Concurrent Atomistic-Continuum (CAC) Simulator PI: Prof. David L. McDowell (Georgia Tech) Contact: david.mcdowell@me.gatech.edu Version: 1.0 There are 298 elements 2384 nodes 160784 atoms, and 36704 cells The system contains 1 grains The lattice space of grain 1 is x 4.960216729135936 y 2.863782463805506 z 7.014805770653949 The unit length of grain 1 is x 3.306811152757290 y 5.727564927611035 z 2.338268590217984 The boundaries of grain 1 prior to modification are (Angstrom) x from -40.095085227182139 to 389.790364631265561 length is 429.885449858447714 y from -0.715945615951370 to 520.492462796652831 length is 521.208408412604172 z from -29.228357377724798 to 31.566625967942770 length is 60.794983345667568 The boundary conditions are s in the x direction s in the y direction s in the z direction The box boundaries/lengths are (Angstrom) x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from -28.059223201825127 to 30.397491792043112 length is 58.456714993868239 The lattice_space_max are x 4.960216729135936 y 2.863782463805506 z 7.014805770653949 The box contains number of lattice_space_max x 86.500000048066156 y 181.500000083253781 z 8.333333367321254 In coarse-grained domain, there are 298 elements with 2384 and nodes There are 1 element types The 1 type contains 2197 atoms per element In atomistic domain, there are 160784 atoms There are 654706 atomaps in mapping configuration The unit cell volume is 16.607531249999997 Angstrom^3 The lattice name is Al , the type is fcc , and the lattice parameter is 4.050000000000000 Angstrom The atomic mass is 26.981500000000000 g/mol The potential type is eam The cutoff radius are 6.286581279000000 and 7.286581279000000 Angstrom There are 3 modify The 1 modify style is delete The 1 modify shape is cylinder Group/Modify 1 is inside the bound Group/Modify 1 is bounded along 3 direction from -29.228357377724798 to 31.566625967942770 its centroid axis is at 140.164084970231613, 199.748826850434085, and -22.213551607070848 its radius is 14.029611541307897 The 2 modify style is delete The 2 modify shape is cylinder Group/Modify 2 is inside the bound Group/Modify 2 is bounded along 3 direction from -29.228357377724798 to 31.566625967942770 its centroid axis is at 197.206577355294883, 199.748826850434085, and -22.213551607070848 its radius is 14.029611541307897 The 3 modify style is cg2at The 3 modify shape is block Group/Modify 3 is inside the bound Group/Modify 3 has boundary/length x from 125.283434782823818 to 214.567335907270660 length is 89.283901124446842 y from 191.157479459017566 to 208.340174241850605 length is 17.182694782833039 z from -29.228357377724798 to 31.566625967942770 length is 60.794983345667568 The output is done every 500 step The reduce is done every 500 step The restart is done every 1000 step The given temperature is 10.000000000000000 k There are 8 groups: Group 1 has 155 elements 1240 nodes and 67301 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 -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from -28.059223201825127 to 2.104441611986850 length is 30.163664813811977 Group 2 has 73 elements 584 nodes and 37180 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 -47.544731526606668 to 153.344046003398773 length is 200.888777530005427 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from 2.104441611986850 to 30.397491792043112 length is 28.293050180056262 Group 3 has 3 elements 24 nodes and 4901 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 153.344046003398773 to 184.097389724041591 length is 30.753343720642818 y from -0.000000119209304 to 194.737207419565124 length is 194.737207538774442 z from 2.104441611986850 to 30.397491792043112 length is 28.293050180056262 Group 4 has 61 elements 488 nodes and 45318 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 184.097389724041591 to 376.461522832393314 length is 192.364133108351723 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from 2.104441611986850 to 30.397491792043112 length is 28.293050180056262 Group 5 has 48 elements 294 nodes and 32994 atoms Group 5 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 5 is inside the bound Group/Modify 5 has boundary/length x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from 372.291720175506555 to 519.776517299910893 length is 147.484797124404338 z from 2.104441611986850 to 30.397491792043112 length is 28.293050180056262 Group 6 has 0 elements 0 nodes and 14529 atoms Group 6 has shape block and style null in coarse-grained and atom in atomistic domain, respectively Group/Modify 6 is inside the bound Group/Modify 6 has boundary/length x from 126.062853993151109 to 215.346755117597979 length is 89.283901124446871 y from 166.099382781510059 to 223.375032057620189 length is 57.275649276110130 z from -28.059223201825127 to 30.397491792043112 length is 58.456714993868239 Group 7 has 155 elements 620 nodes and 10396 atoms Group 7 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 7 is inside the bound Group/Modify 7 has boundary/length x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from -28.059223201825127 to -24.551820316498151 length is 3.507402885326975 Group 8 has 143 elements 572 nodes and 7135 atoms Group 8 has shape block and style node in coarse-grained and atom in atomistic domain, respectively Group/Modify 8 is inside the bound Group/Modify 8 has boundary/length x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from 28.760703540471852 to 30.397491792043112 length is 1.636788251571261 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 0.008000000000000 0.000000000000000 Angstrom Group 4 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 5 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 6 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 7 is assigned displacement 0.000000000000000 0.000000000000000 0.000000000000000 Angstrom Group 8 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 -0.036295869012194 0.000000000000000 and -3.359676721154630 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is 0.000000000001442 0.000000000001930 -0.035555497060078 average/maximum/minimum number of neighbor atoms per intpo is 76.361664429530208 86 and 26 average/maximum/minimum host electron density per intpo is 0.943275281050186 1.000007124893916 and 0.410371697443552 in the atomistic domain average/maximum/minimum energy (eV) per atom is -0.042968880562482 0.000000000000000 and -3.359999988187466 ave velocity (Angstrom/ps) is 0.000000000000000 0.000000000000000 0.000000000000000 total force (eV/Angstrom) is 0.047925705160081 -1.514929308886044 0.091134187130193 average/maximum/minimum number of neighbor atoms per atom is 77.363680465717977 86 and 16 average/maximum/minimum host electron density per atom is 0.944273947975873 1.000007124893913 and 0.241414929878525 in total total force (eV/Angstrom) is 0.047925705161523 -1.514929308884114 0.055578690070115 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 1.067836130353209 maximum force (eV/Angstrom) is 0.130911484243699 average/maximum/minimum number of neighbor cells per cell is 24.708587619877942 27 and 14 average/maximum/minimum number of atomps per cell is 26.570401046207497 110 and 0 box boundaries/lengths are (Angstrom) x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from -28.059223201825127 to 30.397491792043112 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851045 260.241221034463138 1.166785962235043 quasi-statics using cg at timestep 1 dynamics using ld at timestep 100 dynamics using ld at timestep 200 Update neighbor list at 200 quasi-statics using cg at timestep 200 dynamics using ld at timestep 300 dynamics using ld at timestep 400 Update neighbor list at 400 quasi-statics using cg at timestep 400 dynamics using ld at timestep 500 timestep and time 500 1.000000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -0.016909426451293 0.000000000000000 and -3.359662002169358 ave velocity (Angstrom/ps) is 0.000779883323202 -0.000181077765535 -0.000021757254917 total force (eV/Angstrom) is 0.194861456697971 0.018990607494269 -0.145339224696949 average/maximum/minimum number of neighbor atoms per intpo is 76.359382550335567 89 and 22 average/maximum/minimum host electron density per intpo is 0.943244799374771 1.025534417930778 and 0.254640090106711 in the atomistic domain average/maximum/minimum energy (eV) per atom is -0.040471188728310 0.000000000000000 and -3.375818887726455 ave velocity (Angstrom/ps) is 0.000465335728955 0.025281677671056 0.000017702358246 total force (eV/Angstrom) is -6.382883528568627 10.886330285435577 7.975289233100613 average/maximum/minimum number of neighbor atoms per atom is 77.505292815205493 110 and 16 average/maximum/minimum host electron density per atom is 0.944762838864844 1.069941454255380 and 0.241416183803041 in total total force (eV/Angstrom) is -6.188022071870655 10.905320892929845 7.829950008403664 ave velocity (Angstrom/ps) is 0.000469931492000 0.024909648786956 0.000017125825361 ave kinetic energy (eV) is 0.000115203837270 global force vector length (eV/Angstrom) is 9.397514837262342 maximum force (eV/Angstrom) is 0.789182434255963 average/maximum/minimum number of neighbor cells per cell is 24.708587619877942 27 and 14 average/maximum/minimum number of atomps per cell is 26.561164995640802 110 and 0 box boundaries/lengths are (Angstrom) x from -39.681733952296788 to 389.377013356380303 length is 429.058747308677084 y from -0.000000119209304 to 519.776517299910893 length is 519.776517419120182 z from -28.059223201825127 to 30.669771750978480 length is 58.456714993868239 center of mass (Angstrom) is at 174.803862186330292 260.241218223426472 1.166782099211642 dynamics using ld at timestep 600 Update neighbor list at 600 quasi-statics using cg at timestep 600 dynamics using ld at timestep 700 dynamics using ld at timestep 800 Update neighbor list at 800 quasi-statics using cg at timestep 800 dynamics using ld at timestep 900 dynamics using ld at timestep 1000 Update neighbor list at 1000 quasi-statics using cg at timestep 1000 timestep and time 1000 2.000000000000001 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.679308451628636 0.000000000000000 and -3.359803037486190 ave velocity (Angstrom/ps) is -0.000405489903263 0.001532406845314 -0.000166317837587 total force (eV/Angstrom) is -0.017819521299608 0.076569301767115 0.000084849589874 average/maximum/minimum number of neighbor atoms per intpo is 76.363033557046975 90 and 22 average/maximum/minimum host electron density per intpo is 0.942728419860494 1.030039239618356 and 0.256583323046465 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.682681986823009 0.000000000000000 and -3.380373856813845 ave velocity (Angstrom/ps) is 0.012125553262128 0.004905331125008 -0.000313794537002 total force (eV/Angstrom) is -7.078781166857401 -32.712461384139374 -137.355210359818273 average/maximum/minimum number of neighbor atoms per atom is 77.444192208179913 101 and 16 average/maximum/minimum host electron density per atom is 0.944903557412794 1.056575320085329 and 0.241854026267757 in total total force (eV/Angstrom) is -7.096600688157009 -32.635892082372258 -137.355125510228390 ave velocity (Angstrom/ps) is 0.011942465849729 0.004856050313312 -0.000311639798013 ave kinetic energy (eV) is 0.000746675670798 global force vector length (eV/Angstrom) is 55.799764218881052 maximum force (eV/Angstrom) is 0.479455426912529 average/maximum/minimum number of neighbor cells per cell is 24.708587619877942 27 and 14 average/maximum/minimum number of atomps per cell is 26.596883173496078 110 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.488680418390629 length is 429.058747308677084 y from -0.632220807353770 to 520.315769175452942 length is 519.776517419120182 z from -28.059223201825127 to 30.814642951309217 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851670 260.241221034463251 1.166785962235043 dynamics using ld at timestep 1100 dynamics using ld at timestep 1200 quasi-statics using cg at timestep 1200 dynamics using ld at timestep 1300 dynamics using ld at timestep 1400 Update neighbor list at 1400 quasi-statics using cg at timestep 1400 dynamics using ld at timestep 1500 timestep and time 1500 2.999999999999891 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.678385459604742 0.000000000000000 and -3.358154507125657 ave velocity (Angstrom/ps) is -0.005901344036688 -0.001896357048371 0.000131824416275 total force (eV/Angstrom) is -0.563873010868808 -1.958883251874098 0.880591716674705 average/maximum/minimum number of neighbor atoms per intpo is 76.368644295302019 95 and 22 average/maximum/minimum host electron density per intpo is 0.942337313573162 1.033162938687350 and 0.258760690434781 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.681141694196701 0.000000000000000 and -3.375792565044585 ave velocity (Angstrom/ps) is 0.009183140550305 0.001724823485394 -0.000221271042791 total force (eV/Angstrom) is 24.496016324347266 34.005398482984106 -99.687315140650767 average/maximum/minimum number of neighbor atoms per atom is 77.454560155239321 102 and 16 average/maximum/minimum host electron density per atom is 0.944507348423086 1.050646814252035 and 0.240157697152689 in total total force (eV/Angstrom) is 23.932143313478459 32.046515231110007 -98.806723423976067 ave velocity (Angstrom/ps) is 0.008962745550946 0.001671915474066 -0.000216112068149 ave kinetic energy (eV) is 0.000844608521975 global force vector length (eV/Angstrom) is 57.150651736247887 maximum force (eV/Angstrom) is 0.521866481262399 average/maximum/minimum number of neighbor cells per cell is 24.708587619877942 27 and 14 average/maximum/minimum number of atomps per cell is 26.603994115082823 110 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.512398223964851 length is 429.058747308677084 y from -1.100746472109398 to 520.782550946770698 length is 519.776517419120182 z from -28.059223201825127 to 30.814642951309217 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851187 260.241221034463081 1.166785962235043 dynamics using ld at timestep 1600 Update neighbor list at 1600 quasi-statics using cg at timestep 1600 dynamics using ld at timestep 1700 dynamics using ld at timestep 1800 Update neighbor list at 1800 quasi-statics using cg at timestep 1800 dynamics using ld at timestep 1900 dynamics using ld at timestep 2000 Update neighbor list at 2000 quasi-statics using cg at timestep 2000 timestep and time 2000 3.999999999999781 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.676893046592303 0.000000000000000 and -3.355222195119805 ave velocity (Angstrom/ps) is -0.001133599366799 0.003034681942773 -0.000354560518774 total force (eV/Angstrom) is 0.110187351641517 -0.023798171054812 -0.104656376238775 average/maximum/minimum number of neighbor atoms per intpo is 76.418979865771817 93 and 22 average/maximum/minimum host electron density per intpo is 0.941442311281922 1.034653268382251 and 0.260036999253006 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.678748950738263 0.000000000000000 and -3.379001758576682 ave velocity (Angstrom/ps) is 0.002440840463169 -0.001928298149045 -0.000304104632322 total force (eV/Angstrom) is -27.550808770053557 -22.020571953585243 -127.299812852560805 average/maximum/minimum number of neighbor atoms per atom is 77.474941536471292 101 and 16 average/maximum/minimum host electron density per atom is 0.943843411277017 1.048013371146933 and 0.238349932393861 in total total force (eV/Angstrom) is -27.440621418412039 -22.044370124640054 -127.404469228799584 ave velocity (Angstrom/ps) is 0.002388615366614 -0.001855785496203 -0.000304841828545 ave kinetic energy (eV) is 0.000854573489726 global force vector length (eV/Angstrom) is 57.708013468349392 maximum force (eV/Angstrom) is 0.490017880227897 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.897707979626485 99 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -1.802977621961795 to 521.483280951028291 length is 519.776517419120182 z from -28.059223201825127 to 30.814642951309217 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851158 260.241221034463535 1.166785962235043 dynamics using ld at timestep 2100 dynamics using ld at timestep 2200 Update neighbor list at 2200 quasi-statics using cg at timestep 2200 dynamics using ld at timestep 2300 dynamics using ld at timestep 2400 Update neighbor list at 2400 quasi-statics using cg at timestep 2400 dynamics using ld at timestep 2500 timestep and time 2500 4.999999999999671 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674786347960304 0.000000000000000 and -3.351995657946855 ave velocity (Angstrom/ps) is 0.007355389722578 0.003318556010891 0.000125349619262 total force (eV/Angstrom) is 1.963376408372703 4.053768775569852 0.837339845902313 average/maximum/minimum number of neighbor atoms per intpo is 76.589530201342285 94 and 22 average/maximum/minimum host electron density per intpo is 0.940305576803546 1.030797981186168 and 0.262663454367163 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.675599147410284 0.000000000000000 and -3.377673591663669 ave velocity (Angstrom/ps) is -0.001345825995426 -0.004894900735617 -0.000338650241012 total force (eV/Angstrom) is -24.560003517937925 55.961427822047639 -152.569142678506068 average/maximum/minimum number of neighbor atoms per atom is 77.675284854214354 100 and 16 average/maximum/minimum host electron density per atom is 0.942623253809370 1.049333386572602 and 0.236451360636263 in total total force (eV/Angstrom) is -22.596627109565222 60.015196597617489 -151.731802832603762 ave velocity (Angstrom/ps) is -0.001218695073482 -0.004774896317571 -0.000331870874549 ave kinetic energy (eV) is 0.000863218156989 global force vector length (eV/Angstrom) is 58.483484229448258 maximum force (eV/Angstrom) is 0.814089925036628 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.900095500848895 104 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.271818085337170 to 521.949747923726363 length is 519.776517419120182 z from -28.059223201825127 to 30.814642951309217 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083852295 260.241221034463535 1.166785962235043 The deformation gradient is reversed dynamics using ld at timestep 2600 Update neighbor list at 2600 quasi-statics using cg at timestep 2600 dynamics using ld at timestep 2700 dynamics using ld at timestep 2800 Update neighbor list at 2800 quasi-statics using cg at timestep 2800 dynamics using ld at timestep 2900 dynamics using ld at timestep 3000 quasi-statics using cg at timestep 3000 timestep and time 3000 5.999999999999561 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.676851230240371 0.000000000000000 and -3.357386147501617 ave velocity (Angstrom/ps) is -0.009043011957872 -0.003176773058444 -0.000150168265258 total force (eV/Angstrom) is -0.015673535673693 -0.231902949149029 -0.141372884966932 average/maximum/minimum number of neighbor atoms per intpo is 76.482496644295296 95 and 22 average/maximum/minimum host electron density per intpo is 0.941570711471685 1.034483021510621 and 0.262021987876672 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.679171842520621 0.000000000000000 and -3.370632698178215 ave velocity (Angstrom/ps) is 0.001552278937428 0.004097329600469 -0.000115673798500 total force (eV/Angstrom) is -36.264456254668360 13.375532250804998 -63.134712283535528 average/maximum/minimum number of neighbor atoms per atom is 77.487865708030654 99 and 16 average/maximum/minimum host electron density per atom is 0.944268207790734 1.048414309443183 and 0.238269008231281 in total total force (eV/Angstrom) is -36.280129790342052 13.143629301655968 -63.276085168502462 ave velocity (Angstrom/ps) is 0.001397474236173 0.003991049810689 -0.000116177787081 ave kinetic energy (eV) is 0.000769520520883 global force vector length (eV/Angstrom) is 56.357563708684893 maximum force (eV/Angstrom) is 0.430974780896034 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.895585738539896 103 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.272663540509338 to 521.949747923726363 length is 519.776517419120182 z from -28.059223201825127 to 30.814674596028908 length is 58.456714993868239 center of mass (Angstrom) is at 174.803907361295018 260.241187380051883 1.166755879220215 The deformation gradient is reversed dynamics using ld at timestep 3100 dynamics using ld at timestep 3200 Update neighbor list at 3200 quasi-statics using cg at timestep 3200 dynamics using ld at timestep 3300 dynamics using ld at timestep 3400 quasi-statics using cg at timestep 3400 dynamics using ld at timestep 3500 timestep and time 3500 6.999999999999451 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674762993250405 0.000000000000000 and -3.355256501900076 ave velocity (Angstrom/ps) is 0.004475711523289 0.001142380123654 -0.000245459041332 total force (eV/Angstrom) is 3.664697557242804 -5.222075395093612 -1.639674991080798 average/maximum/minimum number of neighbor atoms per intpo is 76.489610738255038 93 and 22 average/maximum/minimum host electron density per intpo is 0.940568045361018 1.032464272074128 and 0.264289505847820 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.675794535155716 0.000000000000000 and -3.372146631176765 ave velocity (Angstrom/ps) is -0.001405273811769 -0.005702960330706 -0.000191149916386 total force (eV/Angstrom) is 30.049917029904019 -7.615199529469843 -86.117106484116718 average/maximum/minimum number of neighbor atoms per atom is 77.485141556373762 98 and 16 average/maximum/minimum host electron density per atom is 0.942735007416116 1.046618680934728 and 0.236392223355134 in total total force (eV/Angstrom) is 33.714614587146826 -12.837274924563456 -87.756781475197513 ave velocity (Angstrom/ps) is -0.001319348452393 -0.005602945060291 -0.000191943411151 ave kinetic energy (eV) is 0.000826793172644 global force vector length (eV/Angstrom) is 57.663392381626544 maximum force (eV/Angstrom) is 0.453533037669857 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.897442699490661 103 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.272663540509338 to 521.949747923726363 length is 519.776517419120182 z from -28.059223201825127 to 30.814674596028908 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851130 260.241221034464388 1.166785962235043 dynamics using ld at timestep 3600 Update neighbor list at 3600 quasi-statics using cg at timestep 3600 dynamics using ld at timestep 3700 dynamics using ld at timestep 3800 Update neighbor list at 3800 quasi-statics using cg at timestep 3800 dynamics using ld at timestep 3900 dynamics using ld at timestep 4000 Update neighbor list at 4000 quasi-statics using cg at timestep 4000 timestep and time 4000 7.999999999999341 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.672025585998938 0.000000000000000 and -3.351678855786324 ave velocity (Angstrom/ps) is -0.007249722245615 -0.005721854325135 -0.000028286517107 total force (eV/Angstrom) is 0.078397732308959 -0.054943168170680 0.031014087754621 average/maximum/minimum number of neighbor atoms per intpo is 78.053234899328856 96 and 24 average/maximum/minimum host electron density per intpo is 0.939292506254777 1.032139543570789 and 0.266733917679946 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.671851128325720 0.000000000000000 and -3.369315797504012 ave velocity (Angstrom/ps) is -0.017985902557675 -0.013320207934719 -0.000387620065847 total force (eV/Angstrom) is -30.144557916207678 -53.130621199457863 -198.679880931673182 average/maximum/minimum number of neighbor atoms per atom is 79.034860433874016 98 and 16 average/maximum/minimum host electron density per atom is 0.941907384845596 1.046047779109050 and 0.234522637323423 in total total force (eV/Angstrom) is -30.066160183898720 -53.185564367628544 -198.648866843918569 ave velocity (Angstrom/ps) is -0.017829039362294 -0.013209190608986 -0.000382369948298 ave kinetic energy (eV) is 0.000875269440469 global force vector length (eV/Angstrom) is 58.832115551885195 maximum force (eV/Angstrom) is 0.440034749837507 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.896063242784379 106 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.650260297482646 length is 519.776517419120182 z from -28.059223201825127 to 30.814674596028908 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083852352 260.241221034463820 1.166785962235043 The deformation gradient is reversed dynamics using ld at timestep 4100 dynamics using ld at timestep 4200 Update neighbor list at 4200 quasi-statics using cg at timestep 4200 dynamics using ld at timestep 4300 dynamics using ld at timestep 4400 Update neighbor list at 4400 quasi-statics using cg at timestep 4400 dynamics using ld at timestep 4500 timestep and time 4500 8.999999999999675 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674755166751943 0.000000000000000 and -3.356113436270177 ave velocity (Angstrom/ps) is 0.005606145948261 0.001665785678504 -0.000321638146109 total force (eV/Angstrom) is 2.058149271070487 0.858804071260564 -2.148554078471857 average/maximum/minimum number of neighbor atoms per intpo is 77.263731543624161 95 and 22 average/maximum/minimum host electron density per intpo is 0.940668370845795 1.039485348410335 and 0.264386514346189 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.676258884454351 0.000000000000000 and -3.374762560589899 ave velocity (Angstrom/ps) is 0.004171998259364 -0.071575689269953 -0.000529596458326 total force (eV/Angstrom) is -28.116336022945472 23.469528625417603 -238.594478394604607 average/maximum/minimum number of neighbor atoms per atom is 78.079062593292861 98 and 16 average/maximum/minimum host electron density per atom is 0.943826603067088 1.049555666306281 and 0.236734085601559 in total total force (eV/Angstrom) is -26.058186751874985 24.328332696678167 -240.743032473076454 ave velocity (Angstrom/ps) is 0.004192952172449 -0.070505579467313 -0.000526558040154 ave kinetic energy (eV) is 0.000787282891418 global force vector length (eV/Angstrom) is 56.074521241296132 maximum force (eV/Angstrom) is 0.534765426205900 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.901607597623091 107 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.650260297482646 length is 519.776517419120182 z from -28.059223201825127 to 30.814701688321271 length is 58.456714993868239 center of mass (Angstrom) is at 174.803915788783655 260.241256193414756 1.166735970580603 dynamics using ld at timestep 4600 Update neighbor list at 4600 quasi-statics using cg at timestep 4600 dynamics using ld at timestep 4700 dynamics using ld at timestep 4800 Update neighbor list at 4800 quasi-statics using cg at timestep 4800 dynamics using ld at timestep 4900 dynamics using ld at timestep 5000 Update neighbor list at 5000 quasi-statics using cg at timestep 5000 timestep and time 5000 10.000000000000009 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.676814892664443 0.000000000000000 and -3.359588138579022 ave velocity (Angstrom/ps) is -0.013783020849276 -0.004831584613701 -0.000384381908914 total force (eV/Angstrom) is 0.122487476260116 0.017698061186541 -0.107476930769615 average/maximum/minimum number of neighbor atoms per intpo is 76.509020134228194 96 and 22 average/maximum/minimum host electron density per intpo is 0.941619705482970 1.040734508274824 and 0.262498075555998 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.679301452139321 0.000000000000000 and -3.370101699137459 ave velocity (Angstrom/ps) is -0.014830308431036 0.002851600101525 -0.000445389644491 total force (eV/Angstrom) is -40.158696363796949 -8.798296035742277 -215.535395119647660 average/maximum/minimum number of neighbor atoms per atom is 77.561535973728724 98 and 16 average/maximum/minimum host electron density per atom is 0.944668344880063 1.046580622820063 and 0.238229057056524 in total total force (eV/Angstrom) is -40.036208887536830 -8.780597974555736 -215.642872050417282 ave velocity (Angstrom/ps) is -0.014815006818006 0.002739343333280 -0.000444498278282 ave kinetic energy (eV) is 0.000777768091805 global force vector length (eV/Angstrom) is 56.279128979911384 maximum force (eV/Angstrom) is 0.217077630554402 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.894551146010187 99 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.650260297482646 length is 519.776517419120182 z from -28.059223201825127 to 30.814798094657423 length is 58.456714993868239 center of mass (Angstrom) is at 174.803905828234605 260.241279348182275 1.166704162552445 The deformation gradient is reversed dynamics using ld at timestep 5100 dynamics using ld at timestep 5200 Update neighbor list at 5200 quasi-statics using cg at timestep 5200 dynamics using ld at timestep 5300 dynamics using ld at timestep 5400 Update neighbor list at 5400 quasi-statics using cg at timestep 5400 dynamics using ld at timestep 5500 timestep and time 5500 11.000000000000343 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674894559001818 0.000000000000000 and -3.358444951977392 ave velocity (Angstrom/ps) is -0.000811829705089 -0.002191629184944 -0.000013487634103 total force (eV/Angstrom) is 3.707822761206621 -0.984305326875029 -0.090097868092830 average/maximum/minimum number of neighbor atoms per intpo is 76.697583892617445 95 and 23 average/maximum/minimum host electron density per intpo is 0.940589747634622 1.040549069904589 and 0.263937923036661 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.676280117744053 0.000000000000000 and -3.372456741234869 ave velocity (Angstrom/ps) is -0.009905115106024 -0.019686259730635 -0.000523577692722 total force (eV/Angstrom) is 4.313718474150897 -21.211391978716232 -235.882896363938784 average/maximum/minimum number of neighbor atoms per atom is 77.744209622848047 97 and 16 average/maximum/minimum host electron density per atom is 0.943778452908120 1.049762375898957 and 0.236423587315232 in total total force (eV/Angstrom) is 8.021541235357518 -22.195697305591260 -235.972994232031624 ave velocity (Angstrom/ps) is -0.009772255768434 -0.019430650792480 -0.000516124915831 ave kinetic energy (eV) is 0.000854424872946 global force vector length (eV/Angstrom) is 57.370604549738154 maximum force (eV/Angstrom) is 0.795987056800829 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.905931663837013 104 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.650260297482646 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851414 260.241221034462967 1.166785962235043 dynamics using ld at timestep 5600 Update neighbor list at 5600 quasi-statics using cg at timestep 5600 dynamics using ld at timestep 5700 dynamics using ld at timestep 5800 Update neighbor list at 5800 quasi-statics using cg at timestep 5800 dynamics using ld at timestep 5900 dynamics using ld at timestep 6000 Update neighbor list at 6000 quasi-statics using cg at timestep 6000 timestep and time 6000 12.000000000000677 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.672623274474598 0.000000000000000 and -3.356535541583765 ave velocity (Angstrom/ps) is 0.001917250768269 0.010893131554121 -0.000697263353404 total force (eV/Angstrom) is 0.047036765147437 -0.079864746951987 0.057073085648780 average/maximum/minimum number of neighbor atoms per intpo is 77.882201342281874 97 and 24 average/maximum/minimum host electron density per intpo is 0.939356781174058 1.044668022643074 and 0.266396070955038 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.672681313283066 0.000000000000000 and -3.372546612860255 ave velocity (Angstrom/ps) is 0.011777872029012 -0.008969213833969 -0.000713588402510 total force (eV/Angstrom) is 27.311155406742856 2.685778242798197 -286.546297936725125 average/maximum/minimum number of neighbor atoms per atom is 78.891923325704056 98 and 15 average/maximum/minimum host electron density per atom is 0.942554711550088 1.045186858778870 and 0.234516365856084 in total total force (eV/Angstrom) is 27.358192171890291 2.605913495846209 -286.489224851076358 ave velocity (Angstrom/ps) is 0.011633801371251 -0.008679010905667 -0.000713349881985 ave kinetic energy (eV) is 0.000893456240224 global force vector length (eV/Angstrom) is 58.305264543552049 maximum force (eV/Angstrom) is 0.510769358039724 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.893622665534807 107 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.678525765719542 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850789 260.241221034464161 1.166785962235042 The deformation gradient is reversed dynamics using ld at timestep 6100 dynamics using ld at timestep 6200 Update neighbor list at 6200 quasi-statics using cg at timestep 6200 dynamics using ld at timestep 6300 dynamics using ld at timestep 6400 Update neighbor list at 6400 quasi-statics using cg at timestep 6400 dynamics using ld at timestep 6500 timestep and time 6500 13.000000000001011 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675385346494945 0.000000000000000 and -3.358846480488016 ave velocity (Angstrom/ps) is 0.008635081489445 0.000819586582924 -0.000047301920058 total force (eV/Angstrom) is 0.857343046843142 -0.688273735837811 -0.315978482308754 average/maximum/minimum number of neighbor atoms per intpo is 77.191006711409401 97 and 23 average/maximum/minimum host electron density per intpo is 0.940686411241441 1.037961485540192 and 0.263386590366991 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.676539289991954 0.000000000000000 and -3.375470589358049 ave velocity (Angstrom/ps) is 0.009394155161591 -0.002251561493997 -0.000603626928714 total force (eV/Angstrom) is 54.780600140134879 -12.696788997004569 -271.946781246873627 average/maximum/minimum number of neighbor atoms per atom is 78.043306547915222 97 and 15 average/maximum/minimum host electron density per atom is 0.943859264602332 1.050000123694026 and 0.236381685316663 in total total force (eV/Angstrom) is 55.637943186978021 -13.385062732842380 -272.262759729182392 ave velocity (Angstrom/ps) is 0.009383064557831 -0.002206689846276 -0.000595498626470 ave kinetic energy (eV) is 0.000763423771378 global force vector length (eV/Angstrom) is 55.893566216476628 maximum force (eV/Angstrom) is 0.417804535475604 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.892322792869269 110 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.678525765719542 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803920374398899 260.241153401511383 1.166783902294988 dynamics using ld at timestep 6600 Update neighbor list at 6600 quasi-statics using cg at timestep 6600 dynamics using ld at timestep 6700 dynamics using ld at timestep 6800 Update neighbor list at 6800 quasi-statics using cg at timestep 6800 dynamics using ld at timestep 6900 dynamics using ld at timestep 7000 Update neighbor list at 7000 quasi-statics using cg at timestep 7000 timestep and time 7000 14.000000000001345 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.677267491026592 0.000000000000000 and -3.359903443800816 ave velocity (Angstrom/ps) is -0.002901406599041 0.013404350846757 -0.000370482881267 total force (eV/Angstrom) is -0.127537215735806 -0.076173877932056 0.238833172180354 average/maximum/minimum number of neighbor atoms per intpo is 76.675140939597313 96 and 22 average/maximum/minimum host electron density per intpo is 0.941616600079320 1.045859718765360 and 0.263390462795142 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.679531740682334 0.000000000000000 and -3.377234572570187 ave velocity (Angstrom/ps) is 0.003583780107565 -0.004802302455516 -0.000390692399340 total force (eV/Angstrom) is -8.341675260745060 37.830813627867734 -160.829213579397873 average/maximum/minimum number of neighbor atoms per atom is 77.625876952930639 98 and 15 average/maximum/minimum host electron density per atom is 0.944929102070825 1.051587484702257 and 0.238164856259654 in total total force (eV/Angstrom) is -8.469212476480866 37.754639749935677 -160.590380407217509 ave velocity (Angstrom/ps) is 0.003489026938386 -0.004536290360788 -0.000390397123973 ave kinetic energy (eV) is 0.000878798368731 global force vector length (eV/Angstrom) is 56.457009889855634 maximum force (eV/Angstrom) is 0.264491736952141 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.877811969439730 105 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.678525765719542 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803897219578829 260.241254062421604 1.166708038767532 The deformation gradient is reversed dynamics using ld at timestep 7100 dynamics using ld at timestep 7200 Update neighbor list at 7200 quasi-statics using cg at timestep 7200 dynamics using ld at timestep 7300 dynamics using ld at timestep 7400 Update neighbor list at 7400 quasi-statics using cg at timestep 7400 dynamics using ld at timestep 7500 timestep and time 7500 15.000000000001679 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.676384441957558 0.000000000000000 and -3.359028239124538 ave velocity (Angstrom/ps) is 0.005063210246793 -0.009811352614243 0.000013559818823 total force (eV/Angstrom) is -4.770337045197579 0.220526133417591 0.090580064548057 average/maximum/minimum number of neighbor atoms per intpo is 76.745530201342277 96 and 23 average/maximum/minimum host electron density per intpo is 0.940968012792033 1.043442439084266 and 0.265146964414757 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.676954702148615 0.000000000000000 and -3.378835293030368 ave velocity (Angstrom/ps) is 0.010729267877164 -0.000785360936887 -0.000169862343107 total force (eV/Angstrom) is 10.227728250670838 -18.166923078045269 -76.526601557532047 average/maximum/minimum number of neighbor atoms per atom is 77.724363120708531 99 and 15 average/maximum/minimum host electron density per atom is 0.944024262908813 1.057001401234273 and 0.236352886404256 in total total force (eV/Angstrom) is 5.457391205473259 -17.946396944627679 -76.436021492983983 ave velocity (Angstrom/ps) is 0.010646482763718 -0.000917237065532 -0.000167182415462 ave kinetic energy (eV) is 0.001027376257933 global force vector length (eV/Angstrom) is 58.017390440346460 maximum force (eV/Angstrom) is 0.711893306387021 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.902483022071308 105 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.633899841839479 length is 429.058747308677084 y from -2.974266865749983 to 522.678525765719542 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850647 260.241221034464274 1.166785962235043 dynamics using ld at timestep 7600 Update neighbor list at 7600 quasi-statics using cg at timestep 7600 dynamics using ld at timestep 7700 dynamics using ld at timestep 7800 Update neighbor list at 7800 quasi-statics using cg at timestep 7800 dynamics using ld at timestep 7900 dynamics using ld at timestep 8000 Update neighbor list at 8000 quasi-statics using cg at timestep 8000 timestep and time 8000 16.000000000002011 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675633275775099 0.000000000000000 and -3.356567945942790 ave velocity (Angstrom/ps) is -0.005940462594327 -0.021218268299537 -0.000300781250725 total force (eV/Angstrom) is -0.072925159502008 -0.131248011758350 -0.435763139593900 average/maximum/minimum number of neighbor atoms per intpo is 77.024912751677846 98 and 24 average/maximum/minimum host electron density per intpo is 0.940775971288656 1.047137930137592 and 0.266611354410141 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.674235586958308 0.000000000000000 and -3.378392191509593 ave velocity (Angstrom/ps) is 0.014848425810497 0.064067594135332 0.000192082071411 total force (eV/Angstrom) is 28.309843800118337 128.283200105526532 91.594606459565327 average/maximum/minimum number of neighbor atoms per atom is 78.392868693402335 101 and 15 average/maximum/minimum host electron density per atom is 0.942670299696591 1.049365838664081 and 0.234417438734223 in total total force (eV/Angstrom) is 28.236918640616331 128.151952093768188 91.158843319971425 ave velocity (Angstrom/ps) is 0.014544685432744 0.062821507304307 0.000184880989337 ave kinetic energy (eV) is 0.001384429481264 global force vector length (eV/Angstrom) is 59.268164443804608 maximum force (eV/Angstrom) is 0.822134493884144 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.893569609507640 107 and 0 box boundaries/lengths are (Angstrom) x from -39.845239028557685 to 389.762521364196118 length is 429.058747308677084 y from -2.974266865749983 to 522.678827546859907 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850021 260.241221034462967 1.166785962235042 dynamics using ld at timestep 8100 dynamics using ld at timestep 8200 Update neighbor list at 8200 quasi-statics using cg at timestep 8200 dynamics using ld at timestep 8300 dynamics using ld at timestep 8400 Update neighbor list at 8400 quasi-statics using cg at timestep 8400 dynamics using ld at timestep 8500 timestep and time 8500 17.000000000001457 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674805597944081 0.000000000000000 and -3.354176872444881 ave velocity (Angstrom/ps) is 0.003762913781324 -0.001133473094701 -0.000001791135703 total force (eV/Angstrom) is -0.129095755689431 1.423944186738406 -0.011964849214651 average/maximum/minimum number of neighbor atoms per intpo is 76.962308724832212 99 and 24 average/maximum/minimum host electron density per intpo is 0.940271569905938 1.040157151242279 and 0.263956010074858 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.673234209564663 0.000000000000000 and -3.386595318459819 ave velocity (Angstrom/ps) is -0.006037396696905 0.056685261295297 0.000000620470311 total force (eV/Angstrom) is -10.440174202867803 89.663552569331941 0.279535083591020 average/maximum/minimum number of neighbor atoms per atom is 78.419177281321524 102 and 15 average/maximum/minimum host electron density per atom is 0.942556746455736 1.048914234750928 and 0.232369365594380 in total total force (eV/Angstrom) is -10.569269958557234 91.087496756070351 0.267570234376369 ave velocity (Angstrom/ps) is -0.005894207222375 0.055840488651238 0.000000585235040 ave kinetic energy (eV) is 0.001988950011682 global force vector length (eV/Angstrom) is 61.925726761892548 maximum force (eV/Angstrom) is 1.694570032916024 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.895559210526315 102 and 0 box boundaries/lengths are (Angstrom) x from -39.957222692425027 to 389.951157676109688 length is 429.058747308677084 y from -3.417433713123280 to 523.142400886086421 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851414 260.241221034462569 1.166785962235042 dynamics using ld at timestep 8600 Update neighbor list at 8600 quasi-statics using cg at timestep 8600 dynamics using ld at timestep 8700 dynamics using ld at timestep 8800 Update neighbor list at 8800 quasi-statics using cg at timestep 8800 dynamics using ld at timestep 8900 dynamics using ld at timestep 9000 Update neighbor list at 9000 quasi-statics using cg at timestep 9000 timestep and time 9000 18.000000000000902 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.673102696416434 0.000000000000000 and -3.353277395544882 ave velocity (Angstrom/ps) is -0.004280417958736 -0.004243669594257 0.000111069486836 total force (eV/Angstrom) is 0.031422424052981 -0.120832723414369 0.078598418373576 average/maximum/minimum number of neighbor atoms per intpo is 77.843946308724838 99 and 24 average/maximum/minimum host electron density per intpo is 0.939338916834715 1.035614692151231 and 0.265861140934824 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.672442746779685 0.000000000000000 and -3.375661300178378 ave velocity (Angstrom/ps) is -0.018184655714760 0.000801536646536 -0.000529666460805 total force (eV/Angstrom) is -28.330030629594877 -5.164500359072792 -223.361855173377421 average/maximum/minimum number of neighbor atoms per atom is 78.763521245895120 102 and 15 average/maximum/minimum host electron density per atom is 0.942127352993050 1.043712827770206 and 0.230243006933101 in total total force (eV/Angstrom) is -28.298608205541896 -5.285333082487162 -223.283256755003833 ave velocity (Angstrom/ps) is -0.017981504957195 0.000727822611443 -0.000520304854981 ave kinetic energy (eV) is 0.001504559635901 global force vector length (eV/Angstrom) is 60.617505692917284 maximum force (eV/Angstrom) is 1.179710312518447 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.902058573853989 107 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.837791986838738 length is 519.776517419120182 z from -28.059223201825127 to 30.814833700583190 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851897 260.241221034463138 1.166785962235042 The deformation gradient is reversed dynamics using ld at timestep 9100 dynamics using ld at timestep 9200 Update neighbor list at 9200 quasi-statics using cg at timestep 9200 dynamics using ld at timestep 9300 dynamics using ld at timestep 9400 Update neighbor list at 9400 quasi-statics using cg at timestep 9400 dynamics using ld at timestep 9500 timestep and time 9500 19.000000000000348 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675747632127111 0.000000000000000 and -3.357189010323081 ave velocity (Angstrom/ps) is -0.005074748537925 0.003292299818587 0.000430981049554 total force (eV/Angstrom) is 0.869753390443090 -2.852861454004596 2.878968502228655 average/maximum/minimum number of neighbor atoms per intpo is 76.603355704697989 95 and 24 average/maximum/minimum host electron density per intpo is 0.940877930160360 1.040849935885526 and 0.264640270937298 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.677057527652630 0.000000000000000 and -3.374286406712957 ave velocity (Angstrom/ps) is -0.025824215810617 0.000049194166304 -0.000412971029280 total force (eV/Angstrom) is 68.490969094045141 24.266238182885324 -186.052239916096909 average/maximum/minimum number of neighbor atoms per atom is 77.774193949646730 98 and 15 average/maximum/minimum host electron density per atom is 0.943398663345039 1.044569381671476 and 0.232677179197025 in total total force (eV/Angstrom) is 69.360722484488235 21.413376728880728 -183.173271413868264 ave velocity (Angstrom/ps) is -0.025521051403514 0.000096578235944 -0.000400640291906 ave kinetic energy (eV) is 0.000932098092500 global force vector length (eV/Angstrom) is 56.742046876212441 maximum force (eV/Angstrom) is 0.726455923886087 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.904499151103565 104 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.837791986838738 length is 519.776517419120182 z from -28.059223201825127 to 30.814947480948135 length is 58.456714993868239 center of mass (Angstrom) is at 174.803790098736499 260.241137385143020 1.166690359445562 The deformation gradient is reversed dynamics using ld at timestep 9600 Update neighbor list at 9600 quasi-statics using cg at timestep 9600 dynamics using ld at timestep 9700 dynamics using ld at timestep 9800 Update neighbor list at 9800 quasi-statics using cg at timestep 9800 dynamics using ld at timestep 9900 dynamics using ld at timestep 10000 Update neighbor list at 10000 quasi-statics using cg at timestep 10000 timestep and time 10000 19.999999999999794 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.673382333887649 0.000000000000000 and -3.355266837400890 ave velocity (Angstrom/ps) is 0.004712603638300 -0.001656835920550 -0.000311720791981 total force (eV/Angstrom) is 0.090740088088979 -0.112760203142317 0.104038933526538 average/maximum/minimum number of neighbor atoms per intpo is 77.746926174496650 95 and 24 average/maximum/minimum host electron density per intpo is 0.939841508978513 1.033464354617512 and 0.265889654221651 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.674091683256605 0.000000000000000 and -3.376048710600093 ave velocity (Angstrom/ps) is 0.012048283087829 -0.012874973194836 -0.000668186250061 total force (eV/Angstrom) is 10.395099562178441 -64.230474783165107 -252.665635019726921 average/maximum/minimum number of neighbor atoms per atom is 78.386829535277144 97 and 15 average/maximum/minimum host electron density per atom is 0.942492663224149 1.039003870893541 and 0.230224864284372 in total total force (eV/Angstrom) is 10.485839650267421 -64.343234986307422 -252.561596086200382 ave velocity (Angstrom/ps) is 0.011941103617543 -0.012711068267020 -0.000662978037348 ave kinetic energy (eV) is 0.000846397655313 global force vector length (eV/Angstrom) is 57.615284968021847 maximum force (eV/Angstrom) is 0.601454750317484 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.897522283531409 107 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.839214924722910 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850903 260.241221034463763 1.166785962235043 The deformation gradient is reversed dynamics using ld at timestep 10100 dynamics using ld at timestep 10200 Update neighbor list at 10200 quasi-statics using cg at timestep 10200 dynamics using ld at timestep 10300 dynamics using ld at timestep 10400 Update neighbor list at 10400 quasi-statics using cg at timestep 10400 dynamics using ld at timestep 10500 timestep and time 10500 20.999999999999240 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675797707082991 0.000000000000000 and -3.358957065054080 ave velocity (Angstrom/ps) is 0.014095247659837 -0.008225946863249 0.000079234016443 total force (eV/Angstrom) is 1.710423043252265 1.455940514557936 0.529286004290860 average/maximum/minimum number of neighbor atoms per intpo is 76.646147651006714 94 and 23 average/maximum/minimum host electron density per intpo is 0.940872615655544 1.035137278933110 and 0.264305382885692 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.677445182888416 0.000000000000000 and -3.374040751602205 ave velocity (Angstrom/ps) is -0.007443710657454 -0.015096531416975 -0.000465963672992 total force (eV/Angstrom) is 10.901624233138802 -24.951386555047879 -209.926554002519055 average/maximum/minimum number of neighbor atoms per atom is 77.673356801671815 95 and 15 average/maximum/minimum host electron density per atom is 0.943708691068257 1.039574952219507 and 0.232310890437722 in total total force (eV/Angstrom) is 12.612047276391067 -23.495446040489945 -209.397267998228187 ave velocity (Angstrom/ps) is -0.007129011227245 -0.014996147312396 -0.000457997948759 ave kinetic energy (eV) is 0.000748176872925 global force vector length (eV/Angstrom) is 55.689125888424655 maximum force (eV/Angstrom) is 0.493414424798464 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.900440365025467 104 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.839214924722910 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803864259250304 260.241202744233419 1.166780754634768 The deformation gradient is reversed dynamics using ld at timestep 10600 Update neighbor list at 10600 quasi-statics using cg at timestep 10600 dynamics using ld at timestep 10700 dynamics using ld at timestep 10800 Update neighbor list at 10800 quasi-statics using cg at timestep 10800 dynamics using ld at timestep 10900 dynamics using ld at timestep 11000 Update neighbor list at 11000 quasi-statics using cg at timestep 11000 timestep and time 11000 21.999999999998685 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.673593429628293 0.000000000000000 and -3.357726804522550 ave velocity (Angstrom/ps) is -0.000719767636101 -0.000651484613803 -0.000291033636208 total force (eV/Angstrom) is -0.184101608247724 0.008270827282111 -0.022940615652058 average/maximum/minimum number of neighbor atoms per intpo is 77.676000000000002 95 and 24 average/maximum/minimum host electron density per intpo is 0.939949822531834 1.035932146746992 and 0.266205254382477 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.674327380689467 0.000000000000000 and -3.378416494017650 ave velocity (Angstrom/ps) is -0.011403092108951 0.001874663577934 -0.000489558233475 total force (eV/Angstrom) is 18.907368103113591 5.326873257001180 -230.075297100094701 average/maximum/minimum number of neighbor atoms per atom is 78.365652054930834 97 and 15 average/maximum/minimum host electron density per atom is 0.942305698454338 1.041732634207622 and 0.230111343379002 in total total force (eV/Angstrom) is 18.723266494865868 5.335144084283291 -230.098237715746762 ave velocity (Angstrom/ps) is -0.011247001174802 0.001837754764385 -0.000486657648557 ave kinetic energy (eV) is 0.000832207459260 global force vector length (eV/Angstrom) is 57.293657100713133 maximum force (eV/Angstrom) is 0.832870001948883 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.895665322580644 107 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.852181611314904 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851613 260.241221034463820 1.166785962235042 The deformation gradient is reversed dynamics using ld at timestep 11100 dynamics using ld at timestep 11200 Update neighbor list at 11200 quasi-statics using cg at timestep 11200 dynamics using ld at timestep 11300 dynamics using ld at timestep 11400 Update neighbor list at 11400 quasi-statics using cg at timestep 11400 dynamics using ld at timestep 11500 timestep and time 11500 22.999999999998131 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675978239793895 0.000000000000000 and -3.359513734969471 ave velocity (Angstrom/ps) is -0.011349607000040 -0.011375741168591 0.000586903544314 total force (eV/Angstrom) is -2.450924011642516 1.537211285422546 3.920536226999843 average/maximum/minimum number of neighbor atoms per intpo is 76.723275167785232 96 and 23 average/maximum/minimum host electron density per intpo is 0.940877505623598 1.042930352508172 and 0.265306846247350 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.677647133213830 0.000000000000000 and -3.374005522369916 ave velocity (Angstrom/ps) is 0.002198728732321 0.015887434636598 -0.000444528360381 total force (eV/Angstrom) is -25.537809174753505 -28.799338119966603 -200.269489361888446 average/maximum/minimum number of neighbor atoms per atom is 77.657602746541940 99 and 15 average/maximum/minimum host electron density per atom is 0.943543898027836 1.038715972444965 and 0.232282119620694 in total total force (eV/Angstrom) is -27.988733186396022 -27.262126834544055 -196.348953134888603 ave velocity (Angstrom/ps) is 0.002000777955294 0.015489100336248 -0.000429458410019 ave kinetic energy (eV) is 0.000725736322092 global force vector length (eV/Angstrom) is 55.562362468318376 maximum force (eV/Angstrom) is 0.410386550621254 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.895771434634973 105 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.852181611314904 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803894817790166 260.241227680247050 1.166773977900334 The deformation gradient is reversed dynamics using ld at timestep 11600 Update neighbor list at 11600 quasi-statics using cg at timestep 11600 dynamics using ld at timestep 11700 dynamics using ld at timestep 11800 Update neighbor list at 11800 quasi-statics using cg at timestep 11800 dynamics using ld at timestep 11900 dynamics using ld at timestep 12000 Update neighbor list at 12000 quasi-statics using cg at timestep 12000 timestep and time 12000 23.999999999997577 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674289356762887 0.000000000000000 and -3.357599519511721 ave velocity (Angstrom/ps) is 0.005069414007302 0.006597404357731 -0.000151337186564 total force (eV/Angstrom) is 0.163518885219769 0.046873692617487 0.303615497334781 average/maximum/minimum number of neighbor atoms per intpo is 77.463597315436246 97 and 24 average/maximum/minimum host electron density per intpo is 0.940111493134672 1.050617235158465 and 0.266817798698740 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.674352268732024 0.000000000000000 and -3.372090447246356 ave velocity (Angstrom/ps) is -0.017925693252860 -0.027207950668162 -0.000636741875038 total force (eV/Angstrom) is -9.310024489425597 -36.625777522795723 -266.665664806815357 average/maximum/minimum number of neighbor atoms per atom is 78.314204149666637 98 and 15 average/maximum/minimum host electron density per atom is 0.942496456158573 1.043413356324102 and 0.230027292779854 in total total force (eV/Angstrom) is -9.146505604205828 -36.578903830178234 -266.362049309480597 ave velocity (Angstrom/ps) is -0.017589718455668 -0.026714030497652 -0.000629649768882 ave kinetic energy (eV) is 0.000831664923051 global force vector length (eV/Angstrom) is 57.294050654242675 maximum force (eV/Angstrom) is 0.404834920375204 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.890067911714770 107 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.852181611314904 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083851073 260.241221034463649 1.166785962235043 The deformation gradient is reversed dynamics using ld at timestep 12100 dynamics using ld at timestep 12200 Update neighbor list at 12200 quasi-statics using cg at timestep 12200 dynamics using ld at timestep 12300 dynamics using ld at timestep 12400 Update neighbor list at 12400 quasi-statics using cg at timestep 12400 dynamics using ld at timestep 12500 timestep and time 12500 24.999999999997023 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.676594145511381 0.000000000000000 and -3.359276487771296 ave velocity (Angstrom/ps) is -0.001964480828073 0.011174526660650 0.000251624518685 total force (eV/Angstrom) is 3.350975615901091 -2.617014151575091 1.680860595688584 average/maximum/minimum number of neighbor atoms per intpo is 76.783463087248322 95 and 23 average/maximum/minimum host electron density per intpo is 0.941153529543957 1.048024395833009 and 0.263249828814418 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.677629552302462 0.000000000000000 and -3.377034002826783 ave velocity (Angstrom/ps) is 0.012192145694224 0.004699305882180 -0.000560141605252 total force (eV/Angstrom) is 15.923900073541876 -4.645708687492462 -252.355717322445599 average/maximum/minimum number of neighbor atoms per atom is 77.679091203104790 97 and 15 average/maximum/minimum host electron density per atom is 0.943395501939028 1.039593583451998 and 0.232258306237208 in total total force (eV/Angstrom) is 19.274875689442968 -7.262722839067553 -250.674856726757014 ave velocity (Angstrom/ps) is 0.011985307358097 0.004793913442093 -0.000548281127466 ave kinetic energy (eV) is 0.000892556125406 global force vector length (eV/Angstrom) is 55.898990202388866 maximum force (eV/Angstrom) is 0.500289727985210 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.898503820033955 110 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.852181611314904 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803900213966529 260.241198178280627 1.166786038065931 The deformation gradient is reversed dynamics using ld at timestep 12600 Update neighbor list at 12600 quasi-statics using cg at timestep 12600 dynamics using ld at timestep 12700 dynamics using ld at timestep 12800 Update neighbor list at 12800 quasi-statics using cg at timestep 12800 dynamics using ld at timestep 12900 dynamics using ld at timestep 13000 Update neighbor list at 13000 quasi-statics using cg at timestep 13000 timestep and time 13000 25.999999999996469 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.675584895587760 0.000000000000000 and -3.357919058595062 ave velocity (Angstrom/ps) is 0.003511376902796 0.003289039848008 -0.000167680421860 total force (eV/Angstrom) is 0.163970583236021 0.130263161308252 -0.007701147242957 average/maximum/minimum number of neighbor atoms per intpo is 77.083704697986576 97 and 24 average/maximum/minimum host electron density per intpo is 0.940447529887736 1.041868374317394 and 0.266995312708890 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.675095772305997 0.000000000000000 and -3.377168674518216 ave velocity (Angstrom/ps) is 0.005044411110658 -0.013708810022666 -0.000203633589420 total force (eV/Angstrom) is -11.821570488073531 -16.043515486094179 -67.302159959499178 average/maximum/minimum number of neighbor atoms per atom is 78.157895064185496 97 and 15 average/maximum/minimum host electron density per atom is 0.942557816458590 1.040162360796274 and 0.230051270570394 in total total force (eV/Angstrom) is -11.657599904837511 -15.913252324785928 -67.309861106742133 ave velocity (Angstrom/ps) is 0.005022012395521 -0.013460459401884 -0.000203108288188 ave kinetic energy (eV) is 0.001030259440110 global force vector length (eV/Angstrom) is 57.779891377265088 maximum force (eV/Angstrom) is 0.569254226653088 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.897787563667233 110 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.125003766488998 to 523.852181611314904 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850448 260.241221034463763 1.166785962235043 dynamics using ld at timestep 13100 dynamics using ld at timestep 13200 Update neighbor list at 13200 quasi-statics using cg at timestep 13200 dynamics using ld at timestep 13300 dynamics using ld at timestep 13400 Update neighbor list at 13400 quasi-statics using cg at timestep 13400 dynamics using ld at timestep 13500 timestep and time 13500 26.999999999995914 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674992682642977 0.000000000000000 and -3.355059328473022 ave velocity (Angstrom/ps) is -0.006390114085319 -0.024883400258695 -0.000057807248513 total force (eV/Angstrom) is 3.684676912499591 -4.268941487866650 -0.386154444245434 average/maximum/minimum number of neighbor atoms per intpo is 77.091409395973159 98 and 25 average/maximum/minimum host electron density per intpo is 0.940189680821183 1.060122231084087 and 0.268463845595293 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.672279270879289 0.000000000000000 and -3.379591736513412 ave velocity (Angstrom/ps) is 0.002237601263921 0.100399736485834 0.000365681199715 total force (eV/Angstrom) is -66.428448684808643 161.057162429411989 164.747165002855184 average/maximum/minimum number of neighbor atoms per atom is 78.565155736889238 100 and 15 average/maximum/minimum host electron density per atom is 0.941117918005855 1.047713807120861 and 0.227925279322604 in total total force (eV/Angstrom) is -62.743771772309053 156.788220941545347 164.361010558609763 ave velocity (Angstrom/ps) is 0.002111544234402 0.098569261159796 0.000359493733664 ave kinetic energy (eV) is 0.001711228309917 global force vector length (eV/Angstrom) is 59.969104377542436 maximum force (eV/Angstrom) is 1.043163347155551 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.893383913412563 106 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 389.951157676109688 length is 429.058747308677084 y from -4.595002754660546 to 524.303100434754242 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850249 260.241221034464047 1.166785962235042 dynamics using ld at timestep 13600 Update neighbor list at 13600 quasi-statics using cg at timestep 13600 dynamics using ld at timestep 13700 dynamics using ld at timestep 13800 Update neighbor list at 13800 quasi-statics using cg at timestep 13800 dynamics using ld at timestep 13900 dynamics using ld at timestep 14000 Update neighbor list at 14000 quasi-statics using cg at timestep 14000 timestep and time 14000 27.999999999995360 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674047752577901 0.000000000000000 and -3.352958014939453 ave velocity (Angstrom/ps) is -0.009444582179462 -0.022060857333625 -0.000426765821227 total force (eV/Angstrom) is 0.053498188219459 -0.242293907642055 -0.392903932923291 average/maximum/minimum number of neighbor atoms per intpo is 77.230926174496645 99 and 23 average/maximum/minimum host electron density per intpo is 0.939614228227668 1.037486794893690 and 0.264538890469409 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.671925431517579 0.000000000000000 and -3.379914003041067 ave velocity (Angstrom/ps) is -0.003412797259096 0.033886559205613 -0.000066207077454 total force (eV/Angstrom) is -28.805295507862901 12.670367905047987 -44.335459851128633 average/maximum/minimum number of neighbor atoms per atom is 78.441903423226194 99 and 14 average/maximum/minimum host electron density per atom is 0.941064807391622 1.046050660394607 and 0.225713962916447 in total total force (eV/Angstrom) is -28.751797319643440 12.428073997405933 -44.728363784051922 ave velocity (Angstrom/ps) is -0.003500925907177 0.033069127840213 -0.000071475095970 ave kinetic energy (eV) is 0.002079417160379 global force vector length (eV/Angstrom) is 60.875373097022695 maximum force (eV/Angstrom) is 1.012332050208490 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.900068972835314 107 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 390.048833885331533 length is 429.058747308677084 y from -5.291965357535287 to 525.009098985989795 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083850419 260.241221034463422 1.166785962235044 dynamics using ld at timestep 14100 dynamics using ld at timestep 14200 Update neighbor list at 14200 quasi-statics using cg at timestep 14200 dynamics using ld at timestep 14300 dynamics using ld at timestep 14400 Update neighbor list at 14400 quasi-statics using cg at timestep 14400 dynamics using ld at timestep 14500 timestep and time 14500 28.999999999994806 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.671682897373267 0.000000000000000 and -3.350483385526588 ave velocity (Angstrom/ps) is 0.001330377079105 -0.018472105181765 -0.000202197825136 total force (eV/Angstrom) is -1.359075445760404 -2.425963262413151 -1.350688552055053 average/maximum/minimum number of neighbor atoms per intpo is 77.959167785234897 97 and 24 average/maximum/minimum host electron density per intpo is 0.938535918233554 1.032650141151866 and 0.269448130709933 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.670500148859805 0.000000000000000 and -3.375583646146946 ave velocity (Angstrom/ps) is -0.015624638601021 -0.022943867468943 -0.000467038356559 total force (eV/Angstrom) is -8.379731189708878 -64.652795502863682 -210.410721827259124 average/maximum/minimum number of neighbor atoms per atom is 78.618270474674091 100 and 14 average/maximum/minimum host electron density per atom is 0.939856101663878 1.047165726761952 and 0.223327636647055 in total total force (eV/Angstrom) is -9.738806635469281 -67.078758765276831 -211.761410379314185 ave velocity (Angstrom/ps) is -0.015376913818089 -0.022878531856000 -0.000463168848893 ave kinetic energy (eV) is 0.001430136777730 global force vector length (eV/Angstrom) is 61.223403453971471 maximum force (eV/Angstrom) is 1.660904230189117 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.896752971137520 106 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 390.048833885331533 length is 429.058747308677084 y from -5.753372516664766 to 525.482999262939643 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803873083852466 260.241221034462853 1.166785962235043 The deformation gradient is reversed dynamics using ld at timestep 14600 Update neighbor list at 14600 quasi-statics using cg at timestep 14600 dynamics using ld at timestep 14700 dynamics using ld at timestep 14800 Update neighbor list at 14800 quasi-statics using cg at timestep 14800 dynamics using ld at timestep 14900 dynamics using ld at timestep 15000 The deformation gradient is reversed Update neighbor list at 15000 quasi-statics using cg at timestep 15000 timestep and time 15000 29.999999999994252 ps in the coarse-grained domain average/maximum/minimum energy (eV) per node is -1.674490836216444 0.000000000000000 and -3.357309480536259 ave velocity (Angstrom/ps) is -0.000980941318432 0.004820854882601 0.000560755103216 total force (eV/Angstrom) is 0.151281078179787 -0.014706459553963 -0.131402308728253 average/maximum/minimum number of neighbor atoms per intpo is 76.999463087248316 94 and 24 average/maximum/minimum host electron density per intpo is 0.939998898486450 1.043742998876841 and 0.266222982853619 in the atomistic domain average/maximum/minimum energy (eV) per atom is -2.675225934927439 0.000000000000000 and -3.370885952733404 ave velocity (Angstrom/ps) is 0.013533364811022 0.018531145618579 -0.000302100587130 total force (eV/Angstrom) is -14.930927026119660 31.907132496191963 -169.024310394869474 average/maximum/minimum number of neighbor atoms per atom is 77.810845606528019 100 and 13 average/maximum/minimum host electron density per atom is 0.941670575307501 1.046981386433200 and 0.225540352042126 in total total force (eV/Angstrom) is -14.779645947939873 31.892426036638000 -169.155712703597715 ave velocity (Angstrom/ps) is 0.013321300522604 0.018330828564288 -0.000289493654608 ave kinetic energy (eV) is 0.000886405118671 global force vector length (eV/Angstrom) is 57.118194559135837 maximum force (eV/Angstrom) is 0.408737889549970 average/maximum/minimum number of neighbor cells per cell is 24.709677419354840 27 and 14 average/maximum/minimum number of atomps per cell is 25.902297325976232 105 and 0 box boundaries/lengths are (Angstrom) x from -40.101990142521267 to 390.048833885331533 length is 429.058747308677084 y from -5.753372516664766 to 525.490588258226126 length is 519.776517419120182 z from -28.059223201825127 to 30.815043083737603 length is 58.456714993868239 center of mass (Angstrom) is at 174.803857996954747 260.241197697875691 1.166870809275200 Elapsed time (in h) Total time (%) 21.009195227287709 Interaction time (%) 33.597995614007942( 159.920431270824309) Neighbor time (%) 0.147009810217553( 0.699740321450341) Communication time (%) 3.746483381643063( 17.832588736083324) Input/Output time (%) 0.443890870523949( 2.112840904764422) Other time (%) -16.926184449104799( -80.565601233122393)