Concurrent Atomistic-Continuum (CAC) Simulator PI: Prof. David L. McDowell (Georgia Tech) Contact: david.mcdowell@me.gatech.edu Version: 1.0 There are 18 elements 144 nodes 97318 atoms, and 9856 cells The system contains 1 grains The lattice space of grain 1 is x 2.556191013989356 y 4.427452710080598 z 6.261363669361488 The unit length of grain 1 is x 5.112382027978740 y 2.951635140053730 z 2.087121223120497 The boundaries of grain 1 prior to modification are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -1.043560611560248 to 97.051130224507631 length is 98.094690836067883 The boundary conditions are p in the x direction p in the y direction s in the z direction The periodic bounary conditions are applied on direction 1 with periodic length 132.921932727447228 The periodic bounary conditions are applied on direction 2 with periodic length 123.968661201759488 The box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.007569732156682 length is 96.007569851365972 The lattice_space_max are x 2.556191013989356 y 4.427452710080598 z 6.261363669361488 The box contains number of lattice_space_max x 52.000000000000291 y 27.999996684211396 z 15.333332309247018 In coarse-grained domain, there are 18 elements with 144 and nodes There are 1 element types The 1 type contains 2197 atoms per element In atomistic domain, there are 97318 atoms There are 39546 atomaps in mapping configuration The unit cell volume is 11.810408343750002 Angstrom^3 The lattice name is Cu , the type is fcc , and the lattice parameter is 3.615000000000000 Angstrom The atomic mass is 63.545999999999999 g/mol The potential type is eam The cutoff radius are 5.606789999999999 and 6.606789999999999 Angstrom No modify The output is done every 200 step The reduce is done every 200 step The restart is done every 500 step No temperature control There are 4 groups: Group 1 has 0 elements 0 nodes and 728 atoms Group 1 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 1 is inside the bound Group/Modify 1 has boundary/length x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to -3.910916560571163 length is 31.877659512580305 z from 95.172727655085325 to 96.007569732156682 length is 0.834842077071357 Group 2 has 0 elements 0 nodes and 676 atoms Group 2 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 2 is inside the bound Group/Modify 2 has boundary/length x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -3.910916560571163 to 24.867526054952720 length is 28.778442615523883 z from 95.172727655085325 to 96.007569732156682 length is 0.834842077071357 Group 3 has 0 elements 0 nodes and 1508 atoms Group 3 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 3 is inside the bound Group/Modify 3 has boundary/length x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from 24.867526054952720 to 88.180085128608013 length is 63.312559073655294 z from 95.172727655085325 to 96.007569732156682 length is 0.834842077071357 Group 4 has 10 elements 40 nodes and 2444 atoms Group 4 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 4 is inside the bound Group/Modify 4 has boundary/length x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 3.130681715471449 length is 3.130681834680744 Group 1 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 2 is assigned displacement -0.001000000000000 0.000577350000000 -0.001633000000000 Angstrom Group 3 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 4 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom timestep and time 0 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556793281372004 0.000000000000000 and -3.540218341973961 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.000000001032239 0.000014826666246 -0.069206658511658 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.969311301980997 1.000061857949157 and 0.728904777663036 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.345117627984230 0.000000000000000 and -3.540219756259923 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.000000396849787 -0.005312425010447 411.474298136256891 average/maximum/minimum number of neighbor atoms per atom is 83.960993855196364 86 and 52 average/maximum/minimum host electron density per atom is 0.988302059885366 1.000064291644017 and 0.728904777663026 in total total force (eV/Angstrom) is -0.000000397882026 -0.005297598344201 411.405091477745259 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 7.315751366759961 maximum force (eV/Angstrom) is 0.134954572599558 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.824675324675326 60 and 22 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.007569732156682 length is 96.007569851365972 center of mass (Angstrom) is at 65.821918610228295 26.195761867977094 48.003785301730581 quasi-statics using cg at timestep 10 quasi-statics using cg at timestep 20 quasi-statics using cg at timestep 30 quasi-statics using cg at timestep 40 quasi-statics using cg at timestep 50 quasi-statics using cg at timestep 60 quasi-statics using cg at timestep 70 quasi-statics using cg at timestep 80 quasi-statics using cg at timestep 90 quasi-statics using cg at timestep 100 quasi-statics using cg at timestep 110 quasi-statics using cg at timestep 120 quasi-statics using cg at timestep 130 quasi-statics using cg at timestep 140 quasi-statics using cg at timestep 150 quasi-statics using cg at timestep 160 quasi-statics using cg at timestep 170 quasi-statics using cg at timestep 180 quasi-statics using cg at timestep 190 quasi-statics using cg at timestep 200 timestep and time 200 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556791534980076 0.000000000000000 and -3.540231402238733 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.000329708618520 0.000552255326923 -0.026014919952777 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.969370832647989 1.001086746734624 and 0.729017879166452 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.344884156932960 0.000000000000000 and -3.545889587150821 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -24.928960417333492 13.036671676329105 -75.818984855559577 average/maximum/minimum number of neighbor atoms per atom is 83.960993855196364 86 and 52 average/maximum/minimum host electron density per atom is 0.989970976763149 1.039004616102319 and 0.687650609633812 in total total force (eV/Angstrom) is -24.929290125952011 13.037223931656028 -75.844999775512349 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 1.272390625893756 maximum force (eV/Angstrom) is 0.024614524477675 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.824675324675326 60 and 22 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.007569732156682 length is 96.007569851365972 center of mass (Angstrom) is at 65.821900654121805 26.195771342116586 48.003724436469923 quasi-statics using cg at timestep 210 quasi-statics using cg at timestep 220 quasi-statics using cg at timestep 230 quasi-statics using cg at timestep 240 quasi-statics using cg at timestep 250 quasi-statics using cg at timestep 260 quasi-statics using cg at timestep 270 quasi-statics using cg at timestep 280 quasi-statics using cg at timestep 290 quasi-statics using cg at timestep 300 quasi-statics using cg at timestep 310 quasi-statics using cg at timestep 320 quasi-statics using cg at timestep 330 quasi-statics using cg at timestep 340 quasi-statics using cg at timestep 350 quasi-statics using cg at timestep 360 quasi-statics using cg at timestep 370 quasi-statics using cg at timestep 380 quasi-statics using cg at timestep 390 quasi-statics using cg at timestep 400 Update neighbor list at 400 timestep and time 400 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556790980572548 0.000000000000000 and -3.540236544768327 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.001025493810836 0.003461893122493 -0.056535807255152 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.969842224791247 1.004103989897234 and 0.729025183959408 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.344463459397024 0.000000000000000 and -3.547331508552684 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -41.275009725325560 19.252511295898298 -127.289405581823601 average/maximum/minimum number of neighbor atoms per atom is 84.213280174274033 95 and 52 average/maximum/minimum host electron density per atom is 0.991551986825586 1.058450279132595 and 0.636122351368716 in total total force (eV/Angstrom) is -41.276035219136396 19.255973189020793 -127.345941389078760 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 1.559373480818720 maximum force (eV/Angstrom) is 0.116457051722003 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.824675324675326 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.037475847783128 length is 96.007569851365972 center of mass (Angstrom) is at 65.821885425087430 26.195778147041054 48.003669540919290 quasi-statics using cg at timestep 410 quasi-statics using cg at timestep 420 quasi-statics using cg at timestep 430 quasi-statics using cg at timestep 440 quasi-statics using cg at timestep 450 quasi-statics using cg at timestep 460 quasi-statics using cg at timestep 470 quasi-statics using cg at timestep 480 quasi-statics using cg at timestep 490 quasi-statics using cg at timestep 500 quasi-statics using cg at timestep 510 quasi-statics using cg at timestep 520 quasi-statics using cg at timestep 530 quasi-statics using cg at timestep 540 quasi-statics using cg at timestep 550 quasi-statics using cg at timestep 560 quasi-statics using cg at timestep 570 quasi-statics using cg at timestep 580 quasi-statics using cg at timestep 590 quasi-statics using cg at timestep 600 timestep and time 600 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556781927726154 0.000000000000000 and -3.540241247195183 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.002842737930808 0.006407469667299 -0.091054885202064 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.970566622975937 1.007389845210289 and 0.729029497697825 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.343844323667507 0.000000000000000 and -3.545916866913881 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -53.719444490553549 26.765862619371148 -163.892512897831381 average/maximum/minimum number of neighbor atoms per atom is 84.213280174274033 95 and 52 average/maximum/minimum host electron density per atom is 0.993037111956960 1.069238796638078 and 0.602137818364251 in total total force (eV/Angstrom) is -53.722287228484355 26.772270089038447 -163.983567783033436 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.017769777558229 maximum force (eV/Angstrom) is 0.137118909071329 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.824675324675326 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.037475847783128 length is 96.007569851365972 center of mass (Angstrom) is at 65.821880232075785 26.195782050834644 48.003651026452133 quasi-statics using cg at timestep 610 quasi-statics using cg at timestep 620 quasi-statics using cg at timestep 630 quasi-statics using cg at timestep 640 quasi-statics using cg at timestep 650 quasi-statics using cg at timestep 660 quasi-statics using cg at timestep 670 quasi-statics using cg at timestep 680 quasi-statics using cg at timestep 690 quasi-statics using cg at timestep 700 quasi-statics using cg at timestep 710 quasi-statics using cg at timestep 720 quasi-statics using cg at timestep 730 quasi-statics using cg at timestep 740 quasi-statics using cg at timestep 750 quasi-statics using cg at timestep 760 quasi-statics using cg at timestep 770 quasi-statics using cg at timestep 780 quasi-statics using cg at timestep 790 quasi-statics using cg at timestep 800 Update neighbor list at 800 timestep and time 800 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556756622987141 0.000000000000000 and -3.540243529331216 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.005977129071938 0.009081960526077 -0.123804472177890 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.971505086001958 1.010902799982752 and 0.729042378217065 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.343198225999458 0.000000000000000 and -3.548401261648002 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -67.471860637632005 32.021658472483864 -186.604295010607927 average/maximum/minimum number of neighbor atoms per atom is 84.898025031340552 106 and 51 average/maximum/minimum host electron density per atom is 0.994425379461492 1.070014404568590 and 0.581291695047282 in total total force (eV/Angstrom) is -67.477837766703942 32.030740433009939 -186.728099482785808 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.340180347945740 maximum force (eV/Angstrom) is 0.119548514125071 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.845779220779221 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.094776593257393 length is 96.007569851365972 center of mass (Angstrom) is at 65.834495329270837 26.195786432493570 48.003627831412700 quasi-statics using cg at timestep 810 quasi-statics using cg at timestep 820 quasi-statics using cg at timestep 830 quasi-statics using cg at timestep 840 quasi-statics using cg at timestep 850 quasi-statics using cg at timestep 860 quasi-statics using cg at timestep 870 quasi-statics using cg at timestep 880 quasi-statics using cg at timestep 890 quasi-statics using cg at timestep 900 quasi-statics using cg at timestep 910 quasi-statics using cg at timestep 920 quasi-statics using cg at timestep 930 quasi-statics using cg at timestep 940 quasi-statics using cg at timestep 950 quasi-statics using cg at timestep 960 quasi-statics using cg at timestep 970 quasi-statics using cg at timestep 980 quasi-statics using cg at timestep 990 quasi-statics using cg at timestep 1000 Update neighbor list at 1000 timestep and time 1000 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556703017413602 0.000000000000000 and -3.540242826510914 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.011061140869490 0.011549197274386 -0.152485279847197 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.972672593209470 1.015335162883028 and 0.729063222246470 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.342533556119200 0.000000000000000 and -3.548961132046197 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -78.339976340996714 38.000614941025802 -192.699175424196909 average/maximum/minimum number of neighbor atoms per atom is 85.245011200394586 106 and 48 average/maximum/minimum host electron density per atom is 0.995703762388011 1.080498296491034 and 0.574063721822138 in total total force (eV/Angstrom) is -78.351037481866200 38.012164138300186 -192.851660704044093 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.200011360145140 maximum force (eV/Angstrom) is 0.208331481249138 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.855519480519479 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.129542590118433 length is 96.007569851365972 center of mass (Angstrom) is at 65.821842657567728 26.195800399456715 48.003562291520780 quasi-statics using cg at timestep 1010 quasi-statics using cg at timestep 1020 quasi-statics using cg at timestep 1030 quasi-statics using cg at timestep 1040 quasi-statics using cg at timestep 1050 quasi-statics using cg at timestep 1060 quasi-statics using cg at timestep 1070 quasi-statics using cg at timestep 1080 quasi-statics using cg at timestep 1090 quasi-statics using cg at timestep 1100 quasi-statics using cg at timestep 1110 quasi-statics using cg at timestep 1120 quasi-statics using cg at timestep 1130 quasi-statics using cg at timestep 1140 quasi-statics using cg at timestep 1150 quasi-statics using cg at timestep 1160 quasi-statics using cg at timestep 1170 quasi-statics using cg at timestep 1180 quasi-statics using cg at timestep 1190 quasi-statics using cg at timestep 1200 timestep and time 1200 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556615216118796 0.000000000000000 and -3.540234088807623 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.018463174732501 0.013894520155145 -0.170175317861513 average/maximum/minimum number of neighbor atoms per intpo is 80.777777777777771 86 and 52 average/maximum/minimum host electron density per intpo is 0.973939792574656 1.020572128561168 and 0.729087721580070 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.341852214355888 0.000000000000000 and -3.548747693977427 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -88.039589846872346 50.611452604722516 -200.512224800718769 average/maximum/minimum number of neighbor atoms per atom is 85.245011200394586 106 and 48 average/maximum/minimum host electron density per atom is 0.996931870524068 1.081131068475206 and 0.580333034005147 in total total force (eV/Angstrom) is -88.058053021604849 50.625347124877663 -200.682400118580290 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.606255364889227 maximum force (eV/Angstrom) is 0.318589458944189 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.855519480519479 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.129542590118433 length is 96.007569851365972 center of mass (Angstrom) is at 65.821847388993888 26.195803441232904 48.003593426600766 quasi-statics using cg at timestep 1210 quasi-statics using cg at timestep 1220 quasi-statics using cg at timestep 1230 quasi-statics using cg at timestep 1240 quasi-statics using cg at timestep 1250 quasi-statics using cg at timestep 1260 quasi-statics using cg at timestep 1270 quasi-statics using cg at timestep 1280 quasi-statics using cg at timestep 1290 quasi-statics using cg at timestep 1300 quasi-statics using cg at timestep 1310 quasi-statics using cg at timestep 1320 quasi-statics using cg at timestep 1330 quasi-statics using cg at timestep 1340 quasi-statics using cg at timestep 1350 quasi-statics using cg at timestep 1360 quasi-statics using cg at timestep 1370 quasi-statics using cg at timestep 1380 quasi-statics using cg at timestep 1390 quasi-statics using cg at timestep 1400 Update neighbor list at 1400 timestep and time 1400 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556496459467382 0.000000000000000 and -3.540224684304865 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.028049502548793 0.017266361402409 -0.180193828511615 average/maximum/minimum number of neighbor atoms per intpo is 80.886666666666670 90 and 52 average/maximum/minimum host electron density per intpo is 0.975160036673312 1.026338508723107 and 0.729110941061578 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.341235259411363 0.000000000000000 and -3.551433314550798 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -99.442318007455739 63.480826963486592 -214.950077462294161 average/maximum/minimum number of neighbor atoms per atom is 85.817536324215453 106 and 45 average/maximum/minimum host electron density per atom is 0.998180949283961 1.085662184640789 and 0.562990481569530 in total total force (eV/Angstrom) is -99.470367510004536 63.498093324888998 -215.130271290805780 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.911594145428997 maximum force (eV/Angstrom) is 0.325053875995993 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.865462662337663 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.199388881891934 length is 96.007569851365972 center of mass (Angstrom) is at 65.846121922162993 26.195810545935029 48.003593642677330 quasi-statics using cg at timestep 1410 quasi-statics using cg at timestep 1420 quasi-statics using cg at timestep 1430 quasi-statics using cg at timestep 1440 quasi-statics using cg at timestep 1450 quasi-statics using cg at timestep 1460 quasi-statics using cg at timestep 1470 quasi-statics using cg at timestep 1480 quasi-statics using cg at timestep 1490 quasi-statics using cg at timestep 1500 quasi-statics using cg at timestep 1510 quasi-statics using cg at timestep 1520 quasi-statics using cg at timestep 1530 quasi-statics using cg at timestep 1540 quasi-statics using cg at timestep 1550 quasi-statics using cg at timestep 1560 quasi-statics using cg at timestep 1570 quasi-statics using cg at timestep 1580 quasi-statics using cg at timestep 1590 quasi-statics using cg at timestep 1600 timestep and time 1600 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556327477826596 0.000000000000000 and -3.540207872722426 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.040538306493591 0.025243799691681 -0.190366920163624 average/maximum/minimum number of neighbor atoms per intpo is 80.886666666666670 90 and 52 average/maximum/minimum host electron density per intpo is 0.976425558926857 1.033202371190258 and 0.729133793046391 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.340546528678668 0.000000000000000 and -3.555374556803511 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -108.526490146343306 70.820851681014176 -225.874590046406553 average/maximum/minimum number of neighbor atoms per atom is 85.817536324215453 106 and 45 average/maximum/minimum host electron density per atom is 0.999421304064703 1.096677979884918 and 0.525729018662860 in total total force (eV/Angstrom) is -108.567028452836894 70.846095480705856 -226.064956966570179 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 2.921202893003373 maximum force (eV/Angstrom) is 0.288259131415438 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.865462662337663 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.199388881891934 length is 96.007569851365972 center of mass (Angstrom) is at 65.821827726044148 26.195820840557275 48.003571022113029 quasi-statics using cg at timestep 1610 quasi-statics using cg at timestep 1620 quasi-statics using cg at timestep 1630 quasi-statics using cg at timestep 1640 quasi-statics using cg at timestep 1650 quasi-statics using cg at timestep 1660 quasi-statics using cg at timestep 1670 quasi-statics using cg at timestep 1680 quasi-statics using cg at timestep 1690 quasi-statics using cg at timestep 1700 quasi-statics using cg at timestep 1710 quasi-statics using cg at timestep 1720 quasi-statics using cg at timestep 1730 quasi-statics using cg at timestep 1740 quasi-statics using cg at timestep 1750 quasi-statics using cg at timestep 1760 quasi-statics using cg at timestep 1770 quasi-statics using cg at timestep 1780 quasi-statics using cg at timestep 1790 quasi-statics using cg at timestep 1800 Update neighbor list at 1800 timestep and time 1800 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.556096284426516 0.000000000000000 and -3.540195340994010 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.051457565640182 0.033241222900504 -0.203224149765236 average/maximum/minimum number of neighbor atoms per intpo is 81.169333333333327 95 and 52 average/maximum/minimum host electron density per intpo is 0.977666808951617 1.040505062249480 and 0.729155979602482 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.339692231585788 0.000000000000000 and -3.557648237573075 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -115.072173897086572 72.677023246294866 -242.562154511254420 average/maximum/minimum number of neighbor atoms per atom is 86.286401282393797 107 and 44 average/maximum/minimum host electron density per atom is 1.000665190065117 1.109815684482059 and 0.502226643010894 in total total force (eV/Angstrom) is -115.123631462726749 72.710264469195366 -242.765378661019668 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 3.116994898864971 maximum force (eV/Angstrom) is 0.327951898189240 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.877840909090910 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.273272270690072 length is 96.007569851365972 center of mass (Angstrom) is at 65.846108037434149 26.195819121337365 48.003573566085535 quasi-statics using cg at timestep 1810 quasi-statics using cg at timestep 1820 quasi-statics using cg at timestep 1830 quasi-statics using cg at timestep 1840 quasi-statics using cg at timestep 1850 quasi-statics using cg at timestep 1860 quasi-statics using cg at timestep 1870 quasi-statics using cg at timestep 1880 quasi-statics using cg at timestep 1890 quasi-statics using cg at timestep 1900 quasi-statics using cg at timestep 1910 quasi-statics using cg at timestep 1920 quasi-statics using cg at timestep 1930 quasi-statics using cg at timestep 1940 quasi-statics using cg at timestep 1950 quasi-statics using cg at timestep 1960 quasi-statics using cg at timestep 1970 quasi-statics using cg at timestep 1980 quasi-statics using cg at timestep 1990 quasi-statics using cg at timestep 2000 timestep and time 2000 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.555780709037223 0.000000000000000 and -3.540203130087090 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.057426037311987 0.039322169374250 -0.216787269587343 average/maximum/minimum number of neighbor atoms per intpo is 81.169333333333327 95 and 52 average/maximum/minimum host electron density per intpo is 0.978706409682008 1.051392312308873 and 0.729175629507367 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.338711949787032 0.000000000000000 and -3.560202435461600 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -123.477935665061935 77.986703097662641 -259.338943086799588 average/maximum/minimum number of neighbor atoms per atom is 86.286401282393797 107 and 44 average/maximum/minimum host electron density per atom is 1.001943070799331 1.116122145968975 and 0.493841812275464 in total total force (eV/Angstrom) is -123.535361702373919 78.026025267036886 -259.555730356386960 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 3.486595490397116 maximum force (eV/Angstrom) is 0.463093188796102 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.877840909090910 60 and 20 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.273272270690072 length is 96.007569851365972 center of mass (Angstrom) is at 65.821835609874412 26.195814705305363 48.003593007164127 quasi-statics using cg at timestep 2010 quasi-statics using cg at timestep 2020 quasi-statics using cg at timestep 2030 quasi-statics using cg at timestep 2040 quasi-statics using cg at timestep 2050 quasi-statics using cg at timestep 2060 quasi-statics using cg at timestep 2070 quasi-statics using cg at timestep 2080 quasi-statics using cg at timestep 2090 quasi-statics using cg at timestep 2100 quasi-statics using cg at timestep 2110 quasi-statics using cg at timestep 2120 quasi-statics using cg at timestep 2130 quasi-statics using cg at timestep 2140 quasi-statics using cg at timestep 2150 quasi-statics using cg at timestep 2160 quasi-statics using cg at timestep 2170 quasi-statics using cg at timestep 2180 quasi-statics using cg at timestep 2190 quasi-statics using cg at timestep 2200 Update neighbor list at 2200 timestep and time 2200 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.555364093800283 0.000000000000000 and -3.540242980205077 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.061867522348671 0.043492731745839 -0.235186635764871 average/maximum/minimum number of neighbor atoms per intpo is 81.739999999999995 101 and 52 average/maximum/minimum host electron density per intpo is 0.979746036875666 1.061388307147059 and 0.729157727550326 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.337711552846645 0.000000000000000 and -3.562215839447735 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -138.458762260650616 85.298691385003849 -276.725583135885813 average/maximum/minimum number of neighbor atoms per atom is 86.690170369304752 109 and 40 average/maximum/minimum host electron density per atom is 1.003229688030231 1.115347555096494 and 0.491629293942074 in total total force (eV/Angstrom) is -138.520629782999293 85.342184116749692 -276.960769771650689 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 3.641576964726977 maximum force (eV/Angstrom) is 0.559439784026283 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.750000000000000 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.347551377733538 length is 96.007569851365972 center of mass (Angstrom) is at 65.854846691773474 26.195819716314350 48.003579370496062 quasi-statics using cg at timestep 2210 quasi-statics using cg at timestep 2220 quasi-statics using cg at timestep 2230 quasi-statics using cg at timestep 2240 quasi-statics using cg at timestep 2250 quasi-statics using cg at timestep 2260 quasi-statics using cg at timestep 2270 quasi-statics using cg at timestep 2280 quasi-statics using cg at timestep 2290 quasi-statics using cg at timestep 2300 quasi-statics using cg at timestep 2310 quasi-statics using cg at timestep 2320 quasi-statics using cg at timestep 2330 quasi-statics using cg at timestep 2340 quasi-statics using cg at timestep 2350 quasi-statics using cg at timestep 2360 quasi-statics using cg at timestep 2370 quasi-statics using cg at timestep 2380 quasi-statics using cg at timestep 2390 quasi-statics using cg at timestep 2400 timestep and time 2400 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.554852172220783 0.000000000000000 and -3.540290564271627 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.070115027580776 0.053319948117770 -0.256267278210947 average/maximum/minimum number of neighbor atoms per intpo is 81.739999999999995 101 and 52 average/maximum/minimum host electron density per intpo is 0.980920665286314 1.069108927258145 and 0.729090744380726 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.336680237344763 0.000000000000000 and -3.563965709103700 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -150.635238638377160 90.766781197648115 -290.175684758542786 average/maximum/minimum number of neighbor atoms per atom is 86.690170369304752 109 and 40 average/maximum/minimum host electron density per atom is 1.004484202534089 1.119457403702183 and 0.491192169756351 in total total force (eV/Angstrom) is -150.705353665957944 90.820101145765889 -290.431952036753728 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 3.751291488239240 maximum force (eV/Angstrom) is 0.626351582282920 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.750000000000000 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.347551377733538 length is 96.007569851365972 center of mass (Angstrom) is at 65.821812706494939 26.195827437945326 48.003557514657139 quasi-statics using cg at timestep 2410 quasi-statics using cg at timestep 2420 quasi-statics using cg at timestep 2430 quasi-statics using cg at timestep 2440 quasi-statics using cg at timestep 2450 quasi-statics using cg at timestep 2460 quasi-statics using cg at timestep 2470 quasi-statics using cg at timestep 2480 quasi-statics using cg at timestep 2490 quasi-statics using cg at timestep 2500 quasi-statics using cg at timestep 2510 quasi-statics using cg at timestep 2520 quasi-statics using cg at timestep 2530 quasi-statics using cg at timestep 2540 quasi-statics using cg at timestep 2550 quasi-statics using cg at timestep 2560 quasi-statics using cg at timestep 2570 quasi-statics using cg at timestep 2580 quasi-statics using cg at timestep 2590 quasi-statics using cg at timestep 2600 Update neighbor list at 2600 timestep and time 2600 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.554251309574644 0.000000000000000 and -3.540297095910517 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.076487375525542 0.067401355854314 -0.263054984210686 average/maximum/minimum number of neighbor atoms per intpo is 82.602222222222224 107 and 52 average/maximum/minimum host electron density per intpo is 0.982200077402906 1.073888613314601 and 0.729001003421807 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.335708913845362 0.000000000000000 and -3.563483935445380 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -162.021132327827559 102.309869334903894 -298.059296561711562 average/maximum/minimum number of neighbor atoms per atom is 87.004510984607165 110 and 36 average/maximum/minimum host electron density per atom is 1.005696475622953 1.122989810519343 and 0.486963810303926 in total total force (eV/Angstrom) is -162.097619703353104 102.377270690758209 -298.322351545922231 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 3.905806799373047 maximum force (eV/Angstrom) is 0.802728553782350 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.555194805194805 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.425350565493432 length is 96.007569851365972 center of mass (Angstrom) is at 65.860647829560349 26.195839895382612 48.003541749483887 quasi-statics using cg at timestep 2610 quasi-statics using cg at timestep 2620 quasi-statics using cg at timestep 2630 quasi-statics using cg at timestep 2640 quasi-statics using cg at timestep 2650 quasi-statics using cg at timestep 2660 quasi-statics using cg at timestep 2670 quasi-statics using cg at timestep 2680 quasi-statics using cg at timestep 2690 quasi-statics using cg at timestep 2700 quasi-statics using cg at timestep 2710 quasi-statics using cg at timestep 2720 quasi-statics using cg at timestep 2730 quasi-statics using cg at timestep 2740 quasi-statics using cg at timestep 2750 quasi-statics using cg at timestep 2760 quasi-statics using cg at timestep 2770 quasi-statics using cg at timestep 2780 quasi-statics using cg at timestep 2790 quasi-statics using cg at timestep 2800 timestep and time 2800 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.553660642227713 0.000000000000000 and -3.540310417832846 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.049591696511762 0.069754962090476 -0.230160044577144 average/maximum/minimum number of neighbor atoms per intpo is 82.602222222222224 107 and 52 average/maximum/minimum host electron density per intpo is 0.983487697916955 1.077714504590442 and 0.728891336984041 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.334832908236003 0.000000000000000 and -3.563678608808984 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -169.180301281831760 110.224118477817797 -307.513480790024914 average/maximum/minimum number of neighbor atoms per atom is 87.004510984607165 110 and 36 average/maximum/minimum host electron density per atom is 1.006919477874069 1.127858712077576 and 0.477036500322289 in total total force (eV/Angstrom) is -169.229892978343514 110.293873439908268 -307.743640834602047 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.156297869711095 maximum force (eV/Angstrom) is 0.778370440279185 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.555194805194805 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.425350565493432 length is 96.007569851365972 center of mass (Angstrom) is at 65.821804423675033 26.195842301662836 48.003550592906628 quasi-statics using cg at timestep 2810 quasi-statics using cg at timestep 2820 quasi-statics using cg at timestep 2830 quasi-statics using cg at timestep 2840 quasi-statics using cg at timestep 2850 quasi-statics using cg at timestep 2860 quasi-statics using cg at timestep 2870 quasi-statics using cg at timestep 2880 quasi-statics using cg at timestep 2890 quasi-statics using cg at timestep 2900 quasi-statics using cg at timestep 2910 quasi-statics using cg at timestep 2920 quasi-statics using cg at timestep 2930 quasi-statics using cg at timestep 2940 quasi-statics using cg at timestep 2950 quasi-statics using cg at timestep 2960 quasi-statics using cg at timestep 2970 quasi-statics using cg at timestep 2980 quasi-statics using cg at timestep 2990 quasi-statics using cg at timestep 3000 Update neighbor list at 3000 timestep and time 3000 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.553119808124281 0.000000000000000 and -3.540062999280116 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.093539653427771 0.093568729187148 -0.235054184352565 average/maximum/minimum number of neighbor atoms per intpo is 83.707999999999998 107 and 52 average/maximum/minimum host electron density per intpo is 0.984926057229159 1.093247354991409 and 0.728752464449085 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.333905842330554 0.000000000000000 and -3.562645952376751 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -174.176888979089256 110.100561868966068 -317.066952188829987 average/maximum/minimum number of neighbor atoms per atom is 87.266322776875811 110 and 35 average/maximum/minimum host electron density per atom is 1.008154356367509 1.137069564998377 and 0.471755064384242 in total total force (eV/Angstrom) is -174.270428632517024 110.194130598153222 -317.302006373182564 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.265806050373675 maximum force (eV/Angstrom) is 0.658649812862671 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.519480519480521 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.503684807059017 length is 96.007569851365972 center of mass (Angstrom) is at 65.861614592952577 26.195845193108905 48.003546910258201 quasi-statics using cg at timestep 3010 quasi-statics using cg at timestep 3020 quasi-statics using cg at timestep 3030 quasi-statics using cg at timestep 3040 quasi-statics using cg at timestep 3050 quasi-statics using cg at timestep 3060 quasi-statics using cg at timestep 3070 quasi-statics using cg at timestep 3080 quasi-statics using cg at timestep 3090 quasi-statics using cg at timestep 3100 quasi-statics using cg at timestep 3110 quasi-statics using cg at timestep 3120 quasi-statics using cg at timestep 3130 quasi-statics using cg at timestep 3140 quasi-statics using cg at timestep 3150 quasi-statics using cg at timestep 3160 quasi-statics using cg at timestep 3170 quasi-statics using cg at timestep 3180 quasi-statics using cg at timestep 3190 quasi-statics using cg at timestep 3200 timestep and time 3200 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.552463114520154 0.000000000000000 and -3.539910466014962 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.134879010485521 0.100524979248260 -0.238605077773893 average/maximum/minimum number of neighbor atoms per intpo is 83.707999999999998 107 and 52 average/maximum/minimum host electron density per intpo is 0.986355180587313 1.093933177658495 and 0.728595210017309 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.332837965622980 0.000000000000000 and -3.564934601361937 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -176.141972327004453 111.842360165702189 -321.568141057523917 average/maximum/minimum number of neighbor atoms per atom is 87.266322776875811 110 and 35 average/maximum/minimum host electron density per atom is 1.009361330250219 1.146569141235232 and 0.476010487296218 in total total force (eV/Angstrom) is -176.276851337489973 111.942885144950452 -321.806746135297828 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.441928362877796 maximum force (eV/Angstrom) is 0.677172225001890 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.519480519480521 60 and 19 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.503684807059017 length is 96.007569851365972 center of mass (Angstrom) is at 65.821795811936312 26.195841938937544 48.003559221739252 quasi-statics using cg at timestep 3210 quasi-statics using cg at timestep 3220 quasi-statics using cg at timestep 3230 quasi-statics using cg at timestep 3240 quasi-statics using cg at timestep 3250 quasi-statics using cg at timestep 3260 quasi-statics using cg at timestep 3270 quasi-statics using cg at timestep 3280 quasi-statics using cg at timestep 3290 quasi-statics using cg at timestep 3300 quasi-statics using cg at timestep 3310 quasi-statics using cg at timestep 3320 quasi-statics using cg at timestep 3330 quasi-statics using cg at timestep 3340 quasi-statics using cg at timestep 3350 quasi-statics using cg at timestep 3360 quasi-statics using cg at timestep 3370 quasi-statics using cg at timestep 3380 quasi-statics using cg at timestep 3390 quasi-statics using cg at timestep 3400 Update neighbor list at 3400 timestep and time 3400 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.551816290980093 0.000000000000000 and -3.539975508474347 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.153678667708404 0.108495111460531 -0.221026128670425 average/maximum/minimum number of neighbor atoms per intpo is 84.667555555555552 106 and 52 average/maximum/minimum host electron density per intpo is 0.987662028608925 1.092001178119593 and 0.728483485533372 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.331649452855768 0.000000000000000 and -3.572582969976779 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -184.697974014650470 114.572223983432778 -327.767442498781065 average/maximum/minimum number of neighbor atoms per atom is 87.568342958137237 110 and 34 average/maximum/minimum host electron density per atom is 1.010566766097352 1.149894175691167 and 0.481723969846308 in total total force (eV/Angstrom) is -184.851652682358861 114.680719094893306 -327.988468627451482 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.714774791294341 maximum force (eV/Angstrom) is 0.764341540554749 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.601663961038962 60 and 14 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.580925904959884 length is 96.007569851365972 center of mass (Angstrom) is at 65.858707133271679 26.195836163173006 48.003581874950321 quasi-statics using cg at timestep 3410 quasi-statics using cg at timestep 3420 quasi-statics using cg at timestep 3430 quasi-statics using cg at timestep 3440 quasi-statics using cg at timestep 3450 quasi-statics using cg at timestep 3460 quasi-statics using cg at timestep 3470 quasi-statics using cg at timestep 3480 quasi-statics using cg at timestep 3490 quasi-statics using cg at timestep 3500 quasi-statics using cg at timestep 3510 quasi-statics using cg at timestep 3520 quasi-statics using cg at timestep 3530 quasi-statics using cg at timestep 3540 quasi-statics using cg at timestep 3550 quasi-statics using cg at timestep 3560 quasi-statics using cg at timestep 3570 quasi-statics using cg at timestep 3580 quasi-statics using cg at timestep 3590 quasi-statics using cg at timestep 3600 timestep and time 3600 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.551202364124779 0.000000000000000 and -3.540479238349910 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.163404476592673 0.134311070716442 -0.235464397174635 average/maximum/minimum number of neighbor atoms per intpo is 84.667555555555552 106 and 52 average/maximum/minimum host electron density per intpo is 0.988804123751076 1.095944114061983 and 0.728477175012565 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.330362754039335 0.000000000000000 and -3.574199964587683 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -198.747157238797342 114.009721788909317 -342.376098329934052 average/maximum/minimum number of neighbor atoms per atom is 87.568342958137237 110 and 34 average/maximum/minimum host electron density per atom is 1.011824772913823 1.149864191877272 and 0.483134181380593 in total total force (eV/Angstrom) is -198.910561715390003 114.144032859625753 -342.611562727108662 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.808630022297176 maximum force (eV/Angstrom) is 0.873837438288535 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.601663961038962 60 and 14 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.580925904959884 length is 96.007569851365972 center of mass (Angstrom) is at 65.821790741012961 26.195840908895761 48.003568205916196 quasi-statics using cg at timestep 3610 quasi-statics using cg at timestep 3620 quasi-statics using cg at timestep 3630 quasi-statics using cg at timestep 3640 quasi-statics using cg at timestep 3650 quasi-statics using cg at timestep 3660 quasi-statics using cg at timestep 3670 quasi-statics using cg at timestep 3680 quasi-statics using cg at timestep 3690 quasi-statics using cg at timestep 3700 quasi-statics using cg at timestep 3710 quasi-statics using cg at timestep 3720 quasi-statics using cg at timestep 3730 quasi-statics using cg at timestep 3740 quasi-statics using cg at timestep 3750 quasi-statics using cg at timestep 3760 quasi-statics using cg at timestep 3770 quasi-statics using cg at timestep 3780 quasi-statics using cg at timestep 3790 quasi-statics using cg at timestep 3800 Update neighbor list at 3800 timestep and time 3800 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.550546456677428 0.000000000000000 and -3.540550711072382 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.169327378112477 0.150696224510477 -0.297428762905001 average/maximum/minimum number of neighbor atoms per intpo is 85.392888888888891 107 and 52 average/maximum/minimum host electron density per intpo is 0.990227123561983 1.100651989995907 and 0.728556919073360 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.329025659287371 0.000000000000000 and -3.577657430619695 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -205.673264313326968 117.703573160635841 -348.851395517569301 average/maximum/minimum number of neighbor atoms per atom is 87.833864238886946 110 and 29 average/maximum/minimum host electron density per atom is 1.013053012118732 1.153354365401032 and 0.483027460029886 in total total force (eV/Angstrom) is -205.842591691439452 117.854269385146324 -349.148824280474287 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 4.910665380272184 maximum force (eV/Angstrom) is 0.918464571583381 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.625304383116884 60 and 14 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.654653808309348 length is 96.007569851365972 center of mass (Angstrom) is at 65.871318300249470 26.195844540193473 48.003557548364881 quasi-statics using cg at timestep 3810 quasi-statics using cg at timestep 3820 quasi-statics using cg at timestep 3830 quasi-statics using cg at timestep 3840 quasi-statics using cg at timestep 3850 quasi-statics using cg at timestep 3860 quasi-statics using cg at timestep 3870 quasi-statics using cg at timestep 3880 quasi-statics using cg at timestep 3890 quasi-statics using cg at timestep 3900 quasi-statics using cg at timestep 3910 quasi-statics using cg at timestep 3920 quasi-statics using cg at timestep 3930 quasi-statics using cg at timestep 3940 quasi-statics using cg at timestep 3950 quasi-statics using cg at timestep 3960 quasi-statics using cg at timestep 3970 quasi-statics using cg at timestep 3980 quasi-statics using cg at timestep 3990 quasi-statics using cg at timestep 4000 timestep and time 4000 0.000000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.549798752987477 0.000000000000000 and -3.540677932388711 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -0.172865682464780 0.164050837045692 -0.359721328778073 average/maximum/minimum number of neighbor atoms per intpo is 85.392888888888891 107 and 52 average/maximum/minimum host electron density per intpo is 0.991896563414418 1.106794044838613 and 0.728652429497687 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.327651841541964 0.000000000000000 and -3.578856663408128 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is -220.774751508803519 135.665305272594679 -374.611588149496413 average/maximum/minimum number of neighbor atoms per atom is 87.833864238886946 110 and 29 average/maximum/minimum host electron density per atom is 1.014227846654412 1.156054832245023 and 0.480969117747921 in total total force (eV/Angstrom) is -220.947617191268307 135.829356109640372 -374.971309478274463 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 5.460316271328337 maximum force (eV/Angstrom) is 0.952780678353631 average/maximum/minimum number of neighbor cells per cell is 24.678571428571427 27 and 14 average/maximum/minimum number of atomps per cell is 26.625304383116884 60 and 14 box boundaries/lengths are (Angstrom) x from -0.639047753497337 to 132.282884973949876 length is 132.921932727447228 y from -35.788576073151468 to 88.180085128608013 length is 123.968661201759488 z from -0.000000119209295 to 96.654653808309348 length is 96.007569851365972 center of mass (Angstrom) is at 65.821799448499064 26.195841845872188 48.003572636114157 Elapsed time (in h) Total time (%) 8.807397732399403 Interaction time (%) 14.673878941039245( 166.608564605400545) Neighbor time (%) 0.008505714842015( 0.096574664849360) Communication time (%) 1.448638209075563( 16.447970820558254) Input/Output time (%) 0.059631780953043( 0.677064699073122) Other time (%) -7.383256913510461( -83.830174789881298)