LAMMPS data file. 2670 atoms 0 bonds 0 angles 0 dihedrals 0 impropers 3 atom types 0 bond types 0 angle types 0 dihedral types 0 improper types 0.0 100.9992 xlo xhi 0.0 49.1212 ylo yhi 0.0 49.6311 zlo zhi Masses 1 12.010700 # C 2 12.010700 # C 3 16.043000 # CH4 Pair Coeffs # metal units 1 0.0000000241 3.400 # C 2 0.0000000241 3.400 # C 3 0.01275 3.740 # CH4 Atoms 1 1 9.99999999748980e-05 1.22812400000000 0.00100000000000000 2 1 9.99999999748980e-05 0.000100000000000000 0.710000000000000 3 1 9.99999999748980e-05 0.000100000000000000 2.12800000000000 4 1 9.99999999748980e-05 1.22812400000000 2.83700000000000 5 1 9.99999999748980e-05 3.68417200000000 0.00100000000000000 6 1 9.99999999748980e-05 2.45614800000000 0.710000000000000 7 1 9.99999999748980e-05 2.45614800000000 2.12800000000000 8 1 9.99999999748980e-05 3.68417200000000 2.83700000000000 9 1 9.99999999748980e-05 6.14022000000000 0.00100000000000000 10 1 9.99999999748980e-05 4.91219600000000 0.710000000000000 11 1 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30.9655 31.3647 2208 3 43.5481 41.2903 49.5525 2209 3 35.4766 5.84901 10.0323 2210 3 38.7486 25.4796 37.3287 2211 3 5.54515 40.9072 8.84921 2212 3 10.3562 46.2131 28.6663 2213 3 35.557 49.1611 14.2415 2214 3 38.8395 9.1655 13.6839 2215 3 27.095 16.8394 20.8699 2216 3 25.7972 48.432 29.193 2217 3 45.5783 10.6591 21.0159 2218 3 15.1601 1.84928 46.0351 2219 3 22.0616 17.9536 15.31 2220 3 26.9113 36.4065 29.1949 2221 3 39.8803 41.473 44.6562 2222 3 15.878 30.4845 9.16831 2223 3 17.6522 25.2033 12.3337 2224 3 31.5662 34.208 0.258312 2225 3 3.48711 11.4876 38.5823 2226 3 47.062 35.3262 4.21612 2227 3 23.3688 30.0494 45.436 2228 3 34.3403 2.68646 24.9656 2229 3 32.732 40.9067 2.25407 2230 3 2.98706 46.0939 47.8929 2231 3 41.1286 10.5447 10.2187 2232 3 27.9697 44.9477 41.4332 2233 3 37.9202 35.8598 13.9626 2234 3 23.1978 9.52338 16.3672 2235 3 24.5306 38.4564 2.20812 2236 3 36.4958 15.7497 22.7415 2237 3 45.5219 43.797 20.5956 2238 3 21.3068 42.5559 32.4304 2239 3 45.4453 24.776 32.7001 2240 3 41.513 11.8329 20.5846 2241 3 22.9854 21.5945 37.0675 2242 3 17.2304 37.4739 39.011 2243 3 10.7429 32.1559 3.56386 2244 3 41.3776 37.4469 21.8725 2245 3 26.0039 46.6233 16.0567 2246 3 18.5188 18.5466 20.4343 2247 3 22.7294 27.1811 0.931412 2248 3 39.079 27.4984 41.7607 2249 3 32.2606 35.8541 22.4761 2250 3 43.8697 37.0413 9.75981 2251 3 41.4002 15.77 3.42434 2252 3 19.2595 6.30583 41.4929 2253 3 24.7508 40.9089 35.6133 2254 3 14.1428 9.42348 3.9903 2255 3 23.0087 3.17116 28.296 2256 3 26.2262 13.377 31.126 2257 3 17.7198 25.5232 1.13176 2258 3 21.6269 40.5684 48.5588 2259 3 3.50461 41.4102 31.823 2260 3 7.74657 13.3823 1.71542 2261 3 22.3474 46.6157 29.1097 2262 3 33.6802 15.8085 4.21498 2263 3 6.93351 47.857 44.6165 2264 3 15.1669 38.2167 27.9428 2265 3 34.4588 31.1061 20.1927 2266 3 17.4194 41.8106 26.0408 2267 3 31.8196 43.8936 20.0075 2268 3 28.5961 40.5441 42.0517 2269 3 20.7137 4.67314 7.46083 2270 3 33.0475 32.4224 9.86356 2271 3 30.823 13.9221 31.3052 2272 3 27.2831 17.5686 27.6598 2273 3 18.4188 18.2794 38.4155 2274 3 28.9987 29.2818 9.58418 2275 3 18.4585 46.051 7.94609 2276 3 14.9098 37.9741 47.7741 2277 3 33.0734 33.807 39.0057 2278 3 31.2776 44.8818 24.8756 2279 3 29.1312 49.7272 27.2271 2280 3 36.7216 16.8243 2.26312 2281 3 17.1291 24.962 16.4453 2282 3 47.1378 27.9985 39.2186 2283 3 11.1284 48.3371 15.5933 2284 3 23.2608 11.9637 30.0176 2285 3 23.2346 5.23193 39.3857 2286 3 32.0536 41.289 9.88255 2287 3 18.0663 49.68 41.5015 2288 3 32.1326 17.807 25.6473 2289 3 30.2112 6.38869 28.3729 2290 3 19.7926 7.00963 16.3 2291 3 35.8903 6.10721 15.7214 2292 3 18.7836 25.1081 42.1836 2293 3 20.1643 17.9636 24.619 2294 3 33.5055 37.9538 45.0074 2295 3 42.4002 31.0397 24.073 2296 3 28.8919 19.9868 48.9777 2297 3 22.2191 34.6692 38.0379 2298 3 36.2912 13.9332 48.6614 2299 3 6.59427 27.089 11.6669 2300 3 35.7441 18.1198 34.6165 2301 3 41.072 2.63821 26.6761 2302 3 4.7636 18.5522 49.1215 2303 3 20.6581 32.6059 42.6316 2304 3 23.0205 48.0703 10.9671 2305 3 43.4061 32.4262 46.5553 2306 3 34.0523 11.4461 41.1618 2307 3 38.0958 40.3488 17.7493 2308 3 10.4339 23.0555 17.4852 2309 3 33.4095 21.3786 15.4708 2310 3 29.4656 11.2556 8.13319 2311 3 3.4061 46.6543 3.35426 2312 3 26.1959 30.1651 42.489 2313 3 14.4672 4.10746 24.2434 2314 3 6.34452 28.3144 3.99133 2315 3 10.0122 49.6483 11.5233 2316 3 32.1361 10.4479 14.0087 2317 3 38.5218 5.35628 26.4504 2318 3 41.3409 20.6516 5.17414 2319 3 17.5802 2.2159 0.305196 2320 3 21.76 26.0931 33.1452 2321 3 29.6676 44.3259 0.781384 2322 3 26.2382 8.7017 33.0769 2323 3 16.4636 9.75677 40.9656 2324 3 41.0422 21.399 25.7834 2325 3 42.8739 13.4587 8.79181 2326 3 33.9501 40.246 22.4582 2327 3 15.02 9.9603 13.8055 2328 3 38.271 31.1636 48.572 2329 3 27.82 34.5557 35.1132 2330 3 27.1944 3.01786 2.78192 2331 3 32.4576 14.1039 44.6108 2332 3 12.6319 26.1139 20.5463 2333 3 5.72262 8.90045 3.62993 2334 3 30.9109 41.5812 33.7811 2335 3 47.8238 32.0939 41.3691 2336 3 10.5148 8.82627 46.7549 2337 3 9.02839 21.9761 11.7859 2338 3 23.8369 20.9328 28.9964 2339 3 5.74286 22.9092 8.64635 2340 3 27.6443 43.186 6.09508 2341 3 17.194 33.2611 25.6289 2342 3 12.1104 3.3005 15.132 2343 3 15.1746 4.46389 3.05515 2344 3 5.93925 24.3649 44.1138 2345 3 17.8647 29.3122 43.2406 2346 3 25.0605 0.0810832 35.3655 2347 3 17.2077 4.05322 19.9227 2348 3 37.6125 34.3579 34.8869 2349 3 45.3219 48.202 5.59907 2350 3 45.5166 18.8094 8.23267 2351 3 24.97 1.80409 9.36527 2352 3 39.5044 12.2337 16.3005 2353 3 7.36783 39.6832 5.43559 2354 3 13.8688 7.91026 33.5576 2355 3 46.8546 31.7162 29.3813 2356 3 47.2296 5.22325 3.75064 2357 3 26.2393 35.6514 41.7783 2358 3 17.6943 7.50153 22.0681 2359 3 37.8963 32.7092 26.3007 2360 3 30.897 18.1318 46.4099 2361 3 12.877 19.5363 7.04987 2362 3 12.0224 6.68332 11.5847 2363 3 18.0981 26.166 45.5256 2364 3 33.2157 27.9769 8.95368 2365 3 41.5191 24.6919 21.526 2366 3 20.207 42.1127 4.9796 2367 3 27.7751 41.0591 27.9636 2368 3 4.77659 46.5206 30.4918 2369 3 46.7275 13.4167 11.1895 2370 3 6.78473 16.764 3.21536 2371 3 13.1598 36.0901 30.7683 2372 3 28.4615 24.2302 34.8654 2373 3 4.78092 45.4976 35.2827 2374 3 24.0716 3.94113 48.7781 2375 3 22.8264 24.5514 43.497 2376 3 15.5998 42.0997 15.0224 2377 3 39.8044 12.5261 33.8825 2378 3 2.49482 17.1064 14.3665 2379 3 18.1445 19.2146 2.07692 2380 3 27.0656 18.163 14.5851 2381 3 10.0584 14.4287 36.084 2382 3 28.446 27.1822 38.0107 2383 3 34.734 35.856 19.9158 2384 3 8.37802 41.2132 31.669 2385 3 36.0415 46.6438 37.3125 2386 3 8.51742 35.9005 24.7624 2387 3 45.9026 6.79317 32.5665 2388 3 27.351 44.3537 46.7064 2389 3 11.854 2.49637 34.5721 2390 3 28.9757 33.1809 42.2032 2391 3 9.13035 18.1312 27.2837 2392 3 11.2888 23.0115 43.1721 2393 3 45.4194 17.9883 3.78565 2394 3 24.3603 33.8849 26.2274 2395 3 36.8603 1.8648 31.4145 2396 3 8.67622 2.28477 22.9049 2397 3 36.1134 47.892 5.62669 2398 3 10.9735 0.967729 42.2288 2399 3 22.3339 2.68717 32.5382 2400 3 20.6501 0.868575 38.5325 2401 3 15.3334 24.0256 39.3034 2402 3 9.73118 24.787 34.9137 2403 3 24.8754 21.308 11.8565 2404 3 28.2814 4.65686 12.1225 2405 3 47.499 20.0492 19.8744 2406 3 24.2839 44.7791 40.0763 2407 3 6.54233 44.9531 38.9471 2408 3 35.2157 25.3168 38.1707 2409 3 24.1978 43.2998 1.49047 2410 3 18.4647 2.39394 11.7785 2411 3 12.495 44.9393 35.9776 2412 3 11.3576 14.432 1.1246 2413 3 26.0621 23.3461 38.6665 2414 3 25.3137 18.3312 5.94126 2415 3 31.6425 45.5822 4.50838 2416 3 14.2435 1.0615 21.0043 2417 3 46.3992 33.9432 23.2483 2418 3 16.4576 18.5335 16.6421 2419 3 20.218 22.6009 34.311 2420 3 12.2957 25.8639 2.37908 2421 3 3.33845 30.3717 38.4704 2422 3 10.699 34.8199 45.3255 2423 3 39.583 26.6364 27.0153 2424 3 43.1315 36.1096 44.6882 2425 3 19.2592 3.2892 23.9629 2426 3 26.3299 26.455 28.3587 2427 3 26.9633 25.5274 4.51332 2428 3 10.659 46.1711 47.8165 2429 3 15.9318 2.98988 8.87875 2430 3 25.68 47.0425 49.7231 2431 3 2.99167 38.2623 27.5333 2432 3 11.5501 48.3314 7.04132 2433 3 13.3616 15.118 6.96505 2434 3 42.1808 46.4446 42.591 2435 3 8.96513 3.73691 4.43195 2436 3 8.35498 22.8318 1.66553 2437 3 10.3262 41.9873 47.0764 2438 3 42.7591 4.42745 37.7415 2439 3 28.1279 1.77421 16.98 2440 3 10.6289 46.2169 40.2183 2441 3 31.1876 34.3271 5.58559 2442 3 36.8979 30.8 14.544 2443 3 7.43583 19.0343 6.29411 2444 3 1.81868 48.3063 17.974 2445 3 8.45687 46.0547 7.83611 2446 3 23.8162 1.20805 43.1176 2447 3 36.3791 20.6067 49.893 2448 3 13.4061 19.514 10.7033 2449 3 2.33694 36.0821 18.7318 2450 3 20.0378 49.0648 22.091 2451 3 4.06293 35.7108 41.6095 2452 3 3.24917 8.72434 30.0181 2453 3 6.39815 12.5298 40.9708 2454 3 46.7538 10.1892 0.998072 2455 3 31.7302 2.17465 21.5315 2456 3 5.93973 28.9948 15.9131 2457 3 2.78524 33.2711 31.6892 2458 3 46.8428 7.47592 43.3924 2459 3 8.34113 33.9562 40.7502 2460 3 37.9214 44.4277 45.629 2461 3 3.21539 23.7956 30.5368 2462 3 14.8093 33.3406 18.7647 2463 3 11.6608 40.2596 34.7376 2464 3 42.2043 19.8981 18.6045 2465 3 47.2416 31.0427 1.24459 2466 3 4.77855 33.155 46.383 2467 3 18.0646 46.3251 19.1093 2468 3 28.2455 9.73732 16.5685 2469 3 39.246 49.9194 18.2999 2470 3 36.1531 24.7249 0.767222 2471 3 5.36793 12.752 45.7882 2472 3 8.18906 28.9876 37.875 2473 3 29.1659 9.50158 44.1151 2474 3 45.5863 6.34575 49.7639 2475 3 22.4519 22.3153 25.848 2476 3 33.3734 29.1414 40.5038 2477 3 4.64631 17.8975 18.5595 2478 3 14.4399 14.0151 15.9562 2479 3 44.2506 35.3563 26.8618 2480 3 26.1246 4.03331 22.8807 2481 3 36.5428 10.8381 29.8528 2482 3 37.2273 38.2011 10.6924 2483 3 34.3956 3.25517 19.0214 2484 3 11.2763 10.3161 40.8478 2485 3 46.2363 23.2634 17.6791 2486 3 3.01492 8.41223 44.3252 2487 3 44.1054 31.4808 38.3461 2488 3 41.0194 2.21445 6.04405 2489 3 44.8172 27.3419 45.0761 2490 3 47.377 15.5948 1.06535 2491 3 17.5897 43.4193 33.9695 2492 3 12.9146 42.4163 19.2474 2493 3 43.3917 6.81914 20.1399 2494 3 42.1214 43.516 17.9518 2495 3 6.97216 2.67878 35.1897 2496 3 21.2239 12.6083 47.1959 2497 3 39.3584 0.964623 34.2119 2498 3 46.522 45.6068 12.9473 2499 3 18.0003 34.8705 30.454 2500 3 42.5493 18.2171 44.3114 2501 3 47.6645 29.1506 46.1923 2502 3 8.32442 9.54323 36.0423 2503 3 21.7552 47.8285 34.4415 2504 3 11.4646 4.06017 1.50417 2505 3 22.3644 6.94565 32.1629 2506 3 27.823 48.8863 41.0189 2507 3 12.9414 12.3718 44.5793 2508 3 9.25773 44.0643 22.1603 2509 3 26.1057 8.92179 48.5627 2510 3 3.99565 31.875 0.436275 2511 3 42.7785 18.0551 49.0568 2512 3 16.129 4.29716 27.7327 2513 3 26.7479 24.7537 22.7031 2514 3 13.9163 11.9055 38.6416 2515 3 3.33411 42.1491 19.3784 2516 3 35.0235 17.0302 45.946 2517 3 44.7374 30.7222 19.9954 2518 3 2.51334 42.6258 12.9969 2519 3 34.8666 23.3899 25.8603 2520 3 26.65 40.5723 17.5317 2521 3 6.94659 40.6882 27.7407 2522 3 36.7295 14.883 16.4263 2523 3 2.53142 38.8199 34.4253 2524 3 30.535 4.36442 45.8331 2525 3 18.0839 40.5426 21.9848 2526 3 20.5835 30.0286 38.0839 2527 3 4.32155 26.906 22.6978 2528 3 26.7715 26.837 11.8553 2529 3 36.8503 43.7005 24.0987 2530 3 5.19206 12.7572 5.52636 2531 3 19.9543 21.7359 15.0721 2532 3 38.6246 48.9975 41.9301 2533 3 45.4822 20.1994 46.4906 2534 3 13.8472 19.5793 41.9593 2535 3 25.2179 8.59465 2.16094 2536 3 2.96834 39.2716 42.0396 2537 3 15.5678 10.2522 24.6872 2538 3 43.2883 11.1994 5.63349 2539 3 45.1843 12.4945 44.7435 2540 3 5.31327 7.46595 47.9753 2541 3 24.196 12.9779 20.1955 2542 3 35.1133 49.1463 1.66758 2543 3 32.8966 23.4911 31.8415 2544 3 32.8378 4.19785 3.29526 2545 3 4.47895 6.85777 8.78786 2546 3 28.959 48.7156 20.9469 2547 3 46.8875 42.7854 16.3179 2548 3 3.1453 12.9858 1.72472 2549 3 14.018 48.592 47.95 2550 3 47.2591 21.4567 6.36843 2551 3 24.6851 22.1027 18.6603 2552 3 34.9872 35.3346 48.5489 2553 3 47.3099 1.33819 36.4844 2554 3 15.1685 36.3475 42.8433 2555 3 18.1478 44.8221 11.5082 2556 3 22.7756 25.4088 23.2515 2557 3 26.459 26.3369 45.4316 2558 3 40.6353 47.2287 35.9125 2559 3 23.9475 32.4916 5.65366 2560 3 45.5195 29.7891 11.5402 2561 3 24.4935 8.33348 6.40913 2562 3 22.9591 24.068 10.5272 2563 3 27.1869 24.7108 0.710705 2564 3 8.09024 38.3831 18.1007 2565 3 6.6364 24.741 4.85551 2566 3 8.26424 37.4724 14.3179 2567 3 23.3746 11.3712 25.8187 2568 3 38.7042 0.937091 49.6955 2569 3 43.8632 22.5319 15.1969 2570 3 25.6663 12.7728 3.62811 2571 3 19.2901 9.14703 34.0988 2572 3 30.9788 17.2427 42.1664 2573 3 19.1926 28.8174 9.24332 2574 3 40.4986 9.5615 26.2907 2575 3 40.4296 29.4913 37.9132 2576 3 17.5221 25.2933 30.6303 2577 3 24.5631 9.63745 21.0106 2578 3 6.5995 28.5784 46.2345 2579 3 28.7742 7.40881 19.9466 2580 3 37.6396 42.13 0.0550901 2581 3 45.1255 24.3187 24.4988 2582 3 25.3403 43.9536 28.373 2583 3 5.76495 44.914 24.111 2584 3 14.8113 31.0986 23.9542 2585 3 19.0611 39.7865 35.6447 2586 3 30.9937 20.5918 27.8571 2587 3 4.65368 14.3442 33.0623 2588 3 12.3159 15.9419 21.4173 2589 3 23.7801 28.8546 9.12599 2590 3 11.8108 4.87274 46.1195 2591 3 45.1916 37.9984 16.4846 2592 3 42.3236 35.9294 30.0473 2593 3 26.0367 48.5033 44.6765 2594 3 47.2536 42.0718 0.552029 2595 3 30.0341 35.8795 18.6202 2596 3 13.7175 49.5198 29.7849 2597 3 30.0195 28.9616 13.7968 2598 3 17.7213 13.0895 43.8046 2599 3 44.223 16.8732 23.6069 2600 3 5.7412 23.0685 13.8504 2601 3 21.3401 13.0492 17.1213 2602 3 24.382 38.8181 15.4732 2603 3 47.5072 3.93095 17.5076 2604 3 6.98318 16.2706 10.2812 2605 3 44.5637 32.0441 14.7373 2606 3 6.80084 18.325 41.1636 2607 3 3.90921 3.21646 24.0234 2608 3 17.5668 45.1714 45.0975 2609 3 4.96229 1.14286 8.08824 2610 3 26.3452 34.1734 1.95334 2611 3 15.9891 28.7017 39.8159 2612 3 25.9931 15.417 40.4752 2613 3 6.41433 5.63976 37.434 2614 3 32.9911 46.0812 8.55479 2615 3 13.2271 8.67662 27.9577 2616 3 11.9624 1.70321 25.9086 2617 3 38.3498 45.0231 3.69182 2618 3 37.357 0.0414756 8.87987 2619 3 34.4177 8.94548 46.7449 2620 3 31.9929 4.21347 15.8574 2621 3 44.482 34.8525 6.87025 2622 3 29.5098 21.0229 32.043 2623 3 24.1596 49.6007 39.3947 2624 3 35.5402 4.97035 38.4491 2625 3 11.966 12.0684 33.4454 2626 3 22.3993 14.787 24.6192 2627 3 16.0599 42.5548 46.8295 2628 3 9.03788 49.6996 1.38411 2629 3 7.83606 0.598929 16.1983 2630 3 29.0436 35.2589 45.9389 2631 3 24.4519 13.1675 6.62235 2632 3 41.2757 21.3213 47.8183 2633 3 15.6508 43.512 6.90326 2634 3 22.6439 26.2617 29.8218 2635 3 2.92211 22.4265 4.12564 2636 3 44.2003 15.2351 36.9731 2637 3 32.7545 5.69023 35.7408 2638 3 13.2505 1.21443 10.9523 2639 3 7.32374 40.0873 47.9472 2640 3 46.6268 6.04131 36.3224 2641 3 25.8602 32.0808 32.0668 2642 3 38.2341 0.0314478 28.5425 2643 3 27.3549 4.00336 34.4916 2644 3 17.6138 35.909 22.0994 2645 3 27.9824 0.696484 5.80385 2646 3 32.0434 3.65081 9.15488 2647 3 44.4232 21.2793 40.6311 2648 3 5.75179 20.2706 38.311 2649 3 20.5958 4.23008 44.9802 2650 3 33.2465 23.8365 20.2958 2651 3 31.1067 10.8335 28.9652 2652 3 4.78945 46.2705 17.8365 2653 3 30.8814 23.3474 0.15525 2654 3 25.064 0.0040588 18.2162 2655 3 33.6712 17.4965 38.4088 2656 3 20.4805 15.478 38.3325 2657 3 19.6888 8.97109 27.0566 2658 3 41.7134 27.0675 24.147 2659 3 5.02268 16.2535 22.2078 2660 3 5.54312 0.207708 28.5535 2661 3 40.5776 23.6031 29.5031 2662 3 40.2222 14.7029 11.1362 2663 3 25.1676 42.0963 13.0541 2664 3 45.9567 44.0086 3.32849 2665 3 8.87447 3.2165 9.73506 2666 3 18.2913 21.5947 42.954 2667 3 26.9788 32.2528 22.9652 2668 3 38.9371 16.4786 6.37198 2669 3 14.6669 6.88373 44.8223 2670 3 40.0317 12.4617 43.9706