Concurrent Atomistic-Continuum (CAC) Simulator PI: Prof. David L. McDowell (Georgia Tech) Contact: david.mcdowell@me.gatech.edu Version: 1.0 There are 5 elements 40 nodes 37687 atoms, and 2464 cells The system contains 1 grains The lattice space of grain 1 is x 4.311101947298386 y 2.489015869776651 z 6.096818842642445 The unit length of grain 1 is x 2.874067964865596 y 4.978031739553295 z 2.032272947547482 The boundaries of grain 1 prior to modification are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -0.622253967444159 to 128.806571260941524 length is 129.428825228385676 z from -25.403411844343530 to 27.435684791891013 length is 52.839096636234544 The boundary conditions are p in the x direction s in the y direction s in the z direction The periodic bounary conditions are applied on direction 1 with periodic length 77.599825809955192 The box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.346690773377105 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 The lattice_space_max are x 4.311101947298386 y 2.489015869776651 z 6.096818842642445 The box contains number of lattice_space_max x 17.999997856368076 y 52.062674878184353 z 8.358857666084404 In coarse-grained domain, there are 5 elements with 40 and nodes There are 1 element types The 1 type contains 2197 atoms per element In atomistic domain, there are 37687 atoms There are 10985 atomaps in mapping configuration The unit cell volume is 10.903551999999999 Angstrom^3 The lattice name is Ni , the type is fcc , and the lattice parameter is 3.520000000000000 Angstrom The atomic mass is 58.693399999999997 g/mol The potential type is eam The cutoff radius are 5.803750000000000 and 6.803750000000000 Angstrom There are 2 modify The 1 modify style is cg2at The 1 modify shape is sphere Group/Modify 1 is inside the bound Group/Modify 1 is centered at 38.440659030077271, 86.493301474738615, and 0.812909179018984 its radius is 9.754910148227914 The 2 modify style is dislocat There is a dislocation in modify 2 with line direction 1, slip plane normal direction 3, origin 38.440659030077271 21.778888860545699 0.203227294754743, and character angle 90.000000000000000 The output is done every 200 step The reduce is done every 200 step The restart is done every 500 step The given temperature is 10.000000000000000 k There are 4 groups: Group 1 has 0 elements 0 nodes and 355 atoms Group 1 has shape sphere and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 1 is inside the bound Group/Modify 1 is centered at 38.440659030077271, 85.877422220736861, and 1.173566278384506 its radius is 9.754910148227914 Group 2 has 4 elements 16 nodes and 2392 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 -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.346690773377105 length is 129.584823994823012 z from -25.042754744978009 to -21.994345323656788 length is 3.048409421321221 Group 3 has 1 elements 4 nodes and 1703 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 -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.346690773377105 length is 129.584823994823012 z from 24.341477880425796 to 25.919686176571641 length is 1.578208296145846 Group 4 has 2 elements 2 nodes and 698 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 -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 1.250882648330734 length is 2.489015869776651 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 Group 1 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 2 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 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 -2.106762776325815 0.000000000000000 and -4.449856121777678 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is 0.084992502414200 0.354892879465007 -0.173329441731779 average/maximum/minimum number of neighbor atoms per intpo is 117.161600000000007 136 and 45 average/maximum/minimum host electron density per intpo is 0.939363048027905 1.031816319998434 and 0.411537613290249 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835584486402229 0.000000000000000 and -4.455105566721417 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is 38.670539798930164 -346.255860721837109 129.664120491794506 average/maximum/minimum number of neighbor atoms per atom is 123.990712977949954 135 and 45 average/maximum/minimum host electron density per atom is 0.966398993707711 1.044338592427605 and 0.408341762209764 in total total force (eV/Angstrom) is 38.755532301344367 -345.900967842372097 129.490791050062739 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 ave kinetic energy (eV) is 0.000000000000000 global force vector length (eV/Angstrom) is 36.933809363967043 maximum force (eV/Angstrom) is 3.881766860693313 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.586850649350652 160 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.346690773377105 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.440659030077441 64.094215975566442 0.469743676553372 dynamics using ld at timestep 10 dynamics using ld at timestep 20 dynamics using ld at timestep 30 dynamics using ld at timestep 40 dynamics using ld at timestep 50 dynamics using ld at timestep 60 dynamics using ld at timestep 70 dynamics using ld at timestep 80 dynamics using ld at timestep 90 dynamics using ld at timestep 100 dynamics using ld at timestep 110 dynamics using ld at timestep 120 dynamics using ld at timestep 130 dynamics using ld at timestep 140 dynamics using ld at timestep 150 dynamics using ld at timestep 160 dynamics using ld at timestep 170 dynamics using ld at timestep 180 dynamics using ld at timestep 190 dynamics using ld at timestep 200 Update neighbor list at 200 timestep and time 200 0.400000000000000 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110472613941563 0.000000000000000 and -4.449785037192472 ave velocity (Angstrom/ps) is 0.054275521409922 -0.045510940564745 -0.000026968007917 total force (eV/Angstrom) is -0.214309022734987 -0.254828138834728 -0.006568570723602 average/maximum/minimum number of neighbor atoms per intpo is 117.400000000000006 135 and 45 average/maximum/minimum host electron density per intpo is 0.939874187049177 1.018290204485653 and 0.412681614161484 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835826545307053 0.000000000000000 and -4.455672952849795 ave velocity (Angstrom/ps) is -0.004185742537971 0.036080925412807 0.000768296465349 total force (eV/Angstrom) is 43.397538323558152 -26.554317822927608 176.312224466217430 average/maximum/minimum number of neighbor atoms per atom is 123.993180672380390 135 and 45 average/maximum/minimum host electron density per atom is 0.966561959237646 1.027727306408644 and 0.408159868407209 in total total force (eV/Angstrom) is 43.183229300823164 -26.809145961762336 176.305655895493828 ave velocity (Angstrom/ps) is -0.004123759063062 0.035994417748824 0.000767453287282 ave kinetic energy (eV) is 0.001061687636842 global force vector length (eV/Angstrom) is 34.502824225511979 maximum force (eV/Angstrom) is 2.108099195234526 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.821834415584412 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.399780268827584 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.442919627933605 64.092653865365946 0.469743676553372 dynamics using ld at timestep 210 dynamics using ld at timestep 220 dynamics using ld at timestep 230 dynamics using ld at timestep 240 dynamics using ld at timestep 250 dynamics using ld at timestep 260 dynamics using ld at timestep 270 dynamics using ld at timestep 280 dynamics using ld at timestep 290 dynamics using ld at timestep 300 dynamics using ld at timestep 310 dynamics using ld at timestep 320 dynamics using ld at timestep 330 dynamics using ld at timestep 340 dynamics using ld at timestep 350 dynamics using ld at timestep 360 dynamics using ld at timestep 370 dynamics using ld at timestep 380 dynamics using ld at timestep 390 dynamics using ld at timestep 400 timestep and time 400 0.800000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110492076841572 0.000000000000000 and -4.449513373936626 ave velocity (Angstrom/ps) is 0.038062438541258 0.005451885321295 0.000187679065778 total force (eV/Angstrom) is -0.088888299187543 -0.276737256990004 0.045712802395822 average/maximum/minimum number of neighbor atoms per intpo is 117.400000000000006 135 and 45 average/maximum/minimum host electron density per intpo is 0.939806493553856 1.016880079785531 and 0.412844621395490 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835693859440652 0.000000000000000 and -4.457488745959896 ave velocity (Angstrom/ps) is 0.049297763727583 -0.016990179732122 0.000651374974243 total force (eV/Angstrom) is 44.775171024924603 -43.121841857857461 149.480540195265633 average/maximum/minimum number of neighbor atoms per atom is 123.993180672380390 135 and 45 average/maximum/minimum host electron density per atom is 0.966309402720766 1.024294139006964 and 0.407997805881366 in total total force (eV/Angstrom) is 44.686282725737058 -43.398579114847465 149.526252997661459 ave velocity (Angstrom/ps) is 0.049285851489466 -0.016966385563432 0.000650883341292 ave kinetic energy (eV) is 0.000921409326746 global force vector length (eV/Angstrom) is 35.086123022158105 maximum force (eV/Angstrom) is 1.799610494230524 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.821834415584412 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.399780268827584 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.455396324696842 64.096925457606474 0.469743676553372 dynamics using ld at timestep 410 dynamics using ld at timestep 420 dynamics using ld at timestep 430 dynamics using ld at timestep 440 dynamics using ld at timestep 450 dynamics using ld at timestep 460 dynamics using ld at timestep 470 dynamics using ld at timestep 480 dynamics using ld at timestep 490 dynamics using ld at timestep 500 dynamics using ld at timestep 510 dynamics using ld at timestep 520 dynamics using ld at timestep 530 dynamics using ld at timestep 540 dynamics using ld at timestep 550 dynamics using ld at timestep 560 dynamics using ld at timestep 570 dynamics using ld at timestep 580 dynamics using ld at timestep 590 dynamics using ld at timestep 600 Update neighbor list at 600 timestep and time 600 1.200000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110244677607288 0.000000000000000 and -4.449425601753194 ave velocity (Angstrom/ps) is 0.030618992536019 -0.039169327590706 -0.000794255821852 total force (eV/Angstrom) is 0.174315185917300 -0.306651036363148 -0.193456096371272 average/maximum/minimum number of neighbor atoms per intpo is 117.228800000000007 135 and 45 average/maximum/minimum host electron density per intpo is 0.938950412038772 1.018677844865135 and 0.413242257460661 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835869225130891 0.000000000000000 and -4.457464004468310 ave velocity (Angstrom/ps) is 0.012012656492009 -0.016604994052152 0.000646356390903 total force (eV/Angstrom) is -17.928965565330678 15.920737535564482 148.328852491059052 average/maximum/minimum number of neighbor atoms per atom is 124.032637248918732 135 and 45 average/maximum/minimum host electron density per atom is 0.966523061694986 1.028261401053840 and 0.407837610407067 in total total force (eV/Angstrom) is -17.754650379413377 15.614086499201335 148.135396394687774 ave velocity (Angstrom/ps) is 0.012032383834278 -0.016628917855835 0.000644828983781 ave kinetic energy (eV) is 0.000943405329491 global force vector length (eV/Angstrom) is 36.568432030327905 maximum force (eV/Angstrom) is 2.590398457837057 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.995535714285715 164 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.507485895062189 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.454060912497432 64.086855637791757 0.469743676553372 dynamics using ld at timestep 610 dynamics using ld at timestep 620 dynamics using ld at timestep 630 dynamics using ld at timestep 640 dynamics using ld at timestep 650 dynamics using ld at timestep 660 dynamics using ld at timestep 670 dynamics using ld at timestep 680 dynamics using ld at timestep 690 dynamics using ld at timestep 700 dynamics using ld at timestep 710 dynamics using ld at timestep 720 dynamics using ld at timestep 730 dynamics using ld at timestep 740 dynamics using ld at timestep 750 dynamics using ld at timestep 760 dynamics using ld at timestep 770 dynamics using ld at timestep 780 dynamics using ld at timestep 790 dynamics using ld at timestep 800 Update neighbor list at 800 timestep and time 800 1.600000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110332215342752 0.000000000000000 and -4.449265671013223 ave velocity (Angstrom/ps) is -0.008068277771778 -0.023156089302258 0.001247809554556 total force (eV/Angstrom) is -0.357739407773886 -0.094894398292171 0.303927725548757 average/maximum/minimum number of neighbor atoms per intpo is 117.224000000000004 135 and 45 average/maximum/minimum host electron density per intpo is 0.938535401072445 1.022128688135837 and 0.412414474386630 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835836999309054 0.000000000000000 and -4.459682409574866 ave velocity (Angstrom/ps) is -0.018949646504283 0.022029380155352 0.000611182820379 total force (eV/Angstrom) is -10.893645426957722 28.260141065364653 140.257058930592819 average/maximum/minimum number of neighbor atoms per atom is 124.043012179266057 135 and 45 average/maximum/minimum host electron density per atom is 0.966896941752542 1.036148196127723 and 0.407668091300651 in total total force (eV/Angstrom) is -11.251384834731608 28.165246667072481 140.560986656141580 ave velocity (Angstrom/ps) is -0.018938109548011 0.021981472323340 0.000611857803001 ave kinetic energy (eV) is 0.000909103713593 global force vector length (eV/Angstrom) is 36.920775140228386 maximum force (eV/Angstrom) is 2.986953729871582 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.120941558441558 168 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.561645527819167 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.436750686266471 64.091583728059462 0.469743676553372 dynamics using ld at timestep 810 dynamics using ld at timestep 820 dynamics using ld at timestep 830 dynamics using ld at timestep 840 dynamics using ld at timestep 850 dynamics using ld at timestep 860 dynamics using ld at timestep 870 dynamics using ld at timestep 880 dynamics using ld at timestep 890 dynamics using ld at timestep 900 dynamics using ld at timestep 910 dynamics using ld at timestep 920 dynamics using ld at timestep 930 dynamics using ld at timestep 940 dynamics using ld at timestep 950 dynamics using ld at timestep 960 dynamics using ld at timestep 970 dynamics using ld at timestep 980 dynamics using ld at timestep 990 dynamics using ld at timestep 1000 Update neighbor list at 1000 timestep and time 1000 2.000000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110795810180847 0.000000000000000 and -4.448646072961425 ave velocity (Angstrom/ps) is -0.048467670064008 -0.043703314778087 -0.001530755479577 total force (eV/Angstrom) is -0.037475184370453 -0.252434812868426 -0.372844581595360 average/maximum/minimum number of neighbor atoms per intpo is 117.380799999999994 135 and 45 average/maximum/minimum host electron density per intpo is 0.939433976833724 1.020193089632112 and 0.412297349844515 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835676003974259 0.000000000000000 and -4.457779141736200 ave velocity (Angstrom/ps) is -0.023977672031859 0.035125834359892 0.000556650742851 total force (eV/Angstrom) is -9.295375137303711 -4.606964132420170 127.742785694456416 average/maximum/minimum number of neighbor atoms per atom is 124.035264149441446 136 and 45 average/maximum/minimum host electron density per atom is 0.966571347194725 1.028119931820560 and 0.407295132272019 in total total force (eV/Angstrom) is -9.332850321674163 -4.859398945288597 127.369941112861056 ave velocity (Angstrom/ps) is -0.024003637518680 0.035042255862648 0.000554437573267 ave kinetic energy (eV) is 0.000903224164266 global force vector length (eV/Angstrom) is 36.932084712663297 maximum force (eV/Angstrom) is 2.683103952249606 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.013392857142854 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.605053886685425 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.435597154311104 64.102335001950181 0.469743676553372 dynamics using ld at timestep 1010 dynamics using ld at timestep 1020 dynamics using ld at timestep 1030 dynamics using ld at timestep 1040 dynamics using ld at timestep 1050 dynamics using ld at timestep 1060 dynamics using ld at timestep 1070 dynamics using ld at timestep 1080 dynamics using ld at timestep 1090 dynamics using ld at timestep 1100 dynamics using ld at timestep 1110 dynamics using ld at timestep 1120 dynamics using ld at timestep 1130 dynamics using ld at timestep 1140 dynamics using ld at timestep 1150 dynamics using ld at timestep 1160 dynamics using ld at timestep 1170 dynamics using ld at timestep 1180 dynamics using ld at timestep 1190 dynamics using ld at timestep 1200 Update neighbor list at 1200 timestep and time 1200 2.399999999999957 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110778670173496 0.000000000000000 and -4.448854105556059 ave velocity (Angstrom/ps) is 0.005309984336405 -0.057761040461332 -0.002778654423829 total force (eV/Angstrom) is -0.167771670048161 -0.134519812510096 -0.676794079702882 average/maximum/minimum number of neighbor atoms per intpo is 117.387200000000007 135 and 45 average/maximum/minimum host electron density per intpo is 0.939130474095706 1.019023230110573 and 0.413343651920178 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835594477940524 0.000000000000000 and -4.459230633550593 ave velocity (Angstrom/ps) is -0.032241303891984 0.021916354101353 0.000578124741466 total force (eV/Angstrom) is 15.853175459013663 -16.932367376728521 132.670738164349672 average/maximum/minimum number of neighbor atoms per atom is 124.015336853556931 135 and 45 average/maximum/minimum host electron density per atom is 0.966554687438004 1.026437129442640 and 0.407329289735468 in total total force (eV/Angstrom) is 15.685403788965502 -17.066887189238617 131.993944084646785 ave velocity (Angstrom/ps) is -0.032201490190148 0.021831876253061 0.000574565720961 ave kinetic energy (eV) is 0.000882280301922 global force vector length (eV/Angstrom) is 36.940084194205262 maximum force (eV/Angstrom) is 2.453825912354292 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.961038961038959 169 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.650742666713910 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.429932214022976 64.100054580787940 0.469743676553372 dynamics using ld at timestep 1210 dynamics using ld at timestep 1220 dynamics using ld at timestep 1230 dynamics using ld at timestep 1240 dynamics using ld at timestep 1250 dynamics using ld at timestep 1260 dynamics using ld at timestep 1270 dynamics using ld at timestep 1280 dynamics using ld at timestep 1290 dynamics using ld at timestep 1300 dynamics using ld at timestep 1310 dynamics using ld at timestep 1320 dynamics using ld at timestep 1330 dynamics using ld at timestep 1340 dynamics using ld at timestep 1350 dynamics using ld at timestep 1360 dynamics using ld at timestep 1370 dynamics using ld at timestep 1380 dynamics using ld at timestep 1390 dynamics using ld at timestep 1400 Update neighbor list at 1400 timestep and time 1400 2.799999999999913 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110724304239602 0.000000000000000 and -4.448356240324835 ave velocity (Angstrom/ps) is -0.003657630311579 -0.106100002295123 -0.000342735561689 total force (eV/Angstrom) is 0.122796060853413 0.590808137802748 -0.083479758067584 average/maximum/minimum number of neighbor atoms per intpo is 117.321600000000004 135 and 45 average/maximum/minimum host electron density per intpo is 0.938655208674739 1.015314579062409 and 0.413449720445734 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835546941868622 0.000000000000000 and -4.457899306709823 ave velocity (Angstrom/ps) is -0.004019267049832 -0.022336485586360 0.000416059505774 total force (eV/Angstrom) is 14.178876044299075 -31.221687022026181 95.479258700026918 average/maximum/minimum number of neighbor atoms per atom is 124.010666808183188 136 and 45 average/maximum/minimum host electron density per atom is 0.966742629730831 1.024522236652536 and 0.407160744784500 in total total force (eV/Angstrom) is 14.301672105152488 -30.630878884223431 95.395778941959335 ave velocity (Angstrom/ps) is -0.004018883624976 -0.022425295740052 0.000415254994345 ave kinetic energy (eV) is 0.000848685699060 global force vector length (eV/Angstrom) is 36.929923796626511 maximum force (eV/Angstrom) is 2.447958870766609 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.989853896103895 165 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.709488664305212 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.430995599417464 64.086997363225123 0.469743676553371 dynamics using ld at timestep 1410 dynamics using ld at timestep 1420 dynamics using ld at timestep 1430 dynamics using ld at timestep 1440 dynamics using ld at timestep 1450 dynamics using ld at timestep 1460 dynamics using ld at timestep 1470 dynamics using ld at timestep 1480 dynamics using ld at timestep 1490 dynamics using ld at timestep 1500 dynamics using ld at timestep 1510 dynamics using ld at timestep 1520 dynamics using ld at timestep 1530 dynamics using ld at timestep 1540 dynamics using ld at timestep 1550 dynamics using ld at timestep 1560 dynamics using ld at timestep 1570 dynamics using ld at timestep 1580 dynamics using ld at timestep 1590 dynamics using ld at timestep 1600 timestep and time 1600 3.199999999999869 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110631390529216 0.000000000000000 and -4.447770994602784 ave velocity (Angstrom/ps) is 0.024530254601875 -0.033466663742763 -0.000426011604376 total force (eV/Angstrom) is -0.190781929701759 -0.037524249872392 -0.103763220519294 average/maximum/minimum number of neighbor atoms per intpo is 117.321600000000004 135 and 45 average/maximum/minimum host electron density per intpo is 0.938772540644709 1.016156746515900 and 0.413399885632160 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835442470808856 0.000000000000000 and -4.458557557416855 ave velocity (Angstrom/ps) is 0.010128202269866 -0.007141487314883 0.000553138793734 total force (eV/Angstrom) is 3.757150996586833 12.977027576626005 126.936847376389224 average/maximum/minimum number of neighbor atoms per atom is 124.010666808183188 136 and 45 average/maximum/minimum host electron density per atom is 0.966777243760461 1.026306933234307 and 0.406925909953566 in total total force (eV/Angstrom) is 3.566369066885074 12.939503326753613 126.833084155869926 ave velocity (Angstrom/ps) is 0.010143472026096 -0.007169398547080 0.000552100650867 ave kinetic energy (eV) is 0.000817710123676 global force vector length (eV/Angstrom) is 37.112053066113070 maximum force (eV/Angstrom) is 2.415766102619830 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.989853896103895 165 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.709488664305212 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.449610243938508 64.083307203211348 0.469743676553372 dynamics using ld at timestep 1610 dynamics using ld at timestep 1620 dynamics using ld at timestep 1630 dynamics using ld at timestep 1640 dynamics using ld at timestep 1650 dynamics using ld at timestep 1660 dynamics using ld at timestep 1670 dynamics using ld at timestep 1680 dynamics using ld at timestep 1690 dynamics using ld at timestep 1700 dynamics using ld at timestep 1710 dynamics using ld at timestep 1720 dynamics using ld at timestep 1730 dynamics using ld at timestep 1740 dynamics using ld at timestep 1750 dynamics using ld at timestep 1760 dynamics using ld at timestep 1770 dynamics using ld at timestep 1780 dynamics using ld at timestep 1790 dynamics using ld at timestep 1800 Update neighbor list at 1800 timestep and time 1800 3.599999999999825 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110598682109541 0.000000000000000 and -4.447516321925325 ave velocity (Angstrom/ps) is 0.039627543079035 0.059272951099188 -0.000325822679715 total force (eV/Angstrom) is 0.083702073291149 -0.224143301951286 -0.079360304316101 average/maximum/minimum number of neighbor atoms per intpo is 117.425600000000003 135 and 45 average/maximum/minimum host electron density per intpo is 0.939545130025458 1.019376891421752 and 0.412845964435243 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835343041214828 0.000000000000000 and -4.457032626112705 ave velocity (Angstrom/ps) is 0.016950416809938 0.028031041008397 0.000345338048497 total force (eV/Angstrom) is -18.785495137105567 4.089054057598161 79.249771760611424 average/maximum/minimum number of neighbor atoms per atom is 124.003502534030304 136 and 45 average/maximum/minimum host electron density per atom is 0.966554805737359 1.024564423381535 and 0.406779666016529 in total total force (eV/Angstrom) is -18.701793063814417 3.864910755646875 79.170411456295327 ave velocity (Angstrom/ps) is 0.016974460201958 0.028064165200716 0.000344626451256 ave kinetic energy (eV) is 0.000795444844681 global force vector length (eV/Angstrom) is 37.146728367292120 maximum force (eV/Angstrom) is 2.439715597708739 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.004058441558442 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.817519959044489 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.448464175747560 64.100148223682226 0.469743676553372 dynamics using ld at timestep 1810 dynamics using ld at timestep 1820 dynamics using ld at timestep 1830 dynamics using ld at timestep 1840 dynamics using ld at timestep 1850 dynamics using ld at timestep 1860 dynamics using ld at timestep 1870 dynamics using ld at timestep 1880 dynamics using ld at timestep 1890 dynamics using ld at timestep 1900 dynamics using ld at timestep 1910 dynamics using ld at timestep 1920 dynamics using ld at timestep 1930 dynamics using ld at timestep 1940 dynamics using ld at timestep 1950 dynamics using ld at timestep 1960 dynamics using ld at timestep 1970 dynamics using ld at timestep 1980 dynamics using ld at timestep 1990 dynamics using ld at timestep 2000 timestep and time 2000 3.999999999999781 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110363946008694 0.000000000000000 and -4.446907510967367 ave velocity (Angstrom/ps) is 0.021598236733389 0.006255106793852 0.001887471164283 total force (eV/Angstrom) is 0.264538787717807 -0.494062313353039 0.459729464247750 average/maximum/minimum number of neighbor atoms per intpo is 117.425600000000003 135 and 45 average/maximum/minimum host electron density per intpo is 0.939142132195859 1.019024690936482 and 0.413000322698387 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835294227891613 0.000000000000000 and -4.458907002793641 ave velocity (Angstrom/ps) is 0.004835945794454 0.023463088206266 0.000528879410256 total force (eV/Angstrom) is -21.416057972433677 -11.179974520995533 121.369691912282462 average/maximum/minimum number of neighbor atoms per atom is 124.003502534030304 136 and 45 average/maximum/minimum host electron density per atom is 0.966776611472921 1.024991292577402 and 0.406640140153058 in total total force (eV/Angstrom) is -21.151519184715870 -11.674036834348572 121.829421376530206 ave velocity (Angstrom/ps) is 0.004853717990429 0.023444843467577 0.000530319855300 ave kinetic energy (eV) is 0.000793413969587 global force vector length (eV/Angstrom) is 37.132459174733206 maximum force (eV/Angstrom) is 2.403325475444367 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.004058441558442 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.817519959044489 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.439769958929659 64.107834181637855 0.469743676553372 dynamics using ld at timestep 2010 dynamics using ld at timestep 2020 dynamics using ld at timestep 2030 dynamics using ld at timestep 2040 dynamics using ld at timestep 2050 dynamics using ld at timestep 2060 dynamics using ld at timestep 2070 dynamics using ld at timestep 2080 dynamics using ld at timestep 2090 dynamics using ld at timestep 2100 dynamics using ld at timestep 2110 dynamics using ld at timestep 2120 dynamics using ld at timestep 2130 dynamics using ld at timestep 2140 dynamics using ld at timestep 2150 dynamics using ld at timestep 2160 dynamics using ld at timestep 2170 dynamics using ld at timestep 2180 dynamics using ld at timestep 2190 dynamics using ld at timestep 2200 timestep and time 2200 4.399999999999737 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110222045401467 0.000000000000000 and -4.447173492540312 ave velocity (Angstrom/ps) is -0.012858249313954 0.001068809099328 -0.000042998114876 total force (eV/Angstrom) is 0.116855039336708 0.306469117341230 -0.010473007847623 average/maximum/minimum number of neighbor atoms per intpo is 117.425600000000003 135 and 45 average/maximum/minimum host electron density per intpo is 0.938835451109767 1.016941887671765 and 0.413567125669230 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835165894824202 0.000000000000000 and -4.457787423575205 ave velocity (Angstrom/ps) is 0.005135996816423 0.006134734633640 0.000340759676360 total force (eV/Angstrom) is 40.730347572659461 -12.830698564135856 78.199105758145606 average/maximum/minimum number of neighbor atoms per atom is 124.003502534030304 136 and 45 average/maximum/minimum host electron density per atom is 0.966818021712531 1.023088734326948 and 0.406126001751441 in total total force (eV/Angstrom) is 40.847202611996167 -12.524229446794626 78.188632750297984 ave velocity (Angstrom/ps) is 0.005116918441646 0.006129363493041 0.000340352797688 ave kinetic energy (eV) is 0.000784521614798 global force vector length (eV/Angstrom) is 37.335239333887451 maximum force (eV/Angstrom) is 2.416506449221143 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.004058441558442 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.817519959044489 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.441981074783925 64.099874229389968 0.469743676553372 dynamics using ld at timestep 2210 dynamics using ld at timestep 2220 dynamics using ld at timestep 2230 dynamics using ld at timestep 2240 dynamics using ld at timestep 2250 dynamics using ld at timestep 2260 dynamics using ld at timestep 2270 dynamics using ld at timestep 2280 dynamics using ld at timestep 2290 dynamics using ld at timestep 2300 dynamics using ld at timestep 2310 dynamics using ld at timestep 2320 dynamics using ld at timestep 2330 dynamics using ld at timestep 2340 dynamics using ld at timestep 2350 dynamics using ld at timestep 2360 dynamics using ld at timestep 2370 dynamics using ld at timestep 2380 dynamics using ld at timestep 2390 dynamics using ld at timestep 2400 timestep and time 2400 4.799999999999693 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110035263783091 0.000000000000000 and -4.446118572818577 ave velocity (Angstrom/ps) is -0.012759238360254 -0.058872166749420 0.000511383103757 total force (eV/Angstrom) is 0.121058723532028 0.299470862687376 0.124557071262440 average/maximum/minimum number of neighbor atoms per intpo is 117.425600000000003 135 and 45 average/maximum/minimum host electron density per intpo is 0.939259780309919 1.016939071669932 and 0.414027688125759 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.835060582080757 0.000000000000000 and -4.458976291120697 ave velocity (Angstrom/ps) is 0.018229216318337 -0.006018587642961 0.000471712860468 total force (eV/Angstrom) is 8.007049659167162 -9.170004134052510 108.250847803446732 average/maximum/minimum number of neighbor atoms per atom is 124.003502534030304 136 and 45 average/maximum/minimum host electron density per atom is 0.966630385708067 1.020206209465685 and 0.406293858785951 in total total force (eV/Angstrom) is 8.128108382699189 -8.870533271365135 108.375404874709176 ave velocity (Angstrom/ps) is 0.018196360851770 -0.006074625577709 0.000471754920789 ave kinetic energy (eV) is 0.000793938446586 global force vector length (eV/Angstrom) is 37.318148698304256 maximum force (eV/Angstrom) is 2.427935499525710 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.004058441558442 167 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.238133221445917 to 128.817519959044489 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.444178380514451 64.094048694983996 0.469743676553372 dynamics using ld at timestep 2410 dynamics using ld at timestep 2420 dynamics using ld at timestep 2430 dynamics using ld at timestep 2440 dynamics using ld at timestep 2450 dynamics using ld at timestep 2460 dynamics using ld at timestep 2470 dynamics using ld at timestep 2480 dynamics using ld at timestep 2490 dynamics using ld at timestep 2500 dynamics using ld at timestep 2510 dynamics using ld at timestep 2520 dynamics using ld at timestep 2530 dynamics using ld at timestep 2540 dynamics using ld at timestep 2550 dynamics using ld at timestep 2560 dynamics using ld at timestep 2570 dynamics using ld at timestep 2580 dynamics using ld at timestep 2590 dynamics using ld at timestep 2600 Update neighbor list at 2600 timestep and time 2600 5.199999999999649 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.109974428142071 0.000000000000000 and -4.445542164113411 ave velocity (Angstrom/ps) is -0.011464714022567 -0.024150251495746 0.000158486031346 total force (eV/Angstrom) is -0.344629177440241 0.188098651478925 0.038602284188530 average/maximum/minimum number of neighbor atoms per intpo is 117.427199999999999 135 and 45 average/maximum/minimum host electron density per intpo is 0.939068849293783 1.015179301303690 and 0.413594226944287 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834981242342347 0.000000000000000 and -4.458281583735706 ave velocity (Angstrom/ps) is 0.006864567796629 -0.000850904004687 0.000381660743975 total force (eV/Angstrom) is -8.250096614988079 17.664250931849651 87.585271827417188 average/maximum/minimum number of neighbor atoms per atom is 124.020962135484382 136 and 45 average/maximum/minimum host electron density per atom is 0.966721409910426 1.020290305115934 and 0.405795858002538 in total total force (eV/Angstrom) is -8.594725792428321 17.852349583328575 87.623874111605716 ave velocity (Angstrom/ps) is 0.006845134200723 -0.000875607105905 0.000381424123292 ave kinetic energy (eV) is 0.000807869462220 global force vector length (eV/Angstrom) is 37.302621320453852 maximum force (eV/Angstrom) is 2.261237644755476 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.117288961038959 173 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.421564189247641 to 129.009600312938915 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.443840953688827 64.089135983359455 0.469743676553372 dynamics using ld at timestep 2610 dynamics using ld at timestep 2620 dynamics using ld at timestep 2630 dynamics using ld at timestep 2640 dynamics using ld at timestep 2650 dynamics using ld at timestep 2660 dynamics using ld at timestep 2670 dynamics using ld at timestep 2680 dynamics using ld at timestep 2690 dynamics using ld at timestep 2700 dynamics using ld at timestep 2710 dynamics using ld at timestep 2720 dynamics using ld at timestep 2730 dynamics using ld at timestep 2740 dynamics using ld at timestep 2750 dynamics using ld at timestep 2760 dynamics using ld at timestep 2770 dynamics using ld at timestep 2780 dynamics using ld at timestep 2790 dynamics using ld at timestep 2800 timestep and time 2800 5.599999999999605 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.110423476610396 0.000000000000000 and -4.445699452352013 ave velocity (Angstrom/ps) is -0.009497477194819 -0.038038101979251 -0.000920874152323 total force (eV/Angstrom) is -0.067462671252276 -0.065873228807603 -0.224296396521498 average/maximum/minimum number of neighbor atoms per intpo is 117.427199999999999 135 and 45 average/maximum/minimum host electron density per intpo is 0.938346784153051 1.013432214891231 and 0.413331833293826 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834833042043827 0.000000000000000 and -4.458529949592796 ave velocity (Angstrom/ps) is -0.008174328815767 0.024741443313076 0.000290994786519 total force (eV/Angstrom) is 5.976851049298427 10.302901751051001 66.778828789733566 average/maximum/minimum number of neighbor atoms per atom is 124.020962135484382 136 and 45 average/maximum/minimum host electron density per atom is 0.966933295230596 1.022068695947944 and 0.405939403488491 in total total force (eV/Angstrom) is 5.909388378046151 10.237028522243399 66.554532393212071 ave velocity (Angstrom/ps) is -0.008175731682021 0.024674881386295 0.000289709904139 ave kinetic energy (eV) is 0.000840743086900 global force vector length (eV/Angstrom) is 37.289698184054281 maximum force (eV/Angstrom) is 2.194568516811382 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.117288961038959 173 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.421564189247641 to 129.009600312938915 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.438404557513401 64.096863403831662 0.469743676553372 dynamics using ld at timestep 2810 dynamics using ld at timestep 2820 dynamics using ld at timestep 2830 dynamics using ld at timestep 2840 dynamics using ld at timestep 2850 dynamics using ld at timestep 2860 dynamics using ld at timestep 2870 dynamics using ld at timestep 2880 dynamics using ld at timestep 2890 dynamics using ld at timestep 2900 dynamics using ld at timestep 2910 dynamics using ld at timestep 2920 dynamics using ld at timestep 2930 dynamics using ld at timestep 2940 dynamics using ld at timestep 2950 dynamics using ld at timestep 2960 dynamics using ld at timestep 2970 dynamics using ld at timestep 2980 dynamics using ld at timestep 2990 dynamics using ld at timestep 3000 Update neighbor list at 3000 timestep and time 3000 5.999999999999561 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.111480325762138 0.000000000000000 and -4.447877587216548 ave velocity (Angstrom/ps) is -0.032639255761537 -0.052896276254529 0.000801808626326 total force (eV/Angstrom) is -0.130324336181527 0.141954573005435 0.195295725405333 average/maximum/minimum number of neighbor atoms per intpo is 117.580799999999996 135 and 45 average/maximum/minimum host electron density per intpo is 0.938659062513770 1.014169307092843 and 0.414226892470703 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834500310374401 0.000000000000000 and -4.457847186680083 ave velocity (Angstrom/ps) is 0.008061336840121 0.024700058975159 0.000315484124655 total force (eV/Angstrom) is -17.792804724434660 16.078043138736298 72.398755311722141 average/maximum/minimum number of neighbor atoms per atom is 124.018361769310374 136 and 45 average/maximum/minimum host electron density per atom is 0.966929944283689 1.025802929301911 and 0.405328741205894 in total total force (eV/Angstrom) is -17.923129060616187 16.219997711741733 72.594051037127471 ave velocity (Angstrom/ps) is 0.008018184092644 0.024617787567171 0.000315999749540 ave kinetic energy (eV) is 0.000903460540534 global force vector length (eV/Angstrom) is 37.472864321907124 maximum force (eV/Angstrom) is 2.270985852713519 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.062094155844157 174 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.528239933924991 to 129.105626166390039 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.439434595729871 64.098597464350064 0.469743676553372 dynamics using ld at timestep 3010 dynamics using ld at timestep 3020 dynamics using ld at timestep 3030 dynamics using ld at timestep 3040 dynamics using ld at timestep 3050 dynamics using ld at timestep 3060 dynamics using ld at timestep 3070 dynamics using ld at timestep 3080 dynamics using ld at timestep 3090 dynamics using ld at timestep 3100 dynamics using ld at timestep 3110 dynamics using ld at timestep 3120 dynamics using ld at timestep 3130 dynamics using ld at timestep 3140 dynamics using ld at timestep 3150 dynamics using ld at timestep 3160 dynamics using ld at timestep 3170 dynamics using ld at timestep 3180 dynamics using ld at timestep 3190 dynamics using ld at timestep 3200 Update neighbor list at 3200 timestep and time 3200 6.399999999999517 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.111979529086660 0.000000000000000 and -4.448937928939528 ave velocity (Angstrom/ps) is -0.010104839744310 -0.122044549336175 0.000234770280200 total force (eV/Angstrom) is -0.019690222611664 -0.201214987710803 0.057182762407173 average/maximum/minimum number of neighbor atoms per intpo is 117.683199999999999 135 and 45 average/maximum/minimum host electron density per intpo is 0.939358463602675 1.010285060731941 and 0.414704670409503 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834311220670009 0.000000000000000 and -4.459306065202192 ave velocity (Angstrom/ps) is 0.021423499912148 0.007234564957268 0.000274810842299 total force (eV/Angstrom) is 23.657301964701055 -3.200441774044306 63.064862456771564 average/maximum/minimum number of neighbor atoms per atom is 124.016637036643942 136 and 45 average/maximum/minimum host electron density per atom is 0.966733498728794 1.029534226784651 and 0.405583394718316 in total total force (eV/Angstrom) is 23.637611742089391 -3.401656761755109 63.122045219178737 ave velocity (Angstrom/ps) is 0.021390072033274 0.007097496953670 0.000274768389348 ave kinetic energy (eV) is 0.000928976211067 global force vector length (eV/Angstrom) is 37.502963082862834 maximum force (eV/Angstrom) is 2.333864081553087 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.117288961038959 179 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.577089859338983 to 129.158127040040284 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.455917765930693 64.093242487166179 0.469743676553372 dynamics using ld at timestep 3210 dynamics using ld at timestep 3220 dynamics using ld at timestep 3230 dynamics using ld at timestep 3240 dynamics using ld at timestep 3250 dynamics using ld at timestep 3260 dynamics using ld at timestep 3270 dynamics using ld at timestep 3280 dynamics using ld at timestep 3290 dynamics using ld at timestep 3300 dynamics using ld at timestep 3310 dynamics using ld at timestep 3320 dynamics using ld at timestep 3330 dynamics using ld at timestep 3340 dynamics using ld at timestep 3350 dynamics using ld at timestep 3360 dynamics using ld at timestep 3370 dynamics using ld at timestep 3380 dynamics using ld at timestep 3390 dynamics using ld at timestep 3400 Update neighbor list at 3400 timestep and time 3400 6.799999999999473 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112301119732360 0.000000000000000 and -4.449283932920892 ave velocity (Angstrom/ps) is 0.002102284271768 -0.089341505642539 -0.000350174753661 total force (eV/Angstrom) is 0.220777783904717 -0.091093710297876 -0.085291714617979 average/maximum/minimum number of neighbor atoms per intpo is 117.724800000000002 135 and 45 average/maximum/minimum host electron density per intpo is 0.939661442853443 1.008483851349763 and 0.414397567016128 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834245673433001 0.000000000000000 and -4.459821012861404 ave velocity (Angstrom/ps) is 0.033013256598010 -0.028647324591746 0.000305180559016 total force (eV/Angstrom) is 7.187100474966057 -13.557653344220947 70.034245438677303 average/maximum/minimum number of neighbor atoms per atom is 123.997903786451559 136 and 45 average/maximum/minimum host electron density per atom is 0.966710549673681 1.030200341659003 and 0.405226502119062 in total total force (eV/Angstrom) is 7.407878258870773 -13.648747054518823 69.948953724059322 ave velocity (Angstrom/ps) is 0.032980483282002 -0.028711675513951 0.000304485719444 ave kinetic energy (eV) is 0.000941599007877 global force vector length (eV/Angstrom) is 37.692447454048391 maximum force (eV/Angstrom) is 2.379684483498169 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.122970779220779 177 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.611795422690266 to 129.224772275753253 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.438535199900763 64.079098125103471 0.469743676553373 dynamics using ld at timestep 3410 dynamics using ld at timestep 3420 dynamics using ld at timestep 3430 dynamics using ld at timestep 3440 dynamics using ld at timestep 3450 dynamics using ld at timestep 3460 dynamics using ld at timestep 3470 dynamics using ld at timestep 3480 dynamics using ld at timestep 3490 dynamics using ld at timestep 3500 dynamics using ld at timestep 3510 dynamics using ld at timestep 3520 dynamics using ld at timestep 3530 dynamics using ld at timestep 3540 dynamics using ld at timestep 3550 dynamics using ld at timestep 3560 dynamics using ld at timestep 3570 dynamics using ld at timestep 3580 dynamics using ld at timestep 3590 dynamics using ld at timestep 3600 Update neighbor list at 3600 timestep and time 3600 7.199999999999429 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112172825081262 0.000000000000000 and -4.449271434550840 ave velocity (Angstrom/ps) is 0.033895705454976 -0.032433866254443 -0.000296949097516 total force (eV/Angstrom) is 0.009963801468421 -0.063680505229005 -0.072327594769854 average/maximum/minimum number of neighbor atoms per intpo is 117.686400000000006 135 and 45 average/maximum/minimum host electron density per intpo is 0.939632564083428 1.007532905733843 and 0.414227916770509 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834160413015634 0.000000000000000 and -4.458286923073075 ave velocity (Angstrom/ps) is 0.011585391826800 -0.008682918107345 0.000253550651278 total force (eV/Angstrom) is 0.814827396342400 15.626917223338269 58.185975541857331 average/maximum/minimum number of neighbor atoms per atom is 123.987051237827373 136 and 45 average/maximum/minimum host electron density per atom is 0.966801246632441 1.026235186471963 and 0.405225307077996 in total total force (eV/Angstrom) is 0.824791197810821 15.563236718109264 58.113647947087479 ave velocity (Angstrom/ps) is 0.011609046306221 -0.008708100017539 0.000252966984674 ave kinetic energy (eV) is 0.000902699154446 global force vector length (eV/Angstrom) is 37.787048431968252 maximum force (eV/Angstrom) is 2.277514197144846 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.170860389610390 179 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.651393480320170 to 129.286525017187586 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.445125201402746 64.083990619382092 0.469743676553374 dynamics using ld at timestep 3610 dynamics using ld at timestep 3620 dynamics using ld at timestep 3630 dynamics using ld at timestep 3640 dynamics using ld at timestep 3650 dynamics using ld at timestep 3660 dynamics using ld at timestep 3670 dynamics using ld at timestep 3680 dynamics using ld at timestep 3690 dynamics using ld at timestep 3700 dynamics using ld at timestep 3710 dynamics using ld at timestep 3720 dynamics using ld at timestep 3730 dynamics using ld at timestep 3740 dynamics using ld at timestep 3750 dynamics using ld at timestep 3760 dynamics using ld at timestep 3770 dynamics using ld at timestep 3780 dynamics using ld at timestep 3790 dynamics using ld at timestep 3800 Update neighbor list at 3800 timestep and time 3800 7.599999999999385 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112559055952078 0.000000000000000 and -4.449254512873218 ave velocity (Angstrom/ps) is -0.025884953418128 -0.097296013336069 0.000570520277042 total force (eV/Angstrom) is 0.089235126145260 0.065885797066012 0.138961053429679 average/maximum/minimum number of neighbor atoms per intpo is 117.656000000000006 135 and 45 average/maximum/minimum host electron density per intpo is 0.940091609939371 1.009682113319498 and 0.414607055047019 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834017140534168 0.000000000000000 and -4.458868053224071 ave velocity (Angstrom/ps) is -0.004610954085401 0.010473459705015 0.000212910482630 total force (eV/Angstrom) is -31.727253253542170 -4.126754336277228 48.859681773512818 average/maximum/minimum number of neighbor atoms per atom is 123.951203332714201 136 and 45 average/maximum/minimum host electron density per atom is 0.966504065024396 1.027070017246533 and 0.404820971158751 in total total force (eV/Angstrom) is -31.638018127396911 -4.060868539211216 48.998642826942501 ave velocity (Angstrom/ps) is -0.004633509814012 0.010359197269050 0.000213289637924 ave kinetic energy (eV) is 0.000937688500656 global force vector length (eV/Angstrom) is 38.061786967141671 maximum force (eV/Angstrom) is 2.220389694407920 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.184659090909093 180 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.698172998581375 to 129.341096297990617 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.432845056229738 64.091172080013393 0.469743676553373 dynamics using ld at timestep 3810 dynamics using ld at timestep 3820 dynamics using ld at timestep 3830 dynamics using ld at timestep 3840 dynamics using ld at timestep 3850 dynamics using ld at timestep 3860 dynamics using ld at timestep 3870 dynamics using ld at timestep 3880 dynamics using ld at timestep 3890 dynamics using ld at timestep 3900 dynamics using ld at timestep 3910 dynamics using ld at timestep 3920 dynamics using ld at timestep 3930 dynamics using ld at timestep 3940 dynamics using ld at timestep 3950 dynamics using ld at timestep 3960 dynamics using ld at timestep 3970 dynamics using ld at timestep 3980 dynamics using ld at timestep 3990 dynamics using ld at timestep 4000 Update neighbor list at 4000 timestep and time 4000 7.999999999999341 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112855079229519 0.000000000000000 and -4.449736626263647 ave velocity (Angstrom/ps) is -0.005123167972609 -0.004504543913030 -0.000603082527928 total force (eV/Angstrom) is 0.026495318338657 -0.268565349867361 -0.146892208319943 average/maximum/minimum number of neighbor atoms per intpo is 117.681600000000003 135 and 45 average/maximum/minimum host electron density per intpo is 0.940530202783799 1.010554590402446 and 0.414764278794164 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834006823550243 0.000000000000000 and -4.459078138735814 ave velocity (Angstrom/ps) is -0.028497226894987 0.016723903356645 0.000158838241382 total force (eV/Angstrom) is -25.509147836029594 33.522724162614864 36.450933892611843 average/maximum/minimum number of neighbor atoms per atom is 123.906784832966281 136 and 45 average/maximum/minimum host electron density per atom is 0.966411069379189 1.029389355801857 and 0.404861397041977 in total total force (eV/Angstrom) is -25.482652517690937 33.254158812747505 36.304041684291903 ave velocity (Angstrom/ps) is -0.028472444581077 0.016701395924546 0.000158030415931 ave kinetic energy (eV) is 0.001036540932022 global force vector length (eV/Angstrom) is 38.277786479590020 maximum force (eV/Angstrom) is 2.302258974165944 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.135551948051948 181 and 18 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.748132759633016 to 129.392487336003228 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.434280330420194 64.094352322803829 0.469743676553373 dynamics using ld at timestep 4010 dynamics using ld at timestep 4020 dynamics using ld at timestep 4030 dynamics using ld at timestep 4040 dynamics using ld at timestep 4050 dynamics using ld at timestep 4060 dynamics using ld at timestep 4070 dynamics using ld at timestep 4080 dynamics using ld at timestep 4090 dynamics using ld at timestep 4100 dynamics using ld at timestep 4110 dynamics using ld at timestep 4120 dynamics using ld at timestep 4130 dynamics using ld at timestep 4140 dynamics using ld at timestep 4150 dynamics using ld at timestep 4160 dynamics using ld at timestep 4170 dynamics using ld at timestep 4180 dynamics using ld at timestep 4190 dynamics using ld at timestep 4200 Update neighbor list at 4200 timestep and time 4200 8.399999999999475 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112941464717427 0.000000000000000 and -4.449807800281955 ave velocity (Angstrom/ps) is -0.012186724918452 0.018859749425534 -0.001049146767681 total force (eV/Angstrom) is 0.381201861412446 0.050899579556228 -0.255539629187680 average/maximum/minimum number of neighbor atoms per intpo is 117.716800000000006 135 and 45 average/maximum/minimum host electron density per intpo is 0.940299207053331 1.009788572476190 and 0.415235437746049 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834191069714969 0.000000000000000 and -4.459558279034045 ave velocity (Angstrom/ps) is -0.027140816617324 0.036682555359390 0.000251622831167 total force (eV/Angstrom) is -4.789458854245294 26.442520515918034 57.743570471027411 average/maximum/minimum number of neighbor atoms per atom is 123.872449385729823 136 and 45 average/maximum/minimum host electron density per atom is 0.966136616769790 1.027610982375529 and 0.404679431040437 in total total force (eV/Angstrom) is -4.408256992832848 26.493420095474260 57.488030841839731 ave velocity (Angstrom/ps) is -0.027124961562112 0.036663658753846 0.000250243691984 ave kinetic energy (eV) is 0.001127583045508 global force vector length (eV/Angstrom) is 38.372828589951212 maximum force (eV/Angstrom) is 2.382811135820758 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.053571428571431 183 and 15 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.806603059585251 to 129.435367835115244 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.431956009421988 64.102862861704423 0.469743676553371 dynamics using ld at timestep 4210 dynamics using ld at timestep 4220 dynamics using ld at timestep 4230 dynamics using ld at timestep 4240 dynamics using ld at timestep 4250 dynamics using ld at timestep 4260 dynamics using ld at timestep 4270 dynamics using ld at timestep 4280 dynamics using ld at timestep 4290 dynamics using ld at timestep 4300 dynamics using ld at timestep 4310 dynamics using ld at timestep 4320 dynamics using ld at timestep 4330 dynamics using ld at timestep 4340 dynamics using ld at timestep 4350 dynamics using ld at timestep 4360 dynamics using ld at timestep 4370 dynamics using ld at timestep 4380 dynamics using ld at timestep 4390 dynamics using ld at timestep 4400 Update neighbor list at 4400 timestep and time 4400 8.799999999999608 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.113007922075102 0.000000000000000 and -4.449596919896420 ave velocity (Angstrom/ps) is -0.018695906405197 0.001035795655907 0.000702346575836 total force (eV/Angstrom) is 0.009517430368286 0.220865072147624 0.171069853217197 average/maximum/minimum number of neighbor atoms per intpo is 117.774400000000000 135 and 45 average/maximum/minimum host electron density per intpo is 0.940578177538747 1.006413910173417 and 0.415545253122783 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834514530439700 0.000000000000000 and -4.458456136550092 ave velocity (Angstrom/ps) is -0.020586412515749 0.061715292208416 0.000274152716611 total force (eV/Angstrom) is 18.817283931196997 16.921575746276734 62.913832731379621 average/maximum/minimum number of neighbor atoms per atom is 123.871600286570967 136 and 45 average/maximum/minimum host electron density per atom is 0.965692994050119 1.026781389347954 and 0.404494997470305 in total total force (eV/Angstrom) is 18.826801361565284 17.142440818424358 63.084902584596819 ave velocity (Angstrom/ps) is -0.020584408109238 0.061650956855430 0.000274606708562 ave kinetic energy (eV) is 0.001183255257593 global force vector length (eV/Angstrom) is 38.370705155408523 maximum force (eV/Angstrom) is 2.366624258001615 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 43.020292207792210 188 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.874370733471519 to 129.499746375901793 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.435833558075259 64.112160235638456 0.469743676553371 dynamics using ld at timestep 4410 dynamics using ld at timestep 4420 dynamics using ld at timestep 4430 dynamics using ld at timestep 4440 dynamics using ld at timestep 4450 dynamics using ld at timestep 4460 dynamics using ld at timestep 4470 dynamics using ld at timestep 4480 dynamics using ld at timestep 4490 dynamics using ld at timestep 4500 dynamics using ld at timestep 4510 dynamics using ld at timestep 4520 dynamics using ld at timestep 4530 dynamics using ld at timestep 4540 dynamics using ld at timestep 4550 dynamics using ld at timestep 4560 dynamics using ld at timestep 4570 dynamics using ld at timestep 4580 dynamics using ld at timestep 4590 dynamics using ld at timestep 4600 Update neighbor list at 4600 timestep and time 4600 9.199999999999742 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.113012967735677 0.000000000000000 and -4.449864519955877 ave velocity (Angstrom/ps) is -0.012268403702080 0.021588914893384 0.000486792076136 total force (eV/Angstrom) is 0.137428879107499 0.250543573562695 0.118567459252969 average/maximum/minimum number of neighbor atoms per intpo is 117.782399999999996 134 and 45 average/maximum/minimum host electron density per intpo is 0.940574965525346 1.008257117840340 and 0.415422741720523 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834543171592150 0.000000000000000 and -4.458008022986188 ave velocity (Angstrom/ps) is -0.010180312802420 0.044805827191844 0.000030878388233 total force (eV/Angstrom) is 5.471730315514466 -33.743910480316742 7.086115272993526 average/maximum/minimum number of neighbor atoms per atom is 123.865497386366656 136 and 45 average/maximum/minimum host electron density per atom is 0.965446328118377 1.028241347664365 and 0.404308614391548 in total total force (eV/Angstrom) is 5.609159194621966 -33.493366906754048 7.204682732246495 ave velocity (Angstrom/ps) is -0.010182526697933 0.044781211492426 0.000031361770095 ave kinetic energy (eV) is 0.001041374243300 global force vector length (eV/Angstrom) is 38.184336505048314 maximum force (eV/Angstrom) is 2.197168853001294 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.956168831168831 184 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -1.943850398324654 to 129.671107283029812 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.440809238258360 64.113872226605324 0.469743676553373 dynamics using ld at timestep 4610 dynamics using ld at timestep 4620 dynamics using ld at timestep 4630 dynamics using ld at timestep 4640 dynamics using ld at timestep 4650 dynamics using ld at timestep 4660 dynamics using ld at timestep 4670 dynamics using ld at timestep 4680 dynamics using ld at timestep 4690 dynamics using ld at timestep 4700 dynamics using ld at timestep 4710 dynamics using ld at timestep 4720 dynamics using ld at timestep 4730 dynamics using ld at timestep 4740 dynamics using ld at timestep 4750 dynamics using ld at timestep 4760 dynamics using ld at timestep 4770 dynamics using ld at timestep 4780 dynamics using ld at timestep 4790 dynamics using ld at timestep 4800 Update neighbor list at 4800 timestep and time 4800 9.599999999999875 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112920546140604 0.000000000000000 and -4.449627198553356 ave velocity (Angstrom/ps) is -0.015925735721782 0.013500303030819 0.000647262701831 total force (eV/Angstrom) is -0.078676189303430 -0.286212585623556 0.157653129102830 average/maximum/minimum number of neighbor atoms per intpo is 117.798400000000001 135 and 45 average/maximum/minimum host electron density per intpo is 0.940465120624275 1.008000565948208 and 0.415520555250311 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834651387657546 0.000000000000000 and -4.459357968400465 ave velocity (Angstrom/ps) is 0.009885893308608 -0.014707291923160 0.000145382603847 total force (eV/Angstrom) is -0.649164199636980 -17.873851917712166 33.363071989788203 average/maximum/minimum number of neighbor atoms per atom is 123.893278849470633 136 and 45 average/maximum/minimum host electron density per atom is 0.965486057150671 1.029551607556656 and 0.401229543561973 in total total force (eV/Angstrom) is -0.727840388940409 -18.160064503335722 33.520725118891036 ave velocity (Angstrom/ps) is 0.009858526564335 -0.014677384859303 0.000145914721532 ave kinetic energy (eV) is 0.001033712828466 global force vector length (eV/Angstrom) is 37.976085935748813 maximum force (eV/Angstrom) is 2.278721656119022 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.924107142857146 178 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -2.000495933108382 to 129.671107283029812 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.438934483751396 64.101038096535916 0.469743676553373 dynamics using ld at timestep 4810 dynamics using ld at timestep 4820 dynamics using ld at timestep 4830 dynamics using ld at timestep 4840 dynamics using ld at timestep 4850 dynamics using ld at timestep 4860 dynamics using ld at timestep 4870 dynamics using ld at timestep 4880 dynamics using ld at timestep 4890 dynamics using ld at timestep 4900 dynamics using ld at timestep 4910 dynamics using ld at timestep 4920 dynamics using ld at timestep 4930 dynamics using ld at timestep 4940 dynamics using ld at timestep 4950 dynamics using ld at timestep 4960 dynamics using ld at timestep 4970 dynamics using ld at timestep 4980 dynamics using ld at timestep 4990 dynamics using ld at timestep 5000 timestep and time 5000 10.000000000000009 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112857400249130 0.000000000000000 and -4.449458436963514 ave velocity (Angstrom/ps) is 0.014556497441001 -0.003142201578623 0.000399912701934 total force (eV/Angstrom) is 0.050724596545259 -0.071295026032678 0.097406336946971 average/maximum/minimum number of neighbor atoms per intpo is 117.798400000000001 135 and 45 average/maximum/minimum host electron density per intpo is 0.940593018876573 1.008118208326761 and 0.415336125787881 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834594504572796 0.000000000000000 and -4.459156013928316 ave velocity (Angstrom/ps) is 0.027773708565698 -0.022185409839273 0.000033922130779 total force (eV/Angstrom) is 0.669832773573966 -5.067154581015990 7.784607382833254 average/maximum/minimum number of neighbor atoms per atom is 123.893278849470633 136 and 45 average/maximum/minimum host electron density per atom is 0.965521642797523 1.029247702499276 and 0.403940777548766 in total total force (eV/Angstrom) is 0.720557370119224 -5.138449607048669 7.882013719780225 ave velocity (Angstrom/ps) is 0.027759695035733 -0.022165219303836 0.000034310171780 ave kinetic energy (eV) is 0.000922947415735 global force vector length (eV/Angstrom) is 37.876941551324641 maximum force (eV/Angstrom) is 2.298352797452610 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.924107142857146 178 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -2.000495933108382 to 129.671107283029812 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.447754340649226 64.088591243887763 0.469743676553374 dynamics using ld at timestep 5010 dynamics using ld at timestep 5020 dynamics using ld at timestep 5030 dynamics using ld at timestep 5040 dynamics using ld at timestep 5050 dynamics using ld at timestep 5060 dynamics using ld at timestep 5070 dynamics using ld at timestep 5080 dynamics using ld at timestep 5090 dynamics using ld at timestep 5100 dynamics using ld at timestep 5110 dynamics using ld at timestep 5120 dynamics using ld at timestep 5130 dynamics using ld at timestep 5140 dynamics using ld at timestep 5150 dynamics using ld at timestep 5160 dynamics using ld at timestep 5170 dynamics using ld at timestep 5180 dynamics using ld at timestep 5190 dynamics using ld at timestep 5200 timestep and time 5200 10.400000000000142 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112790977620718 0.000000000000000 and -4.449390559308729 ave velocity (Angstrom/ps) is 0.034750384930067 -0.034559764279806 0.000036152522269 total force (eV/Angstrom) is 0.102737210195890 0.054912350227404 0.008805633701007 average/maximum/minimum number of neighbor atoms per intpo is 117.798400000000001 135 and 45 average/maximum/minimum host electron density per intpo is 0.940886102795394 1.007860808458948 and 0.415843602000687 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834482087980503 0.000000000000000 and -4.458405663119589 ave velocity (Angstrom/ps) is 0.023899178966426 -0.019502983362433 0.000014249856580 total force (eV/Angstrom) is 0.462498346707333 3.950119551501596 3.270122960611754 average/maximum/minimum number of neighbor atoms per atom is 123.893278849470633 136 and 45 average/maximum/minimum host electron density per atom is 0.965397179080180 1.028464751891926 and 0.403752615441427 in total total force (eV/Angstrom) is 0.565235556903222 4.005031901729000 3.278928594312762 ave velocity (Angstrom/ps) is 0.023910683942664 -0.019518947293747 0.000014273078851 ave kinetic energy (eV) is 0.000880690402253 global force vector length (eV/Angstrom) is 37.457299903694299 maximum force (eV/Angstrom) is 2.189289797615608 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.924107142857146 178 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -2.000495933108382 to 129.671107283029812 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.451660604891330 64.086431428276555 0.469743676553372 dynamics using ld at timestep 5210 dynamics using ld at timestep 5220 dynamics using ld at timestep 5230 dynamics using ld at timestep 5240 dynamics using ld at timestep 5250 dynamics using ld at timestep 5260 dynamics using ld at timestep 5270 dynamics using ld at timestep 5280 dynamics using ld at timestep 5290 dynamics using ld at timestep 5300 dynamics using ld at timestep 5310 dynamics using ld at timestep 5320 dynamics using ld at timestep 5330 dynamics using ld at timestep 5340 dynamics using ld at timestep 5350 dynamics using ld at timestep 5360 dynamics using ld at timestep 5370 dynamics using ld at timestep 5380 dynamics using ld at timestep 5390 dynamics using ld at timestep 5400 timestep and time 5400 10.800000000000276 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -2.112735880733526 0.000000000000000 and -4.449553414919482 ave velocity (Angstrom/ps) is -0.003106741611168 0.008876461023250 0.000089757328572 total force (eV/Angstrom) is 0.068459937208893 -0.235462564050797 0.021862102774230 average/maximum/minimum number of neighbor atoms per intpo is 117.798400000000001 135 and 45 average/maximum/minimum host electron density per intpo is 0.940660816171939 1.007810340414746 and 0.415807904824619 in the atomistic domain average/maximum/minimum energy (eV) per atom is -3.834345699050709 0.000000000000000 and -4.458361173237997 ave velocity (Angstrom/ps) is 0.011383758441749 -0.018270740235317 0.000054610844388 total force (eV/Angstrom) is -8.683989455246575 6.711646973379270 12.532349019255768 average/maximum/minimum number of neighbor atoms per atom is 123.893278849470633 136 and 45 average/maximum/minimum host electron density per atom is 0.965570242026510 1.028472136122159 and 0.403563601695322 in total total force (eV/Angstrom) is -8.615529518037683 6.476184409328472 12.554211122029999 ave velocity (Angstrom/ps) is 0.011368394908944 -0.018241957452421 0.000054648108400 ave kinetic energy (eV) is 0.000839050544331 global force vector length (eV/Angstrom) is 37.551719732914393 maximum force (eV/Angstrom) is 2.265610576620136 average/maximum/minimum number of neighbor cells per cell is 22.214285714285715 27 and 14 average/maximum/minimum number of atomps per cell is 42.924107142857146 178 and 13 box boundaries/lengths are (Angstrom) x from -0.359258495608202 to 77.240567314346990 length is 77.599825809955192 y from -2.000495933108382 to 129.671107283029812 length is 129.584823994823012 z from -25.042754744978009 to 25.919686176571641 length is 50.962440921549650 center of mass (Angstrom) is at 38.447539213084411 64.087124218010473 0.469743676553372 dynamics using ld at timestep 5410 dynamics using ld at timestep 5420 dynamics using ld at timestep 5430 dynamics using ld at timestep 5440 dynamics using ld at timestep 5450 dynamics using ld at timestep 5460 dynamics using ld at timestep 5470 dynamics using ld at timestep 5480 dynamics using ld at timestep 5490 dynamics using ld at timestep 5500 Elapsed time (in h) Total time (%) 0.767802184348305 Interaction time (%) 0.912666215726899( 118.867363799121179) Neighbor time (%) 0.004576540204386( 0.596057200367356) Communication time (%) 0.228474361159735( 29.756930341850961) Input/Output time (%) 0.029123030246960( 3.793038212268025) Other time (%) -0.407037962989675( -53.013389553607517)