Model name: model_name=MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.044650822877884 cohesive_energy=3.360264252923233 mass=26.981538 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: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.1763887641903253 Energy: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.1763887641903253 Energy: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.17638876419148 Energy: 0.011733845923486752 Energy: 0.17602596337247248 Energy: 0.012322483535280617 Energy: 0.17667417539241542 Energy: 0.17602596337247248 Energy: 0.012322483535280617 Energy: 0.1766741753935439 Energy: 0.17602596337247248 Energy: 0.012322483535280617 Energy: 0.1766741753935439 Energy: 0.17602596337247248 Energy: 0.3691840507859944 Energy: 0.17832003054332887 Energy: 0.09184395098166008 Energy: 0.3620453273933163 Energy: 0.35837175112744984 Energy: 0.012496319425948423 Energy: 0.6784824019625998 Energy: 0.10624844944070139 Energy: 0.012496319425948423 Energy: 0.39595421947266013 Energy: 0.17602596337247248 Energy: 0.17667417539241542 Energy: 0.012322483536435334 Energy: 0.17602596337247248 Energy: 0.1766741753935439 Energy: 0.012322483536435334 Energy: 0.17602596337247248 Energy: 0.17667417539241542 Energy: 0.012322483536435334 Energy: 0.17602596337247248 Energy: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.17638876419148 Energy: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.17638876419148 Energy: 0.011733845923486752 Energy: 0.17638876419148 Energy: 0.17638876419148 Energy: 0.011733845923486752 Energy: 0.17602596337247248 Energy: 0.012322483536435334 Energy: 0.1766741753935439 Energy: 0.17602596337247248 Energy: 0.012322483536435334 Energy: 0.1766741753935439 Energy: 0.17602596337247248 Energy: 0.012322483536435334 Energy: 0.1766741753935439 Energy: 0.17602596337247248 Energy: 0.395954192440035 Energy: 0.09184395098050536 Energy: 0.27648563094104645 Energy: 0.3959547250422141 Energy: 0.38541412406585207 Energy: 0.012496319425948423 Energy: 0.39595437453435506 Energy: 0.10624844944070139 Energy: 0.012496319425948423 Energy: 0.3959543475975189 minimum gb energy = 0.011733845923486752 eV minimum distance = 2.63478334327172 Angstroms sigma value = 3 ======================================== theta = 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======================================== theta = 78.46304096718453 ======================================== Energy: 0.5895849624879653 Energy: 0.6751131020587278 Energy: 0.6750882255945612 Energy: 0.5895849624879653 Energy: 0.6751131020587278 Energy: 0.6750882255945612 Energy: 0.5895849624879653 Energy: 0.6751131020596223 Energy: 0.6750882255954557 Energy: 0.5895849624879653 Energy: 0.6152209967456037 Energy: 0.6144221696552333 Energy: 0.6516776978425418 Energy: 0.6152209967456037 Energy: 0.6144221696561278 Energy: 0.6516776978425418 Energy: 0.6152209967456037 Energy: 0.6144221696561278 Energy: 0.6516776978425418 Energy: 0.6152209967456037 Energy: 0.5876826201448474 Energy: 0.6139495502291521 Energy: 0.5997447621535533 Energy: 0.5995940259939649 Energy: 0.6139495502318353 Energy: 0.5998868518052027 Energy: 0.5994473615742495 Energy: 0.6139495502434429 Energy: 0.5998868518141268 Energy: 0.5994473615742495 Energy: 0.6516456225729158 Energy: 0.6148384349294229 Energy: 0.6513676504662018 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energy = 0.6209495375743258 eV minimum distance = 2.50693450581239 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 0.6159557615529311 Energy: 0.6847887159122362 Energy: 0.6848409191028793 Energy: 0.615955761552729 Energy: 0.6847887159088017 Energy: 0.6848409190992427 Energy: 0.615955761552729 Energy: 0.6847887159122362 Energy: 0.6848409191386208 Energy: 0.615955761553133 Energy: 0.6449916661246043 Energy: 0.623639471039056 Energy: 0.6601134777140389 Energy: 0.6449916661246043 Energy: 0.6236394710392581 Energy: 0.6601134777136349 Energy: 0.6449916661246043 Energy: 0.623639471038854 Energy: 0.6601134777136349 Energy: 0.6449916661248064 Energy: 0.6159977490883639 Energy: 0.5962385399484884 Energy: 0.6169170267415659 Energy: 0.6159977490873538 Energy: 0.5962385399494985 Energy: 0.6169170267399495 Energy: 0.6159977490875558 Energy: 0.5962385399488925 Energy: 0.6169170267409596 Energy: 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0.6039621058436948 Energy: 0.6253026906403353 Energy: 0.6050612439158677 Energy: 0.6039621058470053 Energy: 0.5988040432712016 Energy: 0.5921959778058458 Energy: 0.5979419510738019 Energy: 0.5988040432728567 Energy: 0.5921959778075012 Energy: 0.5979419510771123 Energy: 0.5988040432728567 Energy: 0.5921959778091563 Energy: 0.5979419510258 Energy: 0.5988040432728567 Energy: 0.6020568144865511 Energy: 0.6669469526119255 Energy: 0.6898858724908628 Energy: 0.6020568144882062 Energy: 0.6669469526103003 Energy: 0.689885872494143 Energy: 0.6020568144865511 Energy: 0.6669469526103003 Energy: 0.6898858724925179 Energy: 0.6020568144865511 minimum gb energy = 0.5921959778058458 eV minimum distance = 2.52912973670064 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.5780466276200089 Energy: 0.5796383212482693 Energy: 0.5797725665758432 Energy: 0.5780466276194057 Energy: 0.5796383212476662 Energy: 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0.6315110305540278 Energy: 0.65487396214268 Energy: 0.5819414290989569 Energy: 0.5820861144440761 Energy: 0.654873962142077 Energy: 0.5819414290995598 Energy: 0.5820861144446791 Energy: 0.65487396214268 Energy: 0.5819414290983538 Energy: 0.5820861144440761 Energy: 0.65487396214268 Energy: 0.6280142094959059 Energy: 0.6465305089546488 Energy: 0.6509588725506466 Energy: 0.6280142094953028 Energy: 0.6465305089546488 Energy: 0.6509588918831023 Energy: 0.6280142094959059 Energy: 0.6465305089564579 Energy: 0.6509588694735403 Energy: 0.6280142094953028 Energy: 0.5648314618133455 Energy: 0.5679960792440552 Energy: 0.613507328171184 Energy: 0.5648314618127426 Energy: 0.5679960792434521 Energy: 0.6135073281717872 Energy: 0.5648314618139487 Energy: 0.5679960792440552 Energy: 0.6135073281717872 Energy: 0.5648314618145517 Energy: 0.6470511512442324 Energy: 0.5748566155536323 Energy: 0.5825512001535645 Energy: 0.6470511512448355 Energy: 0.5748566155548384 Energy: 0.5825512001547706 Energy: 0.6470511512442324 Energy: 0.5748566155536323 Energy: 0.5825512001547706 Energy: 0.6470511512448355 Energy: 0.5820085313953213 Energy: 0.6158173947784494 Energy: 0.582158007949595 Energy: 0.5820085313953213 Energy: 0.6158173947790524 Energy: 0.5821580079501981 Energy: 0.5820085313953213 Energy: 0.6158173947778464 Energy: 0.582158007949595 Energy: 0.5820085313947455 Energy: 0.5783224771200683 Energy: 0.5879869058873621 Energy: 0.6246405373753433 Energy: 0.5783224771242622 Energy: 0.5879869058873621 Energy: 0.6246405373753433 Energy: 0.5783224771236591 Energy: 0.5879869058879652 Energy: 0.6246405373753433 Energy: 0.57832247712185 minimum gb energy = 0.5622610067443133 eV minimum distance = 2.53751649687969 Angstroms sigma value = 33