193 C -16.959 -7.75748 0 -0.736777 -0.535345 0 194 C -16.6387 -6.37325 0 0.0395973 0.0100564 0 195 C -15.2788 -5.9575 0 -0.0371682 -0.0120531 0 196 C -14.9585 -4.57328 0 0.0333946 0.0108623 0 197 C -13.5987 -4.15753 0 -0.0333337 -0.0103676 0 198 C -13.2784 -2.7733 0 0.0395031 0.00988517 0 199 C -11.9185 -2.35755 0 -0.0371607 -0.0119706 0 200 C -11.5982 -0.973328 0 0.461913 0.141574 0 201 C -10.2383 -0.557575 0 -1.03801 2.24446 0 202 C -9.91806 0.826647 0 -3.57963 -0.307413 0 203 C -8.55819 1.2424 0 -40.3862 -30.6873 0 204 C -17.5995 -10.5259 0 758.999 -39.7671 0 205 C -16.2397 -10.1102 0 -4.38419 -2.09937 0 206 C -15.9194 -8.72595 0 -0.415594 -0.058639 0 207 C -14.5595 -8.31019 0 -0.0372344 -0.0119285 0 208 C -14.2392 -6.92597 0 0.0333613 0.0108127 0 209 C -12.8794 -6.51022 0 -0.0333777 -0.0108433 0 210 C -12.5591 -5.126 0 0.0374376 0.0119495 0 211 C -11.1992 -4.71024 0 -0.0375982 -0.0119932 0 212 C -10.8789 -3.32602 0 0.860939 0.263784 0 213 C -9.51906 -2.91027 0 -0.944188 2.65101 0 214 C -9.19877 -1.52605 0 -2.83538 -0.158282 0 215 C -15.5204 -12.4629 0 -6.48269 3.25745 0 216 C -15.2001 -11.0786 0 0.345926 3.02055 0 217 C -13.8402 -10.6629 0 -0.421708 -0.129045 0 218 C -13.5199 -9.27866 0 0.0334541 0.010187 0 219 C -12.1601 -8.86291 0 -0.0334572 -0.0109191 0 220 C -11.8398 -7.47869 0 0.037284 0.0119314 0 221 C -10.4799 -7.06294 0 0.0267482 0.00912423 0 222 C -10.1596 -5.67871 0 2.29375 -0.462619 0 223 C -8.79977 -5.26296 0 -1.78326 -3.9588 0 224 C -8.47948 -3.87874 0 -5.86952 4.64317 0 225 C -23.2019 -23.8154 0 -4.17985 5.35569 0 226 C -22.8816 -22.4312 0 1.46228 -5.73205 0 227 C -21.5217 -22.0155 0 -1.16112 -0.385588 0 228 C -21.2014 -20.6312 0 8.04684 0.655418 0 229 C -14.8011 -14.8156 0 10.9136 -11.5933 0 230 C -14.4808 -13.4313 0 18.5993 3.86627 0 231 C -13.1209 -13.0156 0 1.10266 -0.308493 0 232 C -12.8006 -11.6314 0 -0.0921658 -0.530033 0 233 C -11.4408 -11.2156 0 -0.0333622 -0.0118989 0 234 C -11.1205 -9.83138 0 0.0361024 0.0114712 0 235 C -9.76063 -9.41563 0 0.351609 0.329008 0 236 C -9.44034 -8.03141 0 1.01197 0.594342 0 237 C -8.08048 -7.61565 0 -2.75459 -2.07854 0 238 C -20.8024 -24.3681 0 2.83877 -0.212811 0 239 C -20.4821 -22.9839 0 -1.51386 -4.68393 0 240 C -12.0814 -13.984 0 -1.18443 -5.43431 0 241 C -10.7215 -13.5683 0 5.87368 3.34537 0 242 C -10.4012 -12.1841 0 0.0405193 0.00789321 0 243 C -9.04134 -11.7683 0 1.36151 -1.64914 0 244 C -8.72105 -10.3841 0 1.47674 0.460397 0 245 C 21.2014 20.6312 0 38.8918 -20.2769 0 246 C 21.5217 22.0155 0 64.7137 -8.32194 0 247 C 22.8816 22.4312 0 -2.66944 0.55127 0 248 C 23.2019 23.8154 0 2.60592 -2.46396 0 249 C -9.68191 -14.5368 0 2.16726 120.7 0 250 C -8.32205 -14.121 0 -56.4287 -29.9723 0 251 C -8.00176 -12.7368 0 -6.0076 38.1012 0 252 C 20.2405 16.4786 0 2.58342 -5.9963 0 253 C 20.5608 17.8628 0 -3.75542 3.44586 0 254 C 21.9207 18.2785 0 0.579278 0.950838 0 255 C 22.241 19.6628 0 -2.31478 0.544093 0 256 C 19.2797 12.3259 0 248.129 224.757 0 257 C 19.6 13.7101 0 9.54394 -15.1059 0 258 C 20.9598 14.1259 0 -0.407262 -0.0315671 0 259 C 21.2801 15.5101 0 4.14317 -0.780473 0 260 C 22.64 15.9258 0 -1.39501 3.76543 0 261 C 22.9603 17.3101 0 -0.924984 -1.88677 0 262 C 19.999 9.9732 0 1.38872 1.71314 0 263 C 20.3193 11.3574 0 2.7724 -3.77736 0 264 C 21.6791 11.7732 0 0.508161 1.83896 0 265 C 21.9994 13.1574 0 1.85079 1.15611 0 266 C 23.3593 13.5732 0 -1.47664 -2.75181 0 267 C 20.7183 7.62051 0 -2.16888 0.0351612 0 268 C 21.0386 9.00473 0 -0.307394 0.0807793 0 269 C 22.3984 9.42049 0 1.59031 0.485263 0 270 C 22.7187 10.8047 0 -1.59116 -0.484686 0 271 C 21.4376 5.26782 0 14.2792 2.74301 0 272 C 21.7578 6.65204 0 0.208328 -2.6249 0 273 C 23.1177 7.06779 0 0.121506 2.11284 0 274 C 23.438 8.45202 0 -0.794385 -1.99848 0 275 C 22.4771 4.29935 0 2.54574 2.22886 0 276 C 23.1964 1.94666 0 26.1271 15.1848 0 277 C 22.8707 -21.3063 0 6.64218 -20.8469 0 278 C 22.2301 -24.0748 0 -5.56259 3.8773 0 279 C -3.98581 24.3185 0 -10.6418 10.106 0 280 C -3.15013 23.1695 0 7.159 5.23437 0 281 C -1.73591 23.3181 0 -3.35447 -3.80667 0 282 C -2.89296 20.7227 0 0.363259 -5.90192 0 283 C -1.47875 20.8714 0 -2.82413 0.900963 0 284 C -0.90023 22.1691 0 0.889656 0.459107 0 285 C 0.51398 22.3177 0 -1.14878 0.248772 0 286 C 1.09251 23.6154 0 2.18131 -0.0867285 0 287 C 2.50672 23.764 0 -2.11674 -0.536414 0 288 C -1.22159 18.4247 0 -1.62833 -0.0637445 0 289 C -0.64307 19.7224 0 -0.454696 0.158572 0 290 C 0.77114 19.871 0 -0.0379198 -0.00203531 0 291 C 1.34967 21.1687 0 0.0380277 0.00193577 0 292 C 2.76388 21.3173 0 -0.0383133 -0.00222982 0 293 C 3.3424 22.615 0 1.07265 0.478407 0 294 C 4.75661 22.7636 0 -1.14872 0.248788 0 295 C 5.33514 24.0613 0 2.18131 -0.0867303 0 296 C 6.74935 24.2099 0 -2.11676 -0.5364 0 297 C -0.964435 15.978 0 140.764 55.635 0 298 C -0.38591 17.2756 0 1.1143 -1.83987 0 299 C 1.0283 17.4243 0 -0.0682108 -0.0508388 0 300 C 1.60683 18.722 0 0.0378437 0.00186578 0 301 C 3.02104 18.8706 0 -0.0382341 -0.00206242 0 302 C 3.59956 20.1683 0 0.0382031 0.002106 0 303 C 5.01377 20.3169 0 -0.0378935 -0.00203593 0 304 C 5.5923 21.6146 0 0.0380268 0.00193809 0 305 C 7.00651 21.7632 0 -0.0383268 -0.00224648 0 306 C 7.58503 23.0609 0 1.07271 0.478409 0 307 C 8.99924 23.2095 0 1.32228 1.68627 0 308 C 9.57777 24.5072 0 -2.9091 -1.10792 0 309 C -0.12875 14.8289 0 203.668 11.4351 0 310 C 1.28546 14.9776 0 -1.2463 -0.306124 0 311 C 1.86399 16.2752 0 0.0217151 0.00478873 0 312 C 3.2782 16.4239 0 -0.0370802 -0.00519354 0 313 C 3.85672 17.7216 0 0.0381606 0.00181597 0 314 C 5.27093 17.8702 0 -0.0379016 -0.00208687 0 315 C 5.84946 19.1679 0 0.0379016 0.00208692 0 316 C 7.26367 19.3165 0 -0.0382217 -0.00205769 0 317 C 7.84219 20.6142 0 0.0382177 0.00208456 0 318 C 9.2564 20.7628 0 -0.0377524 -0.0021453 0 319 C 9.83493 22.0605 0 0.0947158 0.132973 0 320 C 11.2491 22.2091 0 -1.20911 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