Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.620386697351933 cohesive_energy=3.540278409370103 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 1.168811533318554 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.1688115333199953 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.168811533318554 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.1688115333199953 Energy: 1.1148884916723567 Energy: 0.015792370747366002 Energy: 0.015792370747366002 Energy: 1.1876547088159743 Energy: 0.015792370747366002 Energy: 0.015792370747366002 Energy: 1.1876547088159743 Energy: 0.015792370747366002 Energy: 0.015792370747366002 Energy: 1.114888491673798 Energy: 1.168811533318554 Energy: 0.32476459107304373 Energy: 0.018400635946712596 Energy: 1.1688115333199953 Energy: 0.32476459107304373 Energy: 0.018400635946712596 Energy: 1.168811533318554 Energy: 0.32476459107304373 Energy: 0.018400635946712596 Energy: 1.168811533318554 Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 0.3272604386359463 Energy: 0.3272604386359463 Energy: 0.015439935158363819 Energy: 1.168811533318554 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.168811533318554 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.168811533318554 Energy: 0.018400635946712596 Energy: 0.32476459107304373 Energy: 1.1688115333199953 Energy: 1.3106567817529864 Energy: 0.015792370747366002 Energy: 0.5652865424645617 Energy: 1.3106567817515453 Energy: 0.015792370747366002 Energy: 0.5652865424645617 Energy: 1.4020703779417598 Energy: 0.015792370747366002 Energy: 0.6003922930449729 Energy: 1.2941553119213893 minimum gb energy = 0.015439935158363819 eV minimum distance = 2.31205344626337 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.8968546791168241 Energy: 1.0483798409550793 Energy: 0.9753272344037447 Energy: 0.8785541696870246 Energy: 1.0483798409554002 Energy: 0.9753272344034238 Energy: 0.8968546791182364 Energy: 1.0483798409557854 Energy: 0.9753272344037447 Energy: 0.8785541696867036 Energy: 1.1327523246524143 Energy: 0.8525741426246234 Energy: 1.0663422473421424 Energy: 1.1327523246517084 Energy: 0.8525741426246234 Energy: 1.0663422473428485 Energy: 1.1327523246506812 Energy: 0.8525741426250085 Energy: 1.0663422473431694 Energy: 1.1327523246506812 Energy: 0.9425304912893979 Energy: 1.05114615007431 Energy: 1.0599646704609562 Energy: 1.0394493661314808 Energy: 1.051146150073604 Energy: 1.0599646704613415 Energy: 0.9425304912879858 Energy: 1.051146150073283 Energy: 1.0599646704602503 Energy: 1.0394493661310955 Energy: 0.9737136289066638 Energy: 1.083236023952276 Energy: 0.7815132370947054 Energy: 0.9737136289069848 Energy: 1.0832360239529821 Energy: 0.7815132370957967 Energy: 0.9737136289062788 Energy: 1.0832360239547791 Energy: 0.7815132370954115 Energy: 0.9737136289055728 Energy: 0.7445449309297052 Energy: 1.222773783222219 Energy: 1.063982703346831 Energy: 0.7445449309272661 Energy: 1.222222026252214 Energy: 1.0409025215722276 Energy: 0.7445449309279721 Energy: 1.222773783220422 Energy: 1.0639827033461249 Energy: 0.7445449309286781 Energy: 1.0609409154200187 Energy: 1.0304343364181376 Energy: 1.169658050881639 Energy: 1.0609409154189915 Energy: 1.0304343364184587 Energy: 1.169658050882024 Energy: 1.0609409154189915 Energy: 1.0304343364191648 Energy: 1.169658050883051 Energy: 1.0609409154200187 Energy: 1.1743767004639265 Energy: 0.9898611772653474 Energy: 1.0398251205366773 Energy: 1.1743767004646324 Energy: 0.9898611772632292 Energy: 1.0398251205377687 Energy: 1.1743767004646324 Energy: 0.989861177260405 Energy: 1.0398251205387956 Energy: 1.1743767004635415 Energy: 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0.9753272344034238 Energy: 0.8868438257908854 Energy: 1.0483798409550793 Energy: 0.9753272344030387 Energy: 0.8872361955021608 Energy: 1.132752324651002 Energy: 0.8525741426243025 Energy: 1.0663422473417572 Energy: 1.1327523246506812 Energy: 0.8525741426250085 Energy: 1.0663422473421424 Energy: 1.13275232464959 Energy: 0.8525741426246234 Energy: 1.0663422473424635 Energy: 1.1327523246506812 Energy: 0.8975189334395904 Energy: 1.051146150073989 Energy: 1.0599646704606354 Energy: 0.8890649706418451 Energy: 1.051146150073604 Energy: 1.0599646704616625 Energy: 0.8975189334402964 Energy: 1.051146150074695 Energy: 1.0599646704616625 Energy: 0.8890649706428719 Energy: 0.9737136289073699 Energy: 1.083236023952276 Energy: 0.7815132370943845 Energy: 0.973713628908076 Energy: 1.0832360239519552 Energy: 0.7815132370961176 Energy: 0.9737136289066638 Energy: 1.0832360239540733 Energy: 0.7815132370954115 Energy: 0.9737136289059579 minimum gb energy = 0.7445449309272661 eV minimum distance = 2.28423163551515 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.9645609222177697 Energy: 0.878325224624691 Energy: 0.8978026271190754 Energy: 0.9214684614572769 Energy: 0.8783252246264135 Energy: 0.8978026271190754 Energy: 0.9645609222177697 Energy: 0.8783252246264135 Energy: 0.8978026271207981 Energy: 0.9214684614589995 Energy: 1.134104670740206 Energy: 0.946587013346989 Energy: 1.0917118382224063 Energy: 1.134104670740206 Energy: 0.9465870133452664 Energy: 1.0917118382206839 Energy: 1.134104670740206 Energy: 0.9465870133452664 Energy: 1.0917118382206839 Energy: 1.1341046707419287 Energy: 0.9852275472841658 Energy: 0.9940973410241326 Energy: 0.8713462285236461 Energy: 0.9850598633968456 Energy: 0.9940973410258552 Energy: 0.8713462285236461 Energy: 0.9852275472824432 Energy: 0.9940973410258552 Energy: 0.8713462285253686 Energy: 0.9850598633985682 Energy: 0.9317856142394212 Energy: 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======================================== Energy: 1.0082965521295426 Energy: 1.170996061890379 Energy: 1.1710058605743732 Energy: 1.0082965521292906 Energy: 1.170996061890379 Energy: 1.1710058605743732 Energy: 1.0082965521292906 Energy: 1.170996061890379 Energy: 1.1710058605746252 Energy: 1.0082965521292906 Energy: 0.9690935808776832 Energy: 0.9978934209356796 Energy: 0.9890802299266522 Energy: 0.9690935808776832 Energy: 0.9978934209359317 Energy: 0.9890802299266522 Energy: 0.9690935808779353 Energy: 0.9978934209359317 Energy: 0.9890802299251393 Energy: 0.9690935808776832 Energy: 0.9101848082399949 Energy: 0.9553272168071933 Energy: 0.9451145044947207 Energy: 0.9101848082399949 Energy: 0.9553272168071933 Energy: 0.9451145044944455 Energy: 0.9101848082415079 Energy: 0.9553272168071933 Energy: 0.9451145044947207 Energy: 0.9101848082410037 Energy: 0.9633864831733351 Energy: 0.9563094764682829 Energy: 1.1146459006600893 Energy: 0.9633864831731058 Energy: 0.9563094764682829 Energy: 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1.1543025174605466 Energy: 0.9968766472369479 Energy: 1.1517443367466826 Energy: 1.0081403126789306 Energy: 1.0171680078730547 Energy: 1.1517443367464304 Energy: 1.0081403126789306 Energy: 1.0171680078730547 Energy: 1.1517443367464304 Energy: 1.0081403126784263 Energy: 1.0171680078730547 Energy: 1.1517443367459261 Energy: 1.038892234373219 Energy: 1.1601693396588806 Energy: 1.0006896362536657 Energy: 1.0388922343737235 Energy: 1.1601693396591557 Energy: 1.0006896362534137 Energy: 1.0388922343734712 Energy: 1.1601693396588806 Energy: 1.0006896362536657 Energy: 1.0388922343727145 Energy: 0.9634066679153074 Energy: 1.1145458555399936 Energy: 0.9563867199789261 Energy: 0.9634066679155365 Energy: 1.1145458555397414 Energy: 0.9563867199784218 Energy: 0.9634066679153074 Energy: 1.1145458555397414 Energy: 0.956386719978674 Energy: 0.9634066679155365 minimum gb energy = 0.9000497032041742 eV minimum distance = 2.27615462321957 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.8394488091645507 Energy: 0.9579688000115303 Energy: 0.9581885723085204 Energy: 0.8394488091650064 Energy: 0.9579688000110745 Energy: 0.9581885723103433 Energy: 0.8394488091645507 Energy: 0.9579688000115303 Energy: 0.9581885723080645 Energy: 0.839448809164095 Energy: 0.9584500175211629 Energy: 0.8395894740635355 Energy: 0.9614115505586769 Energy: 0.9584500175207071 Energy: 0.8395894740635355 Energy: 0.9614115505586769 Energy: 0.9584500175207071 Energy: 0.8395894740635355 Energy: 0.9614115505582211 Energy: 0.9584500175207071 Energy: 0.9563709023807322 Energy: 0.8388815084035173 Energy: 1.0363542445138145 Energy: 0.9563709023807322 Energy: 0.8388815084048845 Energy: 1.0363542445119915 Energy: 0.9563709023807322 Energy: 0.8388815084053403 Energy: 1.036354244512447 Energy: 0.9563709023807322 Energy: 1.036292660852871 Energy: 0.8382100012215447 Energy: 0.9562512233149691 Energy: 1.036292660851504 Energy: 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0.971551990649679 Energy: 0.9501886318472049 Energy: 0.9961278696588282 Energy: 0.971551990649679 Energy: 0.9501886318472049 Energy: 0.9961278696608941 Energy: 0.971551990649679 Energy: 0.950188631845139 Energy: 0.9184568548035745 Energy: 0.9888428154109469 Energy: 1.0172607015617716 Energy: 0.9184568548056405 Energy: 0.9888428154109469 Energy: 1.0172607015617716 Energy: 0.9184568548035745 Energy: 0.9888428154109469 Energy: 1.0172607015617716 Energy: 0.9184568548015086 minimum gb energy = 0.9038885072716936 eV minimum distance = 2.27110433507352 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9701943615846217 Energy: 1.0094732183252813 Energy: 1.1083307952103212 Energy: 0.9415397647219155 Energy: 1.0094732183245285 Energy: 1.1083307952110737 Energy: 0.9701943615868797 Energy: 1.0094732183252813 Energy: 1.1083307952103212 Energy: 0.9415397647219155 Energy: 1.1276292447053533 Energy: 0.924047200408944 Energy: 1.035028245969376 Energy: 1.1276292447061058 Energy: 0.9240472004074386 Energy: 1.035028245969376 Energy: 1.1276292447053533 Energy: 0.924047200406686 Energy: 1.035028245969376 Energy: 1.1276292447053533 Energy: 1.055989676779605 Energy: 0.9361226611610959 Energy: 1.1300799096805099 Energy: 1.055989676779605 Energy: 0.9361226611603432 Energy: 1.130079909679757 Energy: 1.0559896767788526 Energy: 0.9361226611603432 Energy: 1.1300799096790044 Energy: 1.055989676779605 Energy: 0.9666269131986586 Energy: 1.0276231905971982 Energy: 0.9704357644142536 Energy: 0.9666269131994113 Energy: 1.0276231905964455 Energy: 0.9704357644157589 Energy: 0.9666269131986586 Energy: 1.0276231905971982 Energy: 0.9704357644150061 Energy: 0.9666269131994113 Energy: 1.0984569484264421 Energy: 0.9358827997900528 Energy: 1.3119750884279082 Energy: 1.098456948427195 Energy: 0.9358827997893002 Energy: 1.3119750884271557 Energy: 1.0984569484256899 Energy: 0.9358827997900528 Energy: 1.311975088426403 Energy: 1.0984569484256899 Energy: 1.0085481571532795 Energy: 1.0825034299774856 Energy: 0.9239361566308261 Energy: 1.0085481571532795 Energy: 1.0825034299774856 Energy: 0.9239361566308261 Energy: 1.0085481571532795 Energy: 1.0825034299759804 Energy: 0.9239361566293206 Energy: 1.0085481571540322 Energy: 1.0880297492388669 Energy: 0.9836640691304764 Energy: 0.9315936372816975 Energy: 1.088029749240372 Energy: 0.9836640691304764 Energy: 0.9367378890543191 Energy: 1.1110216520993785 Energy: 0.9836640691304764 Energy: 0.9315936372816975 Energy: 1.088029749240372 Energy: 0.9451451502809786 Energy: 0.9978044403817635 Energy: 0.9747875878382802 Energy: 0.9451451502809786 Energy: 0.9978044403817635 Energy: 0.9747875878608597 Energy: 0.9451451502809786 Energy: 0.9978044403810108 Energy: 0.9747875878601071 Energy: 0.9451451502817312 Energy: 1.3443424676185949 Energy: 1.01134794737294 Energy: 0.9504866374756699 Energy: 1.3443424676201003 Energy: 1.0113479473736928 Energy: 0.9504866374756699 Energy: 1.3443424676216054 Energy: 1.0113479473736928 Energy: 0.9504866374756699 Energy: 1.3443424676193474 Energy: 1.0006773829502371 Energy: 1.0959308765544582 Energy: 1.1527947181308464 Energy: 0.9728924120062336 Energy: 1.0959308765537055 Energy: 1.152794718131599 Energy: 1.0006773829502371 Energy: 1.0959308765537055 Energy: 1.1527947181308464 Energy: 0.9728924120077387 Energy: 0.9587024018471011 Energy: 0.9591424484931834 Energy: 1.1525298640008002 Energy: 0.9587024018471011 Energy: 0.9591424484924309 Energy: 1.1525298639992947 Energy: 0.9587024018471011 Energy: 0.9591424484939362 Energy: 1.1525298639992947 Energy: 0.9587024018478538 Energy: 1.13381813220038 Energy: 0.9402257015347021 Energy: 1.1965380645586283 Energy: 1.133818132198122 Energy: 0.9402257015331968 Energy: 1.196538064557123 Energy: 1.1338181321973693 Energy: 0.9402257015339496 Energy: 1.1965380645586283 Energy: 1.133818132198122 Energy: 0.9516354180274761 Energy: 1.1836563381857368 Energy: 0.9527217032352611 Energy: 0.9513022873731747 Energy: 1.1836563381857368 Energy: 0.9612383926311213 Energy: 0.9516354180274761 Energy: 1.1836563381857368 Energy: 0.9527217032367321 Energy: 0.9513022873731747 Energy: 0.9481579695743705 Energy: 0.969720245623509 Energy: 1.0473110828583823 Energy: 0.9481579695743705 Energy: 0.9697202456242615 Energy: 1.047311082854619 Energy: 0.9481579695751232 Energy: 0.969720245623509 Energy: 1.047311082856877 Energy: 0.9481579695751232 minimum gb energy = 0.9239361566293206 eV minimum distance = 2.29507661376989 Angstroms sigma value = 33