LAMMPS (2 Aug 2023 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Reading data file ... triclinic box = (0 0 0) to (47.997866 74.635953 16.613054) with tilt (0 -0.48044081 0) 1 by 2 by 1 MPI processor grid reading atoms ... 3960 atoms reading velocities ... 3960 velocities read_data CPU = 0.761 seconds Changing box ... triclinic box = (0 0 0) to (47.997866 74.635953 16.613054) with tilt (0 -0.48044081 0) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM Project: doi:10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_912978207512_002#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.5 ghost atom cutoff = 6.5 binsize = 3.25, bins = 15 23 6 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 4.914 | 4.914 | 4.914 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 3960 0 3879.6373 -22815.113 0 -22815.113 59514.049 6512.5261 2843.9245 2282.4613 2360.504 286.2785 -69.112046 1 3960 0 3823.6257 -22816.069 0 -22816.069 59514.049 6450.0423 2826.0298 2194.805 2351.6812 321.6598 -30.8865 2 3960 0 3781.0546 -22816.647 0 -22816.647 59514.049 6375.1643 2789.3395 2178.6598 2305.1982 328.6752 -27.80055 3 3960 0 3769.2179 -22816.943 0 -22816.943 59514.049 6284.4382 2771.4946 2251.7207 2197.1707 300.57334 -29.228414 4 3960 0 3740.8406 -22817.156 0 -22817.156 59514.049 6230.3902 2750.2578 2241.8739 2173.1496 300.09007 -22.506781 5 3960 0 3715.5774 -22817.33 0 -22817.33 59514.049 6225.8531 2726.809 2194.0701 2204.5754 309.92076 -18.918688 6 3960 0 3717.5323 -22817.452 0 -22817.452 59514.049 6211.0309 2729.6215 2211.9446 2176.2726 307.79849 -21.688538 7 3960 0 3686.0508 -22817.655 0 -22817.655 59514.049 6159.4723 2704.9096 2193.7706 2154.6195 326.66784 -32.348298 8 3960 0 3661.4804 -22817.772 0 -22817.772 59514.049 6116.7647 2681.8294 2185.8469 2135.6903 315.26334 -26.946095 9 3960 0 3653.6521 -22817.796 0 -22817.796 59514.049 6110.4966 2671.6081 2178.8516 2138.3852 311.62136 -24.76485 10 3960 0 3643.6166 -22817.83 0 -22817.83 59514.049 6101.5619 2660.5076 2168.7803 2141.1587 309.15819 -20.566352 11 3960 0 3619.6916 -22817.876 0 -22817.876 59514.049 6088.1684 2631.2644 2139.6418 2156.1195 308.56809 -18.645194 12 3960 0 3612.7149 -22817.927 0 -22817.927 59514.049 6078.8593 2620.7228 2138.5627 2151.3907 310.97957 -22.622797 13 3960 0 3615.1783 -22817.957 0 -22817.957 59514.049 6073.4064 2623.8049 2148.3236 2137.2888 313.49073 -24.792155 14 3960 0 3607.1814 -22817.972 0 -22817.972 59514.049 6068.847 2615.6262 2137.0709 2143.9038 315.60673 -25.287127 15 3960 0 3598.9641 -22818.001 0 -22818.001 59514.049 6049.8207 2607.3732 2139.6985 2125.5843 310.97317 -24.289786 16 3960 0 3591.2919 -22818.019 0 -22818.019 59514.049 6039.3581 2598.6147 2135.9031 2120.0684 311.63654 -26.286273 17 3960 0 3578.7484 -22818.05 0 -22818.05 59514.049 6026.723 2585.1574 2124.3647 2117.5485 314.8449 -27.811933 18 3960 0 3569.46 -22818.077 0 -22818.077 59514.049 6024.7907 2572.6297 2110.9595 2124.9339 314.97069 -26.016482 19 3960 0 3560.7972 -22818.11 0 -22818.11 59514.049 6016.3383 2559.1414 2106.9119 2116.9532 314.86156 -26.714931 20 3960 0 3553.643 -22818.135 0 -22818.135 59514.049 6005.3503 2551.2898 2104.289 2108.8451 314.94815 -28.263603 21 3960 0 3540.4272 -22818.159 0 -22818.159 59514.049 6000.692 2535.7327 2084.8569 2119.8117 313.96729 -27.076861 22 3960 0 3530.2678 -22818.179 0 -22818.179 59514.049 5995.2116 2521.4573 2074.1346 2121.78 312.58646 -25.558965 23 3960 0 3513.336 -22818.201 0 -22818.201 59514.049 5983.0429 2499.882 2057.0831 2120.1638 313.36405 -26.430514 24 3960 0 3497.9895 -22818.238 0 -22818.238 59514.049 5960.3103 2485.1469 2048.5112 2102.3614 313.68677 -28.706217 25 3960 0 3488.9797 -22818.254 0 -22818.254 59514.049 5948.3882 2476.7121 2041.8388 2093.0085 314.53469 -29.769477 26 3960 0 3481.7867 -22818.272 0 -22818.272 59514.049 5946.3178 2467.3033 2031.739 2100.0044 314.80818 -29.021737 27 3960 0 3480.1719 -22818.276 0 -22818.276 59514.049 5946.549 2465.1003 2028.8665 2102.014 312.8399 -27.561187 28 3960 0 3476.8805 -22818.281 0 -22818.281 59514.049 5945.8702 2461.5801 2023.1912 2105.2623 313.03542 -28.084917 29 3960 0 3476.9248 -22818.286 0 -22818.286 59514.049 5943.683 2461.8045 2025.2867 2101.8081 313.6989 -28.822445 30 3960 0 3476.723 -22818.29 0 -22818.29 59514.049 5943.4728 2461.2333 2025.4629 2101.0426 314.15875 -28.78126 31 3960 0 3476.313 -22818.292 0 -22818.292 59514.049 5942.5779 2460.3745 2025.9866 2098.7604 315.09093 -29.343961 32 3960 0 3472.4934 -22818.299 0 -22818.299 59514.049 5938.145 2455.5673 2023.7679 2094.9067 312.14262 -27.913324 33 3960 0 3468.2709 -22818.305 0 -22818.305 59514.049 5938.227 2450.7406 2015.8451 2101.3401 312.89917 -27.883125 34 3960 0 3463.9095 -22818.315 0 -22818.315 59514.049 5937.5695 2444.5064 2009.6526 2104.7869 311.24725 -27.275263 35 3960 0 3458.8562 -22818.326 0 -22818.326 59514.049 5938.7425 2436.8082 2001.018 2106.7834 312.47145 -28.918198 36 3960 0 3454.1195 -22818.336 0 -22818.336 59514.049 5936.1379 2431.6889 1994.5318 2106.1748 312.74454 -28.064089 37 3960 0 3451.9861 -22818.341 0 -22818.341 59514.049 5932.2623 2429.1471 1994.5489 2101.5839 311.4718 -27.374498 38 3960 0 3449.4168 -22818.344 0 -22818.344 59514.049 5930.5419 2426.2775 1991.431 2103.4402 312.53152 -28.191643 39 3960 0 3448.5577 -22818.345 0 -22818.345 59514.049 5929.2276 2425.4362 1991.0093 2102.4646 312.25766 -28.076095 40 3960 0 3447.4197 -22818.347 0 -22818.347 59514.049 5927.7393 2424.1604 1990.3595 2100.6115 311.5611 -27.824058 41 3960 0 3446.0687 -22818.349 0 -22818.349 59514.049 5925.135 2422.5281 1990.5429 2097.4874 311.23163 -27.878943 42 3960 0 3442.7122 -22818.352 0 -22818.352 59514.049 5923.4237 2418.4393 1986.2735 2099.1708 312.11365 -28.356426 43 3960 0 3442.0239 -22818.354 0 -22818.354 59514.049 5923.0241 2417.3238 1985.7238 2097.8005 312.27298 -28.557807 44 3960 0 3437.8253 -22818.357 0 -22818.357 59514.049 5921.9915 2411.6541 1979.8304 2097.5939 313.29251 -29.535886 45 3960 0 3434.3487 -22818.36 0 -22818.36 59514.049 5919.6341 2407.2159 1976.196 2097.3527 313.35464 -29.686062 46 3960 0 3433.481 -22818.361 0 -22818.361 59514.049 5917.684 2405.9149 1976.844 2094.9365 312.56959 -29.227085 47 3960 0 3432.0484 -22818.362 0 -22818.362 59514.049 5917.474 2403.9725 1974.6988 2095.9304 312.57458 -29.193149 48 3960 0 3430.8811 -22818.362 0 -22818.362 59514.049 5916.8328 2402.025 1973.7855 2094.6487 312.17915 -29.011875 49 3960 0 3429.5122 -22818.364 0 -22818.364 59514.049 5916.0929 2399.6737 1972.7702 2092.7421 312.1318 -29.163214 50 3960 0 3426.5336 -22818.366 0 -22818.366 59514.049 5917.0434 2395.4702 1967.0873 2095.9157 312.79404 -29.51841 51 3960 0 3424.8935 -22818.366 0 -22818.366 59514.049 5917.4276 2392.8156 1964.4373 2096.0326 312.63036 -29.373308 52 3960 0 3424.5525 -22818.368 0 -22818.368 59514.049 5916.3976 2392.1 1965.16 2093.372 312.06962 -29.053096 53 3960 0 3423.2239 -22818.37 0 -22818.37 59514.049 5916.0669 2390.4718 1963.133 2094.1588 312.38058 -29.221303 54 3960 0 3423.114 -22818.37 0 -22818.37 59514.049 5915.9574 2390.2472 1963.1374 2093.9529 312.28512 -29.139727 55 3960 0 3422.6937 -22818.371 0 -22818.371 59514.049 5915.3968 2389.5632 1963.1212 2093.3254 312.26022 -29.141304 56 3960 0 3421.7729 -22818.372 0 -22818.372 59514.049 5915.5494 2388.133 1961.6362 2093.1876 312.57349 -29.437723 57 3960 0 3414.6172 -22818.375 0 -22818.375 59514.049 5914.7383 2378.7493 1950.364 2095.6903 312.99543 -29.415638 58 3960 0 3410.183 -22818.377 0 -22818.377 59514.049 5912.6151 2372.6728 1945.261 2094.313 312.44742 -28.657347 59 3960 0 3408.6105 -22818.379 0 -22818.379 59514.049 5911.7192 2369.9335 1944.1788 2092.5921 312.34728 -28.398432 60 3960 0 3405.5944 -22818.382 0 -22818.382 59514.049 5911.0417 2365.7614 1939.9801 2092.6005 311.80814 -27.581749 61 3960 0 3404.786 -22818.384 0 -22818.384 59514.049 5910.9476 2364.3486 1939.0619 2091.5173 311.55939 -27.313471 62 3960 0 3404.4227 -22818.385 0 -22818.385 59514.049 5911.4898 2363.5831 1938.1952 2092.8757 312.15757 -27.879649 63 3960 0 3404.1076 -22818.386 0 -22818.386 59514.049 5911.5454 2363.1391 1937.6381 2093.6742 312.06346 -27.85943 64 3960 0 3404.023 -22818.386 0 -22818.386 59514.049 5911.4157 2362.8749 1937.7784 2093.5182 312.03022 -27.975652 65 3960 0 3403.5292 -22818.386 0 -22818.386 59514.049 5911.2645 2362.0985 1937.2245 2093.8088 312.10905 -28.173231 66 3960 0 3403.2123 -22818.386 0 -22818.386 59514.049 5911.1022 2361.7204 1936.8143 2093.8535 312.1087 -28.153204 67 3960 0 3403.0916 -22818.386 0 -22818.386 59514.049 5910.7099 2361.6168 1936.9481 2092.9754 312.07168 -28.102295 68 3960 0 3402.6003 -22818.387 0 -22818.387 59514.049 5910.3821 2361.1017 1936.3172 2092.7261 312.15235 -28.130096 69 3960 0 3402.0202 -22818.387 0 -22818.387 59514.049 5910.3342 2360.3887 1935.3377 2093.3497 312.20212 -28.221808 70 3960 0 3401.648 -22818.387 0 -22818.387 59514.049 5910.2082 2359.8476 1934.8881 2093.3654 312.17773 -28.32151 71 3960 0 3401.7269 -22818.387 0 -22818.387 59514.049 5910.1245 2359.8878 1935.1684 2092.9171 312.18664 -28.349613 72 3960 0 3401.4176 -22818.387 0 -22818.387 59514.049 5910.0297 2359.5078 1934.7153 2093.015 312.23495 -28.381103 73 3960 0 3401.2963 -22818.387 0 -22818.387 59514.049 5909.9627 2359.3826 1934.5435 2093.0688 312.20164 -28.35906 74 3960 0 3401.0566 -22818.387 0 -22818.387 59514.049 5909.6181 2359.1366 1934.4151 2092.5652 312.07179 -28.295981 75 3960 0 3399.8111 -22818.388 0 -22818.388 59514.049 5909.4818 2357.5855 1932.366 2093.0735 312.45525 -28.57127 76 3960 0 3395.4791 -22818.388 0 -22818.388 59514.049 5907.8262 2352.0991 1926.512 2092.7224 312.18415 -28.641038 77 3960 0 3391.0626 -22818.389 0 -22818.389 59514.049 5905.4336 2346.7567 1920.9974 2091.6695 312.25566 -29.053837 78 3960 0 3390.3466 -22818.389 0 -22818.389 59514.049 5905.2728 2345.8512 1919.9159 2091.8297 312.37111 -29.168742 79 3960 0 3390.2412 -22818.389 0 -22818.389 59514.049 5905.1982 2345.6104 1919.9151 2091.6504 312.1818 -29.068059 80 3960 0 3390.07 -22818.389 0 -22818.389 59514.049 5905.2621 2345.339 1919.6088 2091.944 312.37295 -29.18136 81 3960 0 3389.7853 -22818.39 0 -22818.39 59514.049 5905.3338 2344.893 1919.1292 2092.5186 312.31502 -28.903509 82 3960 0 3389.5611 -22818.39 0 -22818.39 59514.049 5905.4333 2344.4815 1918.7683 2092.9023 312.2209 -28.568919 83 3960 0 3389.4943 -22818.39 0 -22818.39 59514.049 5905.4477 2344.288 1918.7473 2092.7603 312.22612 -28.468733 84 3960 0 3389.5343 -22818.391 0 -22818.391 59514.049 5905.5235 2344.2165 1918.863 2092.4586 312.27184 -28.450621 85 3960 0 3389.6177 -22818.391 0 -22818.391 59514.049 5905.6264 2344.2995 1918.9271 2092.3388 312.21925 -28.381961 86 3960 0 3389.6261 -22818.391 0 -22818.391 59514.049 5905.7464 2344.2691 1918.8626 2092.3764 312.27155 -28.367818 87 3960 0 3389.5733 -22818.391 0 -22818.391 59514.049 5905.804 2344.1707 1918.7451 2092.5363 312.31671 -28.382383 88 3960 0 3389.5628 -22818.391 0 -22818.391 59514.049 5905.9667 2344.1293 1918.5924 2092.8468 312.18 -28.320114 89 3960 0 3389.5165 -22818.391 0 -22818.391 59514.049 5906.0871 2344.07 1918.3923 2093.1107 312.18852 -28.335543 90 3960 0 3389.4908 -22818.391 0 -22818.391 59514.049 5906.0181 2344.0553 1918.3989 2092.9789 312.26047 -28.361682 91 3960 0 3389.5 -22818.391 0 -22818.391 59514.049 5905.922 2344.08 1918.4979 2092.7174 312.1971 -28.294334 92 3960 0 3389.3844 -22818.391 0 -22818.391 59514.049 5905.8105 2343.9718 1918.371 2092.6156 312.3031 -28.304142 93 3960 0 3389.1141 -22818.391 0 -22818.391 59514.049 5905.6531 2343.6531 1918.0362 2092.7237 312.37485 -28.306823 94 3960 0 3388.6315 -22818.391 0 -22818.391 59514.049 5905.421 2343.0229 1917.4505 2092.8674 312.36475 -28.255595 95 3960 0 3388.0597 -22818.391 0 -22818.391 59514.049 5905.31 2342.1837 1916.6854 2092.9809 312.38181 -28.220155 96 3960 0 3387.949 -22818.391 0 -22818.391 59514.049 5905.2807 2341.9845 1916.5818 2092.898 312.36901 -28.191895 97 3960 0 3387.9994 -22818.391 0 -22818.391 59514.049 5905.5954 2341.9238 1916.479 2092.8666 312.3111 -28.112131 98 3960 0 3387.7719 -22818.391 0 -22818.391 59514.049 5905.8779 2341.5869 1915.8511 2093.3087 312.35743 -28.077637 99 3960 0 3387.5478 -22818.391 0 -22818.391 59514.049 5905.8259 2341.3119 1915.5054 2093.3981 312.30554 -28.065909 100 3960 0 3387.5245 -22818.391 0 -22818.391 59514.049 5905.7627 2341.2874 1915.5233 2093.2665 312.26811 -28.089596 101 3960 0 3387.3476 -22818.391 0 -22818.391 59514.049 5905.6259 2341.1284 1915.2885 2093.3113 312.31771 -28.139006 102 3960 0 3387.2374 -22818.391 0 -22818.391 59514.049 5905.4117 2341.0265 1915.2739 2093.0832 312.30427 -28.14225 103 3960 0 3386.874 -22818.391 0 -22818.391 59514.049 5905.0728 2340.6411 1914.9081 2092.829 312.31383 -28.209128 104 3960 0 3386.6371 -22818.391 0 -22818.391 59514.049 5904.9879 2340.3849 1914.5384 2092.8635 312.3396 -28.253278 105 3960 0 3386.5586 -22818.391 0 -22818.391 59514.049 5904.9939 2340.2556 1914.4265 2092.825 312.28677 -28.204265 106 3960 0 3386.4026 -22818.391 0 -22818.391 59514.049 5905.0867 2340.005 1914.116 2093.0518 312.29459 -28.206646 107 3960 0 3386.358 -22818.391 0 -22818.391 59514.049 5905.1768 2339.8765 1914.0209 2093.1122 312.29409 -28.202107 108 3960 0 3386.34 -22818.391 0 -22818.391 59514.049 5905.2379 2339.7944 1913.9876 2093.0915 312.28973 -28.186044 109 3960 0 3386.314 -22818.391 0 -22818.391 59514.049 5905.2118 2339.776 1913.9542 2093.0698 312.2953 -28.186673 110 3960 0 3386.271 -22818.391 0 -22818.391 59514.049 5905.1901 2339.7308 1913.8921 2093.0878 312.29323 -28.192601 111 3960 0 3386.179 -22818.391 0 -22818.391 59514.049 5905.1384 2339.6305 1913.7682 2093.1164 312.27845 -28.186431 112 3960 0 3386.0481 -22818.391 0 -22818.391 59514.049 5905.0436 2339.5028 1913.5977 2093.0996 312.26561 -28.176677 113 3960 0 3385.8321 -22818.391 0 -22818.391 59514.049 5904.8483 2339.3043 1913.3437 2092.8544 312.28945 -28.222665 114 3960 0 3385.5334 -22818.391 0 -22818.391 59514.049 5904.636 2338.9798 1912.9843 2092.6595 312.31606 -28.241274 115 3960 0 3385.339 -22818.391 0 -22818.391 59514.049 5904.6075 2338.6906 1912.7187 2092.8107 312.3057 -28.194073 116 3960 0 3385.2598 -22818.391 0 -22818.391 59514.049 5904.6522 2338.5426 1912.5845 2092.9467 312.29151 -28.185513 117 3960 0 3385.2195 -22818.391 0 -22818.391 59514.049 5904.7447 2338.4303 1912.4836 2093.076 312.27961 -28.177221 118 3960 0 3385.2052 -22818.391 0 -22818.391 59514.049 5904.795 2338.3775 1912.443 2093.1307 312.27755 -28.16499 119 3960 0 3385.2064 -22818.391 0 -22818.391 59514.049 5904.7985 2338.373 1912.4478 2093.1221 312.28157 -28.158844 120 3960 0 3385.2121 -22818.391 0 -22818.391 59514.049 5904.8082 2338.3661 1912.462 2093.0866 312.29413 -28.153092 121 3960 0 3385.2087 -22818.391 0 -22818.391 59514.049 5904.8053 2338.3616 1912.4593 2093.0638 312.30092 -28.155862 122 3960 0 3385.1371 -22818.391 0 -22818.391 59514.049 5904.7571 2338.2968 1912.3574 2093.0495 312.30288 -28.167226 123 3960 0 3384.7769 -22818.392 0 -22818.392 59514.049 5904.647 2337.8398 1911.8438 2093.1744 312.27496 -28.123215 124 3960 0 3384.214 -22818.392 0 -22818.392 59514.049 5904.5445 2337.0786 1911.0188 2093.3163 312.25099 -28.074823 125 3960 0 3383.0008 -22818.392 0 -22818.392 59514.049 5904.3164 2335.467 1909.2191 2093.4073 312.26564 -28.012728 126 3960 0 3382.8666 -22818.392 0 -22818.392 59514.049 5904.2358 2335.3363 1909.0278 2093.3216 312.31036 -28.010428 127 3960 0 3382.7549 -22818.392 0 -22818.392 59514.049 5904.214 2335.1946 1908.856 2093.2924 312.35589 -28.031751 128 3960 0 3382.6602 -22818.392 0 -22818.392 59514.049 5904.2713 2335.0064 1908.7031 2093.4061 312.34478 -28.041804 129 3960 0 3382.619 -22818.392 0 -22818.392 59514.049 5904.2709 2334.9444 1908.6418 2093.4429 312.33347 -28.026759 130 3960 0 3382.5731 -22818.392 0 -22818.392 59514.049 5904.2298 2334.9145 1908.575 2093.438 312.31659 -28.017054 131 3960 0 3382.5639 -22818.392 0 -22818.392 59514.049 5904.2397 2334.8938 1908.5581 2093.4345 312.32298 -28.058266 132 3960 0 3382.5578 -22818.392 0 -22818.392 59514.049 5904.2188 2334.8911 1908.5635 2093.4128 312.33309 -28.068964 133 3960 0 3382.5517 -22818.392 0 -22818.392 59514.049 5904.1885 2334.8957 1908.571 2093.3904 312.3323 -28.048794 134 3960 0 3382.5049 -22818.392 0 -22818.392 59514.049 5904.1444 2334.8396 1908.5307 2093.3366 312.31834 -28.07028 135 3960 0 3382.4822 -22818.392 0 -22818.392 59514.049 5904.0914 2334.833 1908.5222 2093.3038 312.31639 -28.067904 136 3960 0 3382.4792 -22818.392 0 -22818.392 59514.049 5904.0835 2334.8331 1908.5211 2093.3216 312.31831 -28.062054 137 3960 0 3382.4733 -22818.392 0 -22818.392 59514.049 5904.0948 2334.8169 1908.5083 2093.3408 312.31936 -28.065897 138 3960 0 3382.4698 -22818.392 0 -22818.392 59514.049 5904.1052 2334.8031 1908.5011 2093.3403 312.31824 -28.068038 139 3960 0 3382.4683 -22818.392 0 -22818.392 59514.049 5904.0892 2334.8065 1908.5091 2093.3196 312.31595 -28.060402 140 3960 0 3382.4371 -22818.392 0 -22818.392 59514.049 5904.0749 2334.7572 1908.4793 2093.303 312.31189 -28.076161 141 3960 0 3382.3727 -22818.392 0 -22818.392 59514.049 5904.0074 2334.6768 1908.4338 2093.2719 312.30608 -28.07184 142 3960 0 3382.3681 -22818.392 0 -22818.392 59514.049 5903.9951 2334.6775 1908.4318 2093.2736 312.30724 -28.060743 143 3960 0 3382.3644 -22818.392 0 -22818.392 59514.049 5904.0048 2334.6687 1908.4196 2093.2854 312.30936 -28.065532 144 3960 0 3382.361 -22818.392 0 -22818.392 59514.049 5904.013 2334.6613 1908.4086 2093.2915 312.31077 -28.067056 145 3960 0 3382.3555 -22818.392 0 -22818.392 59514.049 5904.0204 2334.6515 1908.3947 2093.296 312.31179 -28.065722 146 3960 0 3382.3544 -22818.392 0 -22818.392 59514.049 5904.0175 2334.6507 1908.3949 2093.2942 312.31126 -28.064304 147 3960 0 3382.3502 -22818.392 0 -22818.392 59514.049 5904.0103 2334.6464 1908.3938 2093.2919 312.31085 -28.063475 148 3960 0 3382.3466 -22818.392 0 -22818.392 59514.049 5904.0079 2334.6417 1908.3902 2093.2913 312.31116 -28.063772 149 3960 0 3382.3356 -22818.392 0 -22818.392 59514.049 5904.0064 2334.6258 1908.3746 2093.2862 312.31175 -28.06378 150 3960 0 3382.3034 -22818.392 0 -22818.392 59514.049 5903.997 2334.5826 1908.3306 2093.2727 312.31218 -28.060715 151 3960 0 3382.2528 -22818.392 0 -22818.392 59514.049 5903.9767 2334.5194 1908.2622 2093.2755 312.31404 -28.055368 152 3960 0 3382.2233 -22818.392 0 -22818.392 59514.049 5903.971 2334.4801 1908.2188 2093.2903 312.31653 -28.054487 153 3960 0 3382.1928 -22818.392 0 -22818.392 59514.049 5903.9742 2334.4343 1908.1698 2093.3059 312.31738 -28.052281 154 3960 0 3382.1673 -22818.392 0 -22818.392 59514.049 5903.9783 2334.3961 1908.1275 2093.3087 312.31643 -28.048737 155 3960 0 3382.1691 -22818.392 0 -22818.392 59514.049 5903.9773 2334.401 1908.1292 2093.3007 312.31675 -28.049931 156 3960 0 3382.1683 -22818.392 0 -22818.392 59514.049 5903.9762 2334.4015 1908.1274 2093.299 312.31758 -28.051853 157 3960 0 3382.1635 -22818.392 0 -22818.392 59514.049 5903.9754 2334.3939 1908.1211 2093.3047 312.31745 -28.052211 158 3960 0 3382.1613 -22818.392 0 -22818.392 59514.049 5903.9741 2334.3905 1908.1192 2093.3049 312.3163 -28.051475 159 3960 0 3382.1587 -22818.392 0 -22818.392 59514.049 5903.9701 2334.3883 1908.1179 2093.3015 312.31486 -28.051453 160 3960 0 3382.1522 -22818.392 0 -22818.392 59514.049 5903.9598 2334.383 1908.1139 2093.2942 312.31254 -28.052657 161 3960 0 3382.145 -22818.392 0 -22818.392 59514.049 5903.9557 2334.374 1908.1055 2093.2956 312.31163 -28.0533 162 3960 0 3382.1442 -22818.392 0 -22818.392 59514.049 5903.9578 2334.3726 1908.1023 2093.2974 312.31185 -28.053731 163 3960 0 3382.143 -22818.392 0 -22818.392 59514.049 5903.9586 2334.3713 1908.0992 2093.2994 312.31231 -28.053999 164 3960 0 3382.1385 -22818.392 0 -22818.392 59514.049 5903.9607 2334.3646 1908.09 2093.305 312.31308 -28.054133 165 3960 0 3382.1226 -22818.392 0 -22818.392 59514.049 5903.9651 2334.3385 1908.0642 2093.3163 312.3135 -28.052511 166 3960 0 3382.0954 -22818.392 0 -22818.392 59514.049 5903.9593 2334.3003 1908.0266 2093.3212 312.31594 -28.050737 167 3960 0 3382.0835 -22818.392 0 -22818.392 59514.049 5903.9448 2334.29 1908.0157 2093.3092 312.31908 -28.052652 168 3960 0 3382.0594 -22818.392 0 -22818.392 59514.049 5903.9311 2334.2594 1907.9876 2093.3066 312.31845 -28.05056 169 3960 0 3382.0524 -22818.392 0 -22818.392 59514.049 5903.9266 2334.2509 1907.9797 2093.3086 312.31683 -28.048899 170 3960 0 3382.0501 -22818.392 0 -22818.392 59514.049 5903.9244 2334.2494 1907.9764 2093.3064 312.31595 -28.048738 171 3960 0 3382.0441 -22818.392 0 -22818.392 59514.049 5903.9226 2334.2442 1907.9655 2093.3065 312.31455 -28.047994 172 3960 0 3382.0293 -22818.392 0 -22818.392 59514.049 5903.9221 2334.2288 1907.937 2093.3139 312.31294 -28.046927 173 3960 0 3382.0264 -22818.392 0 -22818.392 59514.049 5903.9225 2334.2251 1907.9317 2093.3153 312.31385 -28.048257 174 3960 0 3382.0253 -22818.392 0 -22818.392 59514.049 5903.9226 2334.2234 1907.9298 2093.3156 312.31423 -28.048633 175 3960 0 3382.0242 -22818.392 0 -22818.392 59514.049 5903.9226 2334.2216 1907.9284 2093.3153 312.3143 -28.048776 176 3960 0 3382.0208 -22818.392 0 -22818.392 59514.049 5903.9216 2334.2156 1907.9252 2093.3133 312.31385 -28.048888 177 3960 0 3382.0179 -22818.392 0 -22818.392 59514.049 5903.9206 2334.211 1907.922 2093.3121 312.31349 -28.048588 178 3960 0 3382.0126 -22818.392 0 -22818.392 59514.049 5903.9194 2334.2041 1907.9141 2093.312 312.31391 -28.048391 179 3960 0 3382.0014 -22818.392 0 -22818.392 59514.049 5903.9183 2334.1882 1907.8976 2093.3117 312.31532 -28.049473 180 3960 0 3381.9933 -22818.392 0 -22818.392 59514.049 5903.9172 2334.1764 1907.8863 2093.311 312.31412 -28.047318 181 3960 0 3381.9845 -22818.392 0 -22818.392 59514.049 5903.9161 2334.164 1907.8735 2093.3105 312.3127 -28.045087 182 3960 0 3381.9823 -22818.392 0 -22818.392 59514.049 5903.9156 2334.1616 1907.8697 2093.3111 312.31329 -28.045963 183 3960 0 3381.9818 -22818.392 0 -22818.392 59514.049 5903.9149 2334.161 1907.8694 2093.3116 312.31422 -28.04682 184 3960 0 3381.9805 -22818.392 0 -22818.392 59514.049 5903.9141 2334.1585 1907.8688 2093.3126 312.31541 -28.04756 185 3960 0 3381.9767 -22818.392 0 -22818.392 59514.049 5903.9137 2334.1517 1907.8645 2093.3146 312.31598 -28.047767 186 3960 0 3381.9743 -22818.392 0 -22818.392 59514.049 5903.9121 2334.1496 1907.8612 2093.3142 312.31487 -28.047026 187 3960 0 3381.9743 -22818.392 0 -22818.392 59514.049 5903.9121 2334.1496 1907.8612 2093.3142 312.31487 -28.047026 Loop time of 9.89447 on 2 procs for 187 steps with 3960 atoms 99.9% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -22815.1132008227 -22818.3916349897 -22818.3916349897 Force two-norm initial, final = 5.1433021 0.0004130349 Force max component initial, final = 0.61369243 4.952931e-05 Final line search alpha, max atom move = 0.0625 3.0955819e-06 Iterations, force evaluations = 187 802 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 9.7497 | 9.7757 | 9.8018 | 0.8 | 98.80 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.058452 | 0.084402 | 0.11035 | 8.9 | 0.85 Output | 0.0087182 | 0.010171 | 0.011623 | 1.4 | 0.10 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.02415 | | | 0.24 Nlocal: 1980 ave 1980 max 1980 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 4000 ave 4001 max 3999 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 154164 ave 154188 max 154140 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 308328 Ave neighs/atom = 77.860606 Neighbor list builds = 0 Dangerous builds = 0 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.5 ghost atom cutoff = 6.5 binsize = 3.25, bins = 15 23 6 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 187 WARNING: Energy due to 6 extra global DOFs will be included in minimizer energies (src/min.cpp:225) Per MPI rank memory allocation (min/avg/max) = 4.914 | 4.914 | 4.914 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 187 3960 0 3381.9743 -22818.392 0 -22818.392 59514.049 5903.9121 2334.1496 1907.8612 2093.3142 312.31487 -28.047026 188 3960 0 2883.4969 -22818.42 0 -22818.42 59524.277 5342.828 1864.6216 1443.0411 2089.6222 247.51706 -40.056733 189 3960 0 2414.2168 -22818.444 0 -22818.444 59533.914 4806.4775 1426.2975 1009.8754 2085.7816 191.30381 -48.826594 190 3960 0 1977.7274 -22818.465 0 -22818.465 59542.884 4297.9018 1023.0105 612.26987 2081.7253 143.58321 -54.436996 191 3960 0 1578.0007 -22818.483 0 -22818.483 59551.103 3820.4641 658.99517 254.54272 2077.3678 104.15473 -57.025925 192 3960 0 1219.2552 -22818.498 0 -22818.498 59558.48 3377.7393 338.74389 -58.717684 2072.5981 72.66955 -56.810087 193 3960 0 905.66871 -22818.512 0 -22818.512 59564.927 2973.2744 66.695002 -322.96325 2067.2706 48.587008 -54.108219 194 3960 0 640.86118 -22818.525 0 -22818.525 59570.366 2610.1541 -153.32537 -534.24521 2061.1949 31.13694 -49.361169 195 3960 0 427.10321 -22818.537 0 -22818.537 59574.749 2290.3371 -318.95641 -690.07106 2054.1253 19.307828 -43.137978 196 3960 0 264.32039 -22818.549 0 -22818.549 59578.075 2013.8182 -430.37315 -790.48383 2045.7536 11.889306 -36.110918 197 3960 0 149.19712 -22818.561 0 -22818.561 59580.413 1777.8738 -491.24693 -839.03549 2035.7086 7.5920096 -28.984651 198 3960 0 74.927179 -22818.573 0 -22818.573 59581.902 1576.851 -509.00731 -843.06212 2023.5634 5.2317182 -22.38409 199 3960 0 32.096447 -22818.585 0 -22818.585 59582.739 1402.91 -493.88643 -812.73419 2008.8426 3.9058674 -16.740402 200 3960 0 10.575588 -22818.596 0 -22818.596 59583.133 1247.6208 -456.8821 -759.01198 1991.0144 3.0663964 -12.234557 201 3960 0 1.7834881 -22818.608 0 -22818.608 59583.264 1107.5379 -408.91338 -693.27401 1970.0326 2.4733301 -8.9183815 202 3960 0 -0.88911626 -22818.617 0 -22818.617 59583.273 987.09642 -361.34343 -628.42034 1947.3791 2.0556965 -6.7255976 203 3960 0 -1.5711447 -22818.626 0 -22818.626 59583.244 880.77316 -317.56081 -567.92578 1923.1943 1.7452695 -5.2280467 204 3960 0 -1.6434065 -22818.634 0 -22818.634 59583.206 785.96038 -278.29694 -512.59367 1897.6177 1.5047807 -4.1622541 205 3960 0 -1.5535171 -22818.641 0 -22818.641 59583.167 701.1214 -243.42794 -462.35401 1870.7798 1.3111453 -3.3689371 206 3960 0 -1.4388673 -22818.648 0 -22818.648 59583.13 625.14688 -212.58679 -416.87669 1842.7995 1.1501025 -2.7522436 207 3960 0 -1.3367736 -22818.654 0 -22818.654 59583.095 557.12879 -185.36424 -375.77487 1813.7848 1.012797 -2.2544422 208 3960 0 -1.2538165 -22818.66 0 -22818.66 59583.062 496.27816 -161.37052 -338.66909 1783.8333 0.89364259 -1.8405306 209 3960 0 -1.1880582 -22818.665 0 -22818.665 59583.031 441.89202 -140.25102 -305.20517 1753.0332 0.78901818 -1.4889709 210 3960 0 -1.1358363 -22818.671 0 -22818.671 59583.001 393.33758 -121.68771 -275.05739 1721.4647 0.6964822 -1.186179 211 3960 0 -1.0936739 -22818.675 0 -22818.675 59582.972 350.04257 -105.39632 -247.92727 1689.2004 0.61430472 -0.92326355 212 3960 0 -1.0587115 -22818.68 0 -22818.68 59582.945 311.48816 -91.122928 -223.54137 1656.3063 0.54119082 -0.69410382 213 3960 0 -1.0287151 -22818.685 0 -22818.685 59582.918 277.2033 -78.640503 -201.64895 1622.8426 0.47611646 -0.49423087 214 3960 0 -1.0019836 -22818.689 0 -22818.689 59582.893 246.75987 -67.74595 -182.01987 1588.864 0.41823224 -0.32018635 215 3960 0 -0.9772463 -22818.693 0 -22818.693 59582.868 219.76848 -58.257462 -164.44276 1554.4203 0.3668099 -0.16913997 216 3960 0 -0.95356998 -22818.697 0 -22818.697 59582.843 195.87487 -50.012234 -148.72334 1519.5569 0.32120481 -0.038679149 217 3960 0 -0.93029197 -22818.701 0 -22818.701 59582.819 174.75661 -42.864474 -134.68301 1484.3155 0.28084077 0.073315898 218 3960 0 -0.90695695 -22818.704 0 -22818.704 59582.796 156.12034 -36.683648 -122.15757 1448.7337 0.24519422 0.16874217 219 3960 0 -0.88326515 -22818.708 0 -22818.708 59582.773 139.69922 -31.352935 -110.99608 1412.8461 0.21378779 0.24931716 220 3960 0 -0.85903781 -22818.711 0 -22818.711 59582.75 125.25063 -26.767871 -101.05987 1376.684 0.18618522 0.31660462 221 3960 0 -0.8341884 -22818.715 0 -22818.715 59582.728 112.55421 -22.835136 -92.221642 1340.2761 0.16198741 0.37203333 222 3960 0 -0.8086931 -22818.718 0 -22818.718 59582.706 101.41001 -19.471471 -84.364617 1303.6484 0.14082867 0.41690774 223 3960 0 -0.7825811 -22818.721 0 -22818.721 59582.685 91.636812 -16.602725 -77.38183 1266.8245 0.12237718 0.45241828 224 3960 0 -0.75590969 -22818.724 0 -22818.724 59582.664 83.070679 -14.162971 -71.175437 1229.826 0.10632669 0.47964886 225 3960 0 -0.72875878 -22818.727 0 -22818.727 59582.643 75.563551 -12.093731 -65.656097 1192.6722 0.092400605 0.49958533 226 3960 0 -0.70122421 -22818.73 0 -22818.73 59582.623 68.981997 -10.343266 -60.742403 1155.3807 0.080348955 0.51312234 227 3960 0 -0.67340212 -22818.733 0 -22818.733 59582.603 63.206061 -8.8659269 -56.360341 1117.9674 0.069941503 0.52106732 228 3960 0 -0.64538894 -22818.735 0 -22818.735 59582.583 58.128199 -7.62156 -52.442806 1080.4465 0.060972139 0.52414895 229 3960 0 -0.61728263 -22818.738 0 -22818.738 59582.563 53.652277 -6.5749861 -48.929139 1042.8308 0.053255929 0.52302145 230 3960 0 -0.58917271 -22818.74 0 -22818.74 59582.544 49.69266 -5.6954967 -45.764682 1005.1317 0.046625984 0.51827021 231 3960 0 -0.56114311 -22818.743 0 -22818.743 59582.524 46.173353 -4.9564077 -42.900374 967.35946 0.040933483 0.51041706 232 3960 0 -0.53327034 -22818.745 0 -22818.745 59582.506 43.027195 -4.3346466 -40.292359 929.52305 0.036045476 0.49992447 233 3960 0 -0.50562513 -22818.747 0 -22818.747 59582.487 40.19511 -3.8103748 -37.90161 891.63046 0.031844987 0.48720106 234 3960 0 -0.47826817 -22818.749 0 -22818.749 59582.469 37.625401 -3.3666331 -35.693573 853.68869 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0.21774578 0.26237419 714 3960 0 -1.1437946 -22818.774 0 -22818.774 59582.172 -1.0102911 -1.5112786 -0.90981428 0.84204971 -0.2471713 0.5041902 715 3960 0 0.12879234 -22818.774 0 -22818.774 59582.145 0.2333548 -0.16307588 0.31609811 0.8217809 0.076428914 0.21510024 716 3960 0 -0.047667971 -22818.774 0 -22818.774 59582.149 0.020711062 -0.20338323 0.039668251 0.76226417 -0.21161247 -0.21132527 717 3960 0 -0.12965917 -22818.774 0 -22818.774 59582.151 -0.15098526 -0.014996962 -0.22299528 0.60419672 0.44338256 -0.14046342 718 3960 0 0.56368856 -22818.774 0 -22818.774 59582.136 0.11496335 2.351522 -0.77541972 -0.65971625 -0.94291213 0.051288894 719 3960 0 0.35915105 -22818.774 0 -22818.774 59582.14 -0.43369366 3.3323168 -1.82117 -1.9073998 -0.22341899 0.61587868 720 3960 0 -0.59980036 -22818.774 0 -22818.774 59582.16 -1.1903318 1.4815193 -2.0905886 -2.1660802 0.63799085 -0.017269294 721 3960 0 -0.088914063 -22818.774 0 -22818.774 59582.149 -0.48320865 1.3080858 -1.0916193 -2.1339836 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0.16533808 730 3960 0 0.77342895 -22818.774 0 -22818.774 59582.132 0.91457761 0.39389272 1.0118165 -0.041065095 -0.33952201 -0.16171962 731 3960 0 -1.9695924 -22818.774 0 -22818.774 59582.189 -1.6029981 -3.0812749 -1.224504 0.021251707 0.045104499 -0.34425109 732 3960 0 -2.1051481 -22818.774 0 -22818.774 59582.191 -0.98828363 -5.6465575 0.31939667 0.33512481 1.9470214 0.29996695 733 3960 0 1.9991301 -22818.774 0 -22818.774 59582.106 3.9971479 -4.0910373 6.0912798 0.79994233 -0.71124753 -0.17706064 734 3960 0 -30.276629 -22818.774 0 -22818.774 59582.779 -32.22911 -26.986558 -31.614219 10.544957 -1.1012965 9.5067092 735 3960 0 -10.35038 -22818.774 0 -22818.774 59582.37 -15.774561 1.8709242 -17.147502 20.566886 -0.68666654 9.2731354 736 3960 0 10.359557 -22818.774 0 -22818.774 59581.94 7.072961 18.148675 5.857034 19.598944 -0.87184487 -2.5007955 737 3960 0 -1.5038553 -22818.774 0 -22818.774 59582.184 -1.3683211 -0.92401257 -2.2192321 17.206986 3.0453254 -6.4740378 738 3960 0 -5.3220639 -22818.774 0 -22818.774 59582.262 -2.8448971 -9.1194842 -4.0018104 14.676988 -1.9206734 -1.8028468 739 3960 0 2.2167639 -22818.774 0 -22818.774 59582.106 4.6010082 -1.4667014 3.5159848 13.446825 1.5752597 1.9823508 740 3960 0 8.6259769 -22818.774 0 -22818.774 59581.972 9.1858794 8.6162565 8.0757947 8.6489986 -2.7552225 1.9415363 741 3960 0 -5.1702585 -22818.774 0 -22818.774 59582.256 -6.5239352 -1.9896522 -6.9971881 3.8563665 1.6799872 0.71301741 742 3960 0 -5.0498088 -22818.774 0 -22818.774 59582.253 -6.8998997 -1.0898044 -7.1597223 1.4860871 0.62896994 -1.0423448 743 3960 0 -0.32390614 -22818.774 0 -22818.774 59582.155 -1.837045 2.9854677 -2.1201411 1.4147292 -0.10260735 -0.57319567 744 3960 0 0.39466796 -22818.774 0 -22818.774 59582.14 -0.48755949 2.3511579 -0.67959453 1.3148666 0.37717802 0.35209219 745 3960 0 -0.023870224 -22818.774 0 -22818.774 59582.148 -0.6456777 1.3969338 -0.8228668 1.2645677 -0.26958505 0.025038272 746 3960 0 -0.19807881 -22818.774 0 -22818.774 59582.152 -0.28414449 0.027495455 -0.3375874 1.1144403 0.64129502 0.040139385 747 3960 0 -0.1213839 -22818.774 0 -22818.774 59582.15 0.090324445 -0.5215325 0.067056359 1.0136549 0.34457419 -0.12042264 748 3960 0 0.011372094 -22818.774 0 -22818.774 59582.147 0.19831291 -0.30874065 0.14454402 0.98042496 -0.16882641 -0.13836938 749 3960 0 0.17917373 -22818.774 0 -22818.774 59582.144 0.21414015 0.19037389 0.13300714 0.8226563 -0.06643882 0.32736451 750 3960 0 -0.64968449 -22818.774 0 -22818.774 59582.161 -0.80648372 -0.28613954 -0.85643021 0.53042319 0.36409335 -0.26692934 751 3960 0 -0.46339489 -22818.774 0 -22818.774 59582.157 -0.73549624 0.1327912 -0.78747964 0.23609162 0.053912168 -0.70494916 752 3960 0 0.38493007 -22818.774 0 -22818.774 59582.139 0.14893527 0.91302385 0.092831077 0.079923167 -0.080410444 -0.16598575 753 3960 0 -0.2756124 -22818.774 0 -22818.774 59582.153 -0.43185241 0.065174669 -0.46015945 0.059602449 0.15940669 0.12240563 754 3960 0 -0.47784974 -22818.774 0 -22818.774 59582.157 -0.36451104 -0.71154907 -0.3574891 0.022995671 -0.28437035 0.1965035 755 3960 0 -0.012440191 -22818.774 0 -22818.774 59582.147 0.27442662 -0.63636558 0.32461839 -0.0020175133 -0.1350155 0.19019155 756 3960 0 0.021899139 -22818.774 0 -22818.774 59582.147 0.16168696 -0.3038016 0.20781206 0.0021941921 0.31005695 -0.042597771 757 3960 0 0.021899139 -22818.774 0 -22818.774 59582.147 0.16168696 -0.3038016 0.20781206 0.0021941921 0.31005695 -0.042597771 Loop time of 38.5516 on 2 procs for 570 steps with 3960 atoms 99.9% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -22818.3916349897 -22818.7744570997 -22818.7744570997 Force two-norm initial, final = 256.63356 0.058893105 Force max component initial, final = 219.30525 0.051854616 Final line search alpha, max atom move = 3.8583681e-06 2.000742e-07 Iterations, force evaluations = 570 3254 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 37.983 | 38.006 | 38.029 | 0.4 | 98.58 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.16093 | 0.18489 | 0.20886 | 5.6 | 0.48 Output | 0.024788 | 0.029019 | 0.03325 | 2.5 | 0.08 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.3318 | | | 0.86 Nlocal: 1980 ave 1980 max 1980 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 4004.5 ave 4005 max 4004 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 154104 ave 154104 max 154104 min Histogram: 2 0 0 0 0 0 0 0 0 0 Total # of neighbors = 308208 Ave neighs/atom = 77.830303 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:51