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 (124.75048 189.98313 38.777745) with tilt (0 -0.43132001 0) 1 by 2 by 1 MPI processor grid reading atoms ... 61152 atoms reading velocities ... 61152 velocities read_data CPU = 0.212 seconds Changing box ... triclinic box = (0 0 0) to (124.75048 189.98313 38.777745) with tilt (0 -0.43132001 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_500121566391_004#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 = 5.3 ghost atom cutoff = 5.3 binsize = 2.65, bins = 48 72 15 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 20.15 | 20.15 | 20.15 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 61152 0 571.35857 -352731.38 0 -352731.38 919051.38 1006.3204 490.92059 216.83476 363.02039 0.92754367 20.838825 1 61152 0 572.82065 -352734.83 0 -352734.83 919051.38 1016.7261 506.96431 194.77155 377.28262 0.64159918 22.360668 2 61152 0 594.5693 -352737.11 0 -352737.11 919051.38 1051.4081 541.81715 190.48266 394.37356 0.66937572 22.043621 3 61152 0 616.39127 -352738.37 0 -352738.37 919051.38 1061.7383 573.14833 214.28716 400.6676 2.2337521 22.924071 4 61152 0 630.67469 -352739.24 0 -352739.24 919051.38 1083.3385 587.66285 221.02275 403.73049 4.0051539 23.556261 5 61152 0 651.04624 -352739.89 0 -352739.89 919051.38 1111.5858 603.43413 238.11877 406.25963 5.1286729 21.930316 6 61152 0 663.96308 -352740.26 0 -352740.26 919051.38 1132.2562 605.64295 253.99011 405.37534 5.4953448 23.057205 7 61152 0 672.59617 -352740.43 0 -352740.43 919051.38 1152.9949 603.49611 261.29751 405.86232 6.569363 23.989524 8 61152 0 667.02528 -352740.54 0 -352740.54 919051.38 1152.491 592.90437 255.68051 404.66381 6.7250053 24.590238 9 61152 0 664.21253 -352740.6 0 -352740.6 919051.38 1151.1987 587.55213 253.88678 403.34465 6.5693851 24.058833 10 61152 0 663.7206 -352740.63 0 -352740.63 919051.38 1148.935 588.15587 254.07092 403.26078 6.7200629 24.38502 11 61152 0 663.75128 -352740.66 0 -352740.66 919051.38 1146.7193 589.98219 254.55235 403.52827 6.8122378 24.647338 12 61152 0 663.76676 -352740.7 0 -352740.7 919051.38 1145.4788 591.08712 254.73435 403.44648 6.962522 24.685337 13 61152 0 662.07143 -352740.76 0 -352740.76 919051.38 1143.4205 589.91345 252.88037 403.55096 7.4329568 24.688512 14 61152 0 657.63867 -352740.81 0 -352740.81 919051.38 1136.9576 584.68605 251.27241 402.2601 7.7704142 25.646074 15 61152 0 654.68638 -352740.87 0 -352740.87 919051.38 1134.611 580.79489 248.65328 402.67273 8.4288619 26.208151 16 61152 0 657.36282 -352740.92 0 -352740.92 919051.38 1140.3438 582.54363 249.20107 404.0572 8.7455019 25.781366 17 61152 0 659.54153 -352740.96 0 -352740.96 919051.38 1143.1205 583.38134 252.12272 404.0334 8.6983844 25.764402 18 61152 0 659.31826 -352740.99 0 -352740.99 919051.38 1142.1583 582.75389 253.04262 404.1872 8.7242087 25.831263 19 61152 0 658.85162 -352741.03 0 -352741.03 919051.38 1143.6533 581.18461 251.71689 404.51177 8.8320859 25.620041 20 61152 0 658.1876 -352741.06 0 -352741.06 919051.38 1145.2446 578.38398 250.93424 404.76441 8.5213633 25.287372 21 61152 0 657.2051 -352741.09 0 -352741.09 919051.38 1142.7164 577.66073 251.23816 404.46446 8.2106802 25.070322 22 61152 0 655.03729 -352741.12 0 -352741.12 919051.38 1137.6156 578.27595 249.22027 404.61581 8.4245579 25.213228 23 61152 0 651.87859 -352741.13 0 -352741.13 919051.38 1130.7967 577.7581 247.08095 404.54724 8.1435346 25.135669 24 61152 0 649.72428 -352741.18 0 -352741.18 919051.38 1127.3517 575.25685 246.56433 404.01397 7.3522719 24.819533 25 61152 0 647.67073 -352741.23 0 -352741.23 919051.38 1125.8335 573.1279 244.05081 404.14791 7.6176876 24.918017 26 61152 0 647.2027 -352741.24 0 -352741.24 919051.38 1125.9185 572.55633 243.13327 404.24509 7.9338162 24.953315 27 61152 0 648.00065 -352741.25 0 -352741.25 919051.38 1127.211 572.47713 244.31385 404.15306 7.800158 24.910314 28 61152 0 649.73613 -352741.27 0 -352741.27 919051.38 1129.8046 573.19618 246.20755 404.38495 7.7161176 24.922689 29 61152 0 650.96495 -352741.27 0 -352741.27 919051.38 1132.6038 573.43585 246.85518 404.71865 7.9426722 25.014299 30 61152 0 650.17904 -352741.29 0 -352741.29 919051.38 1132.1333 572.46164 245.94216 404.61501 8.0111814 25.055437 31 61152 0 649.62861 -352741.3 0 -352741.3 919051.38 1130.9754 571.78892 246.12157 404.39781 7.9519101 25.043171 32 61152 0 649.88029 -352741.31 0 -352741.31 919051.38 1131.3467 571.79811 246.49611 404.41954 8.0629355 25.106134 33 61152 0 649.49736 -352741.32 0 -352741.32 919051.38 1132.0316 571.25182 245.20864 404.54714 8.0743106 25.230109 34 61152 0 647.42172 -352741.36 0 -352741.36 919051.38 1129.3989 569.59399 243.27223 404.52661 8.1389119 25.315989 35 61152 0 645.9494 -352741.4 0 -352741.4 919051.38 1125.5314 568.55815 243.75866 404.07334 8.2833122 25.382465 36 61152 0 644.71628 -352741.43 0 -352741.43 919051.38 1124.4406 566.92651 242.7817 404.0466 8.3408603 25.403136 37 61152 0 644.40403 -352741.48 0 -352741.48 919051.38 1125.5309 565.36391 242.31722 404.56479 8.4295334 25.2692 38 61152 0 644.88196 -352741.57 0 -352741.57 919051.38 1126.8392 564.36905 243.4376 405.40137 8.4329598 25.131384 39 61152 0 643.186 -352741.61 0 -352741.61 919051.38 1125.8763 561.87555 241.80613 405.53523 8.3449869 25.409221 40 61152 0 641.51175 -352741.64 0 -352741.64 919051.38 1124.0278 560.2126 240.29488 405.05524 8.5606543 25.49934 41 61152 0 640.67155 -352741.66 0 -352741.66 919051.38 1122.3325 559.66036 240.02183 404.90452 8.4599743 25.249872 42 61152 0 639.91511 -352741.68 0 -352741.68 919051.38 1120.7763 559.3651 239.60392 405.03427 8.2288681 25.1122 43 61152 0 638.82542 -352741.69 0 -352741.69 919051.38 1119.3474 558.76989 238.35894 405.08261 8.2953875 25.320286 44 61152 0 638.47278 -352741.7 0 -352741.7 919051.38 1118.6963 558.63475 238.08731 405.19751 8.2067187 25.339531 45 61152 0 638.33891 -352741.71 0 -352741.71 919051.38 1118.1499 558.49187 238.37495 405.07831 8.126102 25.112482 46 61152 0 637.07622 -352741.72 0 -352741.72 919051.38 1116.8154 557.19626 237.21701 404.87748 8.1875454 25.067851 47 61152 0 635.00943 -352741.73 0 -352741.73 919051.38 1114.615 554.74237 235.67089 404.65072 7.9822045 25.103133 48 61152 0 634.61581 -352741.78 0 -352741.78 919051.38 1114.5737 553.38781 235.88593 405.02183 7.6662733 24.943719 49 61152 0 635.31332 -352741.8 0 -352741.8 919051.38 1116.2073 554.08006 235.65256 405.55461 7.827844 24.734988 50 61152 0 635.2238 -352741.82 0 -352741.82 919051.38 1115.0096 554.71988 235.94189 405.4914 7.5470595 24.68003 51 61152 0 634.46764 -352741.82 0 -352741.82 919051.38 1112.9815 554.60738 235.81408 405.38846 7.7617171 24.896883 52 61152 0 633.37155 -352741.83 0 -352741.83 919051.38 1111.698 553.54573 234.87094 404.89552 7.7611617 24.994028 53 61152 0 633.12378 -352741.84 0 -352741.84 919051.38 1112.2207 552.97188 234.17875 404.99547 7.8946525 25.014917 54 61152 0 633.60958 -352741.85 0 -352741.85 919051.38 1112.7698 552.93428 235.1247 404.83811 8.1437192 25.195771 55 61152 0 634.32544 -352741.86 0 -352741.86 919051.38 1114.4334 552.92167 235.62122 405.22265 8.3009687 25.253 56 61152 0 634.6841 -352741.88 0 -352741.88 919051.38 1115.881 552.88292 235.28837 405.62717 8.3743015 25.189722 57 61152 0 634.76253 -352741.88 0 -352741.88 919051.38 1115.6628 552.94544 235.67938 405.43372 8.4347473 25.280236 58 61152 0 634.60347 -352741.89 0 -352741.89 919051.38 1115.3342 552.80852 235.66771 405.40708 8.4140574 25.301031 59 61152 0 634.14155 -352741.89 0 -352741.89 919051.38 1114.6417 552.42126 235.3617 405.05861 8.3556139 25.274756 60 61152 0 633.27217 -352741.89 0 -352741.89 919051.38 1113.4712 551.87866 234.46662 404.93067 8.1845978 25.200033 61 61152 0 633.12872 -352741.9 0 -352741.9 919051.38 1113.0721 551.97204 234.34201 405.19011 8.1160834 25.189589 62 61152 0 633.2301 -352741.91 0 -352741.91 919051.38 1112.7203 552.21479 234.75518 405.13561 8.1129673 25.191098 63 61152 0 633.26543 -352741.91 0 -352741.91 919051.38 1113.0828 552.19914 234.51432 405.3846 8.094029 25.120895 64 61152 0 633.40862 -352741.91 0 -352741.91 919051.38 1113.4921 552.12968 234.60405 405.41203 8.0512815 24.984729 65 61152 0 633.45476 -352741.92 0 -352741.92 919051.38 1113.3124 551.94358 235.10835 405.46963 8.1059386 25.039492 66 61152 0 632.41729 -352741.94 0 -352741.94 919051.38 1113.4096 550.38165 233.4606 405.50102 8.0446122 24.894381 67 61152 0 631.57314 -352741.95 0 -352741.95 919051.38 1112.8233 549.08619 232.80996 405.07317 8.0334498 24.895526 68 61152 0 631.70566 -352741.97 0 -352741.97 919051.38 1111.8236 549.42593 233.86746 405.04003 8.0910492 25.135684 69 61152 0 631.40486 -352742 0 -352742 919051.38 1111.71 549.33918 233.16537 405.44736 7.9990764 25.083147 70 61152 0 631.244 -352742 0 -352742 919051.38 1111.3412 549.30711 233.08369 405.16014 7.9798963 25.049778 71 61152 0 631.18637 -352742.01 0 -352742.01 919051.38 1111.0579 549.43986 233.06132 405.14723 7.9766539 25.038715 72 61152 0 631.09632 -352742.02 0 -352742.02 919051.38 1110.7881 549.52535 232.97548 405.4837 7.9898782 25.070986 73 61152 0 630.75338 -352742.02 0 -352742.02 919051.38 1110.2148 549.06074 232.98456 405.22671 8.0224652 25.135439 74 61152 0 630.46262 -352742.03 0 -352742.03 919051.38 1110.4083 548.50931 232.47026 405.23877 8.0493496 25.106449 75 61152 0 630.50704 -352742.03 0 -352742.03 919051.38 1110.5222 548.43114 232.56774 405.16987 8.0156785 25.033314 76 61152 0 630.8437 -352742.04 0 -352742.04 919051.38 1111.2539 548.56304 232.7142 405.8485 8.2680136 25.233286 77 61152 0 631.04527 -352742.06 0 -352742.06 919051.38 1111.8285 548.23692 233.07036 406.10421 8.508829 25.248295 78 61152 0 630.28596 -352742.08 0 -352742.08 919051.38 1111.304 546.95522 232.59861 405.50345 8.2835319 24.885126 79 61152 0 629.07089 -352742.11 0 -352742.11 919051.38 1110.4671 545.42074 231.32483 405.52038 8.3449646 25.076814 80 61152 0 628.39478 -352742.13 0 -352742.13 919051.38 1108.8256 545.0632 231.29552 405.39207 8.5445442 25.486542 81 61152 0 627.74573 -352742.14 0 -352742.14 919051.38 1107.9347 544.616 230.68654 405.29883 8.3284756 25.316654 82 61152 0 627.45812 -352742.15 0 -352742.15 919051.38 1108.1136 544.31785 229.94287 405.51789 8.3270149 25.248071 83 61152 0 627.40799 -352742.16 0 -352742.16 919051.38 1107.7825 544.36413 230.07738 405.39362 8.320746 25.191181 84 61152 0 627.52395 -352742.16 0 -352742.16 919051.38 1107.2066 544.73326 230.63197 405.33345 8.2216963 25.190091 85 61152 0 627.5622 -352742.17 0 -352742.17 919051.38 1107.0935 545.00041 230.59271 405.54299 8.2528362 25.282226 86 61152 0 627.24974 -352742.17 0 -352742.17 919051.38 1107.2239 544.55427 229.97102 405.54577 8.2628365 25.164944 87 61152 0 626.83382 -352742.18 0 -352742.18 919051.38 1106.865 543.92286 229.71362 405.39681 8.0944619 24.973797 88 61152 0 626.55478 -352742.18 0 -352742.18 919051.38 1106.2733 543.58088 229.81017 405.3805 8.1055123 25.130799 89 61152 0 626.39937 -352742.19 0 -352742.19 919051.38 1106.1836 543.34678 229.66769 405.35355 8.1585233 25.21807 90 61152 0 626.35984 -352742.19 0 -352742.19 919051.38 1106.5771 543.22137 229.281 405.42673 8.0071138 25.015652 91 61152 0 626.45958 -352742.2 0 -352742.2 919051.38 1106.6196 543.38777 229.37137 405.48765 7.9395001 24.989626 92 61152 0 626.39758 -352742.21 0 -352742.21 919051.38 1105.8958 543.36321 229.9337 405.23274 8.0609788 25.159862 93 61152 0 626.005 -352742.22 0 -352742.22 919051.38 1106.3575 542.46702 229.19049 405.34836 7.8330419 24.995328 94 61152 0 625.36289 -352742.23 0 -352742.23 919051.38 1106.6569 541.19084 228.2409 405.4131 7.8201985 24.999304 95 61152 0 624.88668 -352742.24 0 -352742.24 919051.38 1104.9866 541.09821 228.57519 405.21144 8.1540413 25.222822 96 61152 0 624.2281 -352742.26 0 -352742.26 919051.38 1103.1054 541.01887 228.56003 405.17712 8.0469372 25.067037 97 61152 0 623.91618 -352742.27 0 -352742.27 919051.38 1103.4738 540.48492 227.78979 405.23999 7.8026353 24.911522 98 61152 0 624.10506 -352742.28 0 -352742.28 919051.38 1104.4535 540.24454 227.61719 405.29432 8.0460317 25.161752 99 61152 0 624.05213 -352742.29 0 -352742.29 919051.38 1104.1809 540.21783 227.75768 405.53348 8.1320639 25.256055 100 61152 0 623.15498 -352742.3 0 -352742.3 919051.38 1102.5511 539.74599 227.16782 405.4853 7.8264065 24.955566 101 61152 0 622.75634 -352742.31 0 -352742.31 919051.38 1101.9727 539.42877 226.86753 405.38446 7.9177653 24.964296 102 61152 0 622.97243 -352742.31 0 -352742.31 919051.38 1102.5093 539.40663 227.00132 405.39009 8.0698818 25.091931 103 61152 0 623.11672 -352742.31 0 -352742.31 919051.38 1102.9187 539.36444 227.06703 405.39819 7.9763281 25.061448 104 61152 0 623.22229 -352742.32 0 -352742.32 919051.38 1103.212 539.33004 227.12487 405.40375 8.0585808 25.131782 105 61152 0 623.06189 -352742.32 0 -352742.32 919051.38 1102.8017 539.27459 227.10936 405.40767 8.1005363 25.110102 106 61152 0 623.14456 -352742.32 0 -352742.32 919051.38 1103.191 539.06065 227.18203 405.40907 7.9845362 25.025614 107 61152 0 623.36255 -352742.33 0 -352742.33 919051.38 1104.3125 538.67251 227.10267 405.53943 8.2806051 25.227409 108 61152 0 623.55262 -352742.35 0 -352742.35 919051.38 1106.0856 537.72741 226.84483 405.86643 8.5610034 25.482122 109 61152 0 623.03198 -352742.38 0 -352742.38 919051.38 1105.5246 536.81155 226.75975 405.97542 8.1642446 25.216002 110 61152 0 622.17775 -352742.4 0 -352742.4 919051.38 1104.0773 535.90812 226.5478 405.9685 8.6259489 25.376212 111 61152 0 621.09951 -352742.42 0 -352742.42 919051.38 1103.9952 534.06717 225.2361 405.83395 9.0247187 25.637144 112 61152 0 619.02951 -352742.45 0 -352742.45 919051.38 1102.4721 531.45756 223.15891 405.80838 8.7121282 25.600642 113 61152 0 616.39607 -352742.5 0 -352742.5 919051.38 1097.5835 529.95449 221.65022 406.03518 8.3835093 25.466082 114 61152 0 615.87888 -352742.52 0 -352742.52 919051.38 1096.5582 529.7419 221.33651 406.00673 8.7113188 25.543105 115 61152 0 616.18367 -352742.53 0 -352742.53 919051.38 1097.3917 529.75411 221.4052 405.99679 8.6258898 25.383901 116 61152 0 616.81888 -352742.54 0 -352742.54 919051.38 1097.7542 530.40914 222.2933 406.01759 8.5900422 25.371528 117 61152 0 616.93292 -352742.55 0 -352742.55 919051.38 1098.0577 530.57259 222.16847 406.15226 8.4905648 25.259815 118 61152 0 616.5471 -352742.55 0 -352742.55 919051.38 1097.6314 529.94582 222.06411 405.81275 8.405328 25.193033 119 61152 0 615.93266 -352742.56 0 -352742.56 919051.38 1096.9617 529.36673 221.46952 405.86716 8.3045064 25.164686 120 61152 0 615.41699 -352742.56 0 -352742.56 919051.38 1095.8881 529.23064 221.13223 405.78231 8.2284528 25.170671 121 61152 0 615.27338 -352742.56 0 -352742.56 919051.38 1095.5634 529.18224 221.07449 405.67231 8.1806948 25.124269 122 61152 0 615.48344 -352742.57 0 -352742.57 919051.38 1095.6175 529.69629 221.13658 405.78639 8.1367227 25.090105 123 61152 0 615.46742 -352742.57 0 -352742.57 919051.38 1095.1863 529.90437 221.31158 405.68631 8.078219 25.093536 124 61152 0 615.20028 -352742.57 0 -352742.57 919051.38 1094.8471 529.642 221.11173 405.65175 8.0155461 25.082524 125 61152 0 615.18526 -352742.57 0 -352742.57 919051.38 1095.2378 529.42364 220.89431 405.67121 8.0169465 25.063466 126 61152 0 615.03813 -352742.57 0 -352742.57 919051.38 1095.2377 529.03426 220.84239 405.58185 8.0119966 25.075759 127 61152 0 614.90494 -352742.58 0 -352742.58 919051.38 1095.08 528.85313 220.78164 405.60187 8.0211801 25.101658 128 61152 0 615.08744 -352742.58 0 -352742.58 919051.38 1095.3595 528.97578 220.92702 405.60385 8.044483 25.126073 129 61152 0 615.74185 -352742.58 0 -352742.58 919051.38 1096.8864 529.0473 221.29191 405.83036 8.0843321 25.11002 130 61152 0 616.34609 -352742.58 0 -352742.58 919051.38 1098.116 529.15522 221.76702 405.84528 8.1494615 25.130012 131 61152 0 615.98361 -352742.59 0 -352742.59 919051.38 1097.351 529.11459 221.48527 405.80937 8.1969589 25.200568 132 61152 0 615.47204 -352742.59 0 -352742.59 919051.38 1096.7428 528.6377 221.03562 405.88927 8.1989398 25.19204 133 61152 0 614.98497 -352742.59 0 -352742.59 919051.38 1096.1464 528.10576 220.70269 405.71802 8.1930059 25.178763 134 61152 0 615.03791 -352742.6 0 -352742.6 919051.38 1096.1369 528.36082 220.61598 405.74001 8.2099574 25.215015 135 61152 0 614.98264 -352742.6 0 -352742.6 919051.38 1095.9772 528.42421 220.54655 405.83663 8.1935889 25.203085 136 61152 0 614.78145 -352742.6 0 -352742.6 919051.38 1095.5589 528.19087 220.59457 405.72091 8.1541553 25.162153 137 61152 0 614.51434 -352742.6 0 -352742.6 919051.38 1095.0172 528.1714 220.35441 405.67375 8.1423604 25.164282 138 61152 0 614.36543 -352742.6 0 -352742.6 919051.38 1094.8562 528.06617 220.17391 405.74727 8.1256036 25.137652 139 61152 0 614.28488 -352742.61 0 -352742.61 919051.38 1094.7957 527.83148 220.22743 405.66806 8.0785048 25.104626 140 61152 0 614.27674 -352742.61 0 -352742.61 919051.38 1094.8542 527.89253 220.08351 405.76432 8.092226 25.130864 141 61152 0 614.11968 -352742.61 0 -352742.61 919051.38 1094.5844 527.59691 220.17768 405.63442 8.0818475 25.112759 142 61152 0 613.69136 -352742.61 0 -352742.61 919051.38 1094.3798 526.6272 220.06712 405.46702 8.0289391 25.072609 143 61152 0 613.2748 -352742.62 0 -352742.62 919051.38 1094.9462 525.81498 219.06327 405.74231 8.0523405 25.130796 144 61152 0 612.64134 -352742.63 0 -352742.63 919051.38 1094.461 524.69242 218.77059 405.62581 8.016753 25.088906 145 61152 0 612.04838 -352742.65 0 -352742.65 919051.38 1093.7144 523.72312 218.70761 405.51931 7.9727828 25.065365 146 61152 0 612.18046 -352742.66 0 -352742.66 919051.38 1093.9005 524.05013 218.59077 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204.17909 407.69173 8.1357666 25.202432 381 61152 0 596.16717 -352742.94 0 -352742.94 919051.38 1082.762 501.56738 204.17209 407.69257 8.1343341 25.198873 382 61152 0 596.16566 -352742.94 0 -352742.94 919051.38 1082.7615 501.56995 204.1655 407.69883 8.1347038 25.198738 383 61152 0 596.16857 -352742.94 0 -352742.94 919051.38 1082.7554 501.57891 204.17144 407.69658 8.1342607 25.199658 384 61152 0 596.17367 -352742.94 0 -352742.94 919051.38 1082.7605 501.58841 204.17209 407.70202 8.1344725 25.199757 385 61152 0 596.17434 -352742.94 0 -352742.94 919051.38 1082.7597 501.58966 204.17361 407.70042 8.1342397 25.199087 386 61152 0 596.15663 -352742.94 0 -352742.94 919051.38 1082.736 501.57838 204.15553 407.70367 8.133004 25.198146 387 61152 0 596.13898 -352742.94 0 -352742.94 919051.38 1082.7013 501.56771 204.14794 407.69702 8.1322229 25.19674 388 61152 0 596.12525 -352742.94 0 -352742.94 919051.38 1082.6795 501.56052 204.1357 407.69924 8.130308 25.195047 389 61152 0 596.11694 -352742.94 0 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398 61152 0 596.13063 -352742.94 0 -352742.94 919051.38 1082.7292 501.52967 204.13303 407.71037 8.1345198 25.198164 399 61152 0 596.12426 -352742.94 0 -352742.94 919051.38 1082.7221 501.52493 204.12578 407.71273 8.133861 25.198672 400 61152 0 596.114 -352742.94 0 -352742.94 919051.38 1082.7048 501.51763 204.11955 407.70978 8.1336801 25.199204 401 61152 0 596.1057 -352742.94 0 -352742.94 919051.38 1082.6917 501.51388 204.11151 407.71228 8.1345826 25.198912 402 61152 0 596.09834 -352742.94 0 -352742.94 919051.38 1082.6756 501.51307 204.10631 407.70863 8.1288345 25.196737 403 61152 0 596.08989 -352742.94 0 -352742.94 919051.38 1082.661 501.51481 204.09391 407.71369 8.1264973 25.193162 404 61152 0 596.0897 -352742.94 0 -352742.94 919051.38 1082.6622 501.5148 204.09215 407.71878 8.1299134 25.193449 405 61152 0 596.08917 -352742.94 0 -352742.94 919051.38 1082.6612 501.51087 204.09546 407.71566 8.1288765 25.194251 406 61152 0 596.08813 -352742.94 0 -352742.94 919051.38 1082.6665 501.50669 204.09125 407.71916 8.1311334 25.194355 407 61152 0 596.08875 -352742.94 0 -352742.94 919051.38 1082.6725 501.49602 204.09779 407.71348 8.1319988 25.196562 408 61152 0 596.09382 -352742.94 0 -352742.94 919051.38 1082.6903 501.4915 204.09968 407.71618 8.1329682 25.19762 409 61152 0 596.104 -352742.94 0 -352742.94 919051.38 1082.7096 501.49459 204.10784 407.71376 8.1350167 25.198696 410 61152 0 596.11049 -352742.94 0 -352742.94 919051.38 1082.7231 501.49772 204.11059 407.71628 8.1344018 25.199333 411 61152 0 596.10903 -352742.94 0 -352742.94 919051.38 1082.7196 501.49837 204.10914 407.71925 8.1332077 25.198983 412 61152 0 596.10502 -352742.94 0 -352742.94 919051.38 1082.7089 501.49716 204.10899 407.71743 8.1343565 25.198759 413 61152 0 596.10195 -352742.94 0 -352742.94 919051.38 1082.7066 501.49455 204.1047 407.71739 8.1348107 25.19903 414 61152 0 596.10117 -352742.94 0 -352742.94 919051.38 1082.7055 501.49452 204.10353 407.71808 8.1332635 25.198715 415 61152 0 596.09981 -352742.94 0 -352742.94 919051.38 1082.7017 501.49432 204.10344 407.71691 8.1341223 25.198522 416 61152 0 596.09755 -352742.94 0 -352742.94 919051.38 1082.7007 501.49407 204.09784 407.7199 8.1327604 25.197909 417 61152 0 596.09202 -352742.94 0 -352742.94 919051.38 1082.6839 501.49679 204.09537 407.71841 8.1303438 25.194954 418 61152 0 596.06551 -352742.94 0 -352742.94 919051.38 1082.6446 501.48878 204.06318 407.73523 8.1302115 25.193967 419 61152 0 596.04292 -352742.94 0 -352742.94 919051.38 1082.6094 501.47684 204.04249 407.73846 8.1273202 25.191533 420 61152 0 596.03238 -352742.94 0 -352742.94 919051.38 1082.5925 501.46231 204.04233 407.72654 8.1245973 25.188324 421 61152 0 596.02027 -352742.94 0 -352742.94 919051.38 1082.5927 501.43844 204.0297 407.73167 8.1287537 25.191538 422 61152 0 596.02131 -352742.94 0 -352742.94 919051.38 1082.6009 501.42703 204.03601 407.72624 8.1308095 25.194763 423 61152 0 596.04031 -352742.94 0 -352742.94 919051.38 1082.64 501.43857 204.04234 407.73037 8.1266041 25.191522 424 61152 0 596.05132 -352742.94 0 -352742.94 919051.38 1082.6581 501.44325 204.05266 407.73102 8.1295698 25.194233 425 61152 0 596.05073 -352742.94 0 -352742.94 919051.38 1082.6551 501.44159 204.0555 407.73004 8.1317483 25.196208 426 61152 0 596.05061 -352742.94 0 -352742.94 919051.38 1082.6561 501.44111 204.05458 407.73025 8.1309503 25.19553 427 61152 0 596.05041 -352742.94 0 -352742.94 919051.38 1082.6555 501.43911 204.05659 407.72922 8.1327502 25.197066 428 61152 0 596.05212 -352742.94 0 -352742.94 919051.38 1082.6683 501.43387 204.05415 407.73147 8.1311482 25.196459 429 61152 0 596.05414 -352742.94 0 -352742.94 919051.38 1082.6761 501.42932 204.05699 407.7304 8.1327917 25.198156 430 61152 0 596.05509 -352742.94 0 -352742.94 919051.38 1082.6748 501.42986 204.06066 407.7289 8.1351831 25.199943 431 61152 0 596.0596 -352742.94 0 -352742.94 919051.38 1082.6827 501.43594 204.06017 407.73222 8.1332303 25.198334 432 61152 0 596.06082 -352742.94 0 -352742.94 919051.38 1082.6828 501.43779 204.06189 407.73135 8.1333416 25.19832 433 61152 0 596.05742 -352742.94 0 -352742.94 919051.38 1082.676 501.43443 204.06183 407.72987 8.1350894 25.199703 434 61152 0 596.05395 -352742.94 0 -352742.94 919051.38 1082.6732 501.43189 204.05676 407.73166 8.1331046 25.198107 435 61152 0 596.04442 -352742.94 0 -352742.94 919051.38 1082.659 501.42452 204.04969 407.73098 8.1318699 25.196508 436 61152 0 596.04176 -352742.94 0 -352742.94 919051.38 1082.6536 501.42122 204.05041 407.73025 8.1358886 25.199786 437 61152 0 596.04123 -352742.94 0 -352742.94 919051.38 1082.6578 501.42124 204.04464 407.73399 8.1339454 25.199219 438 61152 0 596.04168 -352742.94 0 -352742.94 919051.38 1082.6585 501.42359 204.04293 407.73394 8.1306064 25.196194 439 61152 0 596.04108 -352742.94 0 -352742.94 919051.38 1082.6545 501.42376 204.04495 407.73341 8.1324475 25.196714 440 61152 0 596.04034 -352742.94 0 -352742.94 919051.38 1082.6562 501.42162 204.0432 407.73486 8.1317095 25.196736 441 61152 0 596.03956 -352742.94 0 -352742.94 919051.38 1082.6546 501.41941 204.04467 407.73306 8.1329765 25.197734 442 61152 0 596.03912 -352742.94 0 -352742.94 919051.38 1082.6567 501.41704 204.04361 407.73473 8.1339355 25.198061 443 61152 0 596.04009 -352742.94 0 -352742.94 919051.38 1082.6603 501.41387 204.04611 407.73167 8.1319825 25.197111 444 61152 0 596.04619 -352742.94 0 -352742.94 919051.38 1082.6838 501.40999 204.04481 407.73736 8.1357198 25.201317 445 61152 0 596.05505 -352742.94 0 -352742.94 919051.38 1082.7082 501.40594 204.05098 407.7382 8.1375853 25.204061 446 61152 0 596.05598 -352742.94 0 -352742.94 919051.38 1082.7084 501.40319 204.05635 407.73381 8.1337104 25.20039 447 61152 0 596.05327 -352742.94 0 -352742.94 919051.38 1082.7097 501.39866 204.05141 407.73997 8.136854 25.20139 448 61152 0 596.04828 -352742.94 0 -352742.94 919051.38 1082.7034 501.39348 204.04791 407.741 8.140794 25.205549 449 61152 0 596.04164 -352742.94 0 -352742.94 919051.38 1082.693 501.38823 204.04364 407.73789 8.1351232 25.201946 450 61152 0 596.02514 -352742.94 0 -352742.94 919051.38 1082.6712 501.38006 204.02417 407.74274 8.1346126 25.199585 451 61152 0 596.01698 -352742.94 0 -352742.94 919051.38 1082.6495 501.37826 204.02316 407.73808 8.1343225 25.198879 452 61152 0 596.00932 -352742.94 0 -352742.94 919051.38 1082.6334 501.37922 204.01538 407.74069 8.1317297 25.196719 453 61152 0 596.00989 -352742.94 0 -352742.94 919051.38 1082.6367 501.37931 204.01362 407.74271 8.1325499 25.197203 454 61152 0 596.01199 -352742.94 0 -352742.94 919051.38 1082.6393 501.37895 204.01775 407.74074 8.1329028 25.197603 455 61152 0 596.01402 -352742.94 0 -352742.94 919051.38 1082.6447 501.3791 204.01823 407.74309 8.1338776 25.198229 456 61152 0 596.01091 -352742.94 0 -352742.94 919051.38 1082.6399 501.37835 204.01452 407.74463 8.1342513 25.198601 457 61152 0 596.00946 -352742.94 0 -352742.94 919051.38 1082.6377 501.37485 204.01577 407.74147 8.1331192 25.198677 458 61152 0 596.01302 -352742.94 0 -352742.94 919051.38 1082.6516 501.37171 204.01578 407.74227 8.133152 25.198834 459 61152 0 596.01509 -352742.94 0 -352742.94 919051.38 1082.6583 501.37229 204.01464 407.74502 8.1354522 25.199212 460 61152 0 596.01545 -352742.94 0 -352742.94 919051.38 1082.655 501.37265 204.01871 407.74505 8.1350302 25.1995 461 61152 0 596.01214 -352742.94 0 -352742.94 919051.38 1082.6461 501.37168 204.01861 407.74632 8.1344352 25.2004 462 61152 0 596.00485 -352742.94 0 -352742.94 919051.38 1082.6406 501.36311 204.01089 407.74571 8.134738 25.199481 463 61152 0 595.99884 -352742.94 0 -352742.94 919051.38 1082.6419 501.35185 204.00276 407.74485 8.1327611 25.197282 464 61152 0 595.99641 -352742.94 0 -352742.94 919051.38 1082.6408 501.35022 203.9982 407.74729 8.1331776 25.198173 465 61152 0 595.99817 -352742.94 0 -352742.94 919051.38 1082.6371 501.35492 204.00251 407.74683 8.1338375 25.199006 466 61152 0 595.99945 -352742.94 0 -352742.94 919051.38 1082.6371 501.35711 204.00415 407.74777 8.1335127 25.19842 467 61152 0 595.99791 -352742.94 0 -352742.94 919051.38 1082.6372 501.35516 204.00133 407.748 8.133788 25.198088 468 61152 0 595.9958 -352742.94 0 -352742.94 919051.38 1082.6351 501.35289 203.99946 407.7477 8.1337323 25.198494 469 61152 0 595.99442 -352742.94 0 -352742.94 919051.38 1082.6324 501.35172 203.99914 407.74807 8.1333978 25.198689 470 61152 0 595.99051 -352742.94 0 -352742.94 919051.38 1082.6287 501.34764 203.99515 407.74766 8.1333888 25.198085 471 61152 0 595.97455 -352742.94 0 -352742.94 919051.38 1082.6211 501.32805 203.9745 407.7535 8.1314017 25.196233 472 61152 0 595.92282 -352742.94 0 -352742.94 919051.38 1082.5699 501.26328 203.9353 407.75827 8.1363844 25.203072 473 61152 0 595.8224 -352742.94 0 -352742.94 919051.38 1082.4968 501.1356 203.83476 407.79117 8.1383853 25.207757 474 61152 0 595.71232 -352742.94 0 -352742.94 919051.38 1082.4396 500.99329 203.70405 407.84171 8.1286433 25.197226 475 61152 0 595.67884 -352742.94 0 -352742.94 919051.38 1082.3993 500.95001 203.68724 407.83781 8.1327561 25.199315 476 61152 0 595.66507 -352742.94 0 -352742.94 919051.38 1082.3859 500.92854 203.68075 407.83935 8.1371501 25.203337 477 61152 0 595.6522 -352742.94 0 -352742.94 919051.38 1082.3984 500.89948 203.65868 407.84824 8.1322315 25.199534 478 61152 0 595.64902 -352742.94 0 -352742.94 919051.38 1082.408 500.8807 203.65838 407.84291 8.1326874 25.198796 479 61152 0 595.6539 -352742.94 0 -352742.94 919051.38 1082.4195 500.87929 203.6629 407.84786 8.134786 25.199628 480 61152 0 595.65417 -352742.94 0 -352742.94 919051.38 1082.4198 500.87923 203.66344 407.84803 8.1333651 25.198732 481 61152 0 595.65369 -352742.94 0 -352742.94 919051.38 1082.4202 500.87845 203.66246 407.84745 8.1340914 25.199298 482 61152 0 595.65471 -352742.94 0 -352742.94 919051.38 1082.4226 500.8799 203.66165 407.84891 8.1338613 25.199051 483 61152 0 595.65577 -352742.94 0 -352742.94 919051.38 1082.4221 500.88177 203.6634 407.84818 8.1342027 25.199425 484 61152 0 595.65492 -352742.94 0 -352742.94 919051.38 1082.4216 500.88112 203.66202 407.84871 8.1344326 25.199613 485 61152 0 595.65462 -352742.94 0 -352742.94 919051.38 1082.4209 500.88095 203.66206 407.8483 8.1342428 25.199427 486 61152 0 595.65441 -352742.94 0 -352742.94 919051.38 1082.422 500.88061 203.66064 407.8496 8.1347021 25.199841 487 61152 0 595.65421 -352742.94 0 -352742.94 919051.38 1082.4221 500.88044 203.66004 407.8499 8.1349388 25.200093 488 61152 0 595.65424 -352742.94 0 -352742.94 919051.38 1082.4216 500.88061 203.66052 407.84935 8.1347762 25.199954 489 61152 0 595.65436 -352742.94 0 -352742.94 919051.38 1082.4213 500.8809 203.66087 407.84906 8.1346603 25.199829 490 61152 0 595.65488 -352742.94 0 -352742.94 919051.38 1082.422 500.88161 203.66097 407.84951 8.1348075 25.199839 491 61152 0 595.65488 -352742.94 0 -352742.94 919051.38 1082.422 500.88161 203.66097 407.84951 8.1348075 25.199839 Loop time of 1087.92 on 2 procs for 491 steps with 61152 atoms 99.4% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -352731.379207335 -352742.941131986 -352742.941131986 Force two-norm initial, final = 13.222273 0.00083402366 Force max component initial, final = 0.89207302 7.041035e-05 Final line search alpha, max atom move = 0.03125 2.2003234e-06 Iterations, force evaluations = 491 2340 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1059.2 | 1072.1 | 1085 | 39.4 | 98.55 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.7132 | 14.634 | 27.554 | 337.8 | 1.35 Output | 0.14792 | 0.15492 | 0.16193 | 1.8 | 0.01 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.027 | | | 0.09 Nlocal: 30576 ave 30576 max 30576 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 16209.5 ave 16212 max 16207 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: 1.28407e+06 ave 1.28408e+06 max 1.28405e+06 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 2568132 Ave neighs/atom = 41.995879 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 = 5.3 ghost atom cutoff = 5.3 binsize = 2.65, bins = 48 72 15 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 491 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) = 20.15 | 20.15 | 20.15 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 491 61152 0 595.65488 -352742.94 0 -352742.94 919051.38 1082.422 500.88161 203.66097 407.84951 8.1348075 25.199839 492 61152 0 127.40138 -352743 0 -352743 919203.12 545.48399 48.885339 -212.16519 411.49776 -7.6164023 2.4574165 493 61152 0 -71.550743 -352743.03 0 -352743.03 919267.51 231.05416 -123.67627 -322.03012 415.25447 13.849046 4.2366503 494 61152 0 116.73232 -352743.07 0 -352743.07 919206.2 282.17419 94.019825 -25.997071 410.6691 -54.48897 -25.270793 495 61152 0 -55.38878 -352743.08 0 -352743.08 919261.91 -2.3285361 -56.36819 -107.46962 393.56962 140.3889 71.62451 496 61152 0 -166.8997 -352743.1 0 -352743.1 919297.97 -208.99229 -149.90898 -141.79785 373.70289 148.75787 73.631917 497 61152 0 -86.361135 -352743.11 0 -352743.11 919271.76 -134.96097 -68.850726 -55.271708 363.01457 -18.976128 -11.219361 498 61152 0 212.50666 -352743.12 0 -352743.12 919174.7 198.00689 218.72242 220.79067 317.08431 17.783433 12.679994 499 61152 0 214.41071 -352743.13 0 -352743.13 919174.02 231.43724 210.81994 200.97497 271.2989 8.4591503 8.52347 500 61152 0 17.461527 -352743.14 0 -352743.14 919237.9 33.889211 14.570686 3.9246846 263.52326 -7.477195 -2.9618274 501 61152 0 -68.478792 -352743.15 0 -352743.15 919265.72 -55.827484 -68.504833 -81.10406 224.05328 62.765496 29.717382 502 61152 0 -69.411401 -352743.16 0 -352743.16 919265.93 -59.001193 -67.133756 -82.099254 184.89612 -2.9116973 -4.5445627 503 61152 0 35.200716 -352743.16 0 -352743.16 919231.96 45.253933 36.77695 23.571265 175.21842 4.3921422 3.1460951 504 61152 0 -10.03078 -352743.16 0 -352743.16 919246.56 -1.2255316 -11.101677 -17.765131 136.19042 -30.239584 -13.34628 505 61152 0 -14.203829 -352743.17 0 -352743.17 919247.88 -6.9658315 -15.984737 -19.660918 116.55739 29.488245 15.599466 506 61152 0 -0.025143253 -352743.17 0 -352743.17 919243.2 4.8311408 -2.472741 -2.4338295 77.457018 46.504147 20.836904 507 61152 0 3.0710477 -352743.17 0 -352743.17 919242.18 7.7115794 0.738083 0.76348067 67.726797 3.3544959 -0.76766316 508 61152 0 -11.642395 -352743.17 0 -352743.17 919246.93 -8.001259 -11.635051 -15.290874 57.781236 -25.012593 -5.445467 509 61152 0 -38.224724 -352743.17 0 -352743.17 919255.49 -39.426277 -29.824807 -45.423089 18.003264 -21.185002 18.298997 510 61152 0 -9.9097541 -352743.17 0 -352743.17 919246.29 -11.525009 -2.0232157 -16.181037 13.237827 7.5872756 15.796175 511 61152 0 5.0621277 -352743.17 0 -352743.17 919241.43 3.9360081 11.368224 -0.11784907 11.987432 -1.1018939 -1.1189086 512 61152 0 -0.32613631 -352743.17 0 -352743.17 919243.18 -0.49680472 2.7079114 -3.1895156 10.910575 0.62535421 -3.4429054 513 61152 0 -1.7684021 -352743.17 0 -352743.17 919243.64 -1.1409852 -1.4797592 -2.6844618 9.753114 0.47954427 2.10838 514 61152 0 0.93188598 -352743.17 0 -352743.17 919242.77 1.9559611 -0.35007544 1.1897722 8.612504 -2.2152496 0.67967077 515 61152 0 2.9873863 -352743.17 0 -352743.17 919242.09 4.2494671 -0.090770467 4.8034624 6.2894765 2.2848972 -0.40883208 516 61152 0 1.3172732 -352743.17 0 -352743.17 919242.63 2.5802654 -2.6180279 3.9895821 3.9162622 1.5516858 -2.3264883 517 61152 0 0.082716521 -352743.17 0 -352743.17 919243.03 1.1485894 -3.1751549 2.274715 3.633486 -0.49530794 -1.2232969 518 61152 0 -0.028568092 -352743.17 0 -352743.17 919243.07 0.85877705 -2.7181097 1.7736283 3.5044088 0.34747344 -0.08012177 519 61152 0 0.0082640048 -352743.17 0 -352743.17 919243.06 0.48971551 -1.2800353 0.8151118 3.1762936 -0.83224343 -0.046714599 520 61152 0 0.020273503 -352743.17 0 -352743.17 919243.05 0.10382135 0.042380029 -0.085380869 2.8030065 0.54745519 0.6395245 521 61152 0 -0.0064927769 -352743.17 0 -352743.17 919243.06 -0.44377378 1.8584006 -1.4341051 2.0989099 0.095140359 -0.25032898 522 61152 0 -0.002990569 -352743.17 0 -352743.17 919243.06 -0.35483917 1.7509315 -1.405064 1.4705123 -0.59105076 -0.20816008 523 61152 0 0.0022200128 -352743.17 0 -352743.17 919243.05 -0.19502188 1.233916 -1.0322341 1.1789199 0.56724904 0.44726553 524 61152 0 0.0068958222 -352743.17 0 -352743.17 919243.05 0.22802849 -0.1937499 -0.013591125 0.62635591 0.43921244 0.23935356 525 61152 0 0.0041860435 -352743.17 0 -352743.17 919243.05 0.21365799 -0.18005871 -0.021041158 0.62107686 0.11062097 0.066028932 526 61152 0 0.0041860435 -352743.17 0 -352743.17 919243.05 0.21365799 -0.18005871 -0.021041158 0.62107686 0.11062097 0.066028932 Loop time of 72.1028 on 2 procs for 35 steps with 61152 atoms 99.3% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -352742.941131983 -352743.173599153 -352743.173599153 Force two-norm initial, final = 712.74847 0.4507298 Force max component initial, final = 620.9063 0.31103787 Final line search alpha, max atom move = 3.9246125e-08 1.2207031e-08 Iterations, force evaluations = 35 152 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 69.774 | 70.711 | 71.649 | 11.1 | 98.07 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.096817 | 1.0355 | 1.9742 | 92.2 | 1.44 Output | 0.0093379 | 0.0098839 | 0.01043 | 0.5 | 0.01 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.346 | | | 0.48 Nlocal: 30576 ave 30576 max 30576 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 16219 ave 16221 max 16217 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: 1.28414e+06 ave 1.28414e+06 max 1.28414e+06 min Histogram: 2 0 0 0 0 0 0 0 0 0 Total # of neighbors = 2568272 Ave neighs/atom = 41.998168 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:19:21