Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001 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=3.9946083426475534 cohesive_energy=3.2851228778493895 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: -6.30324146298057e-20 eV ======================================== theta = 0.0 ======================================== Energy: 0.011756906504671904 Energy: 0.1573694578199322 Energy: 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Energy: 0.01348862321774399 Energy: 0.15542665359035834 Energy: 0.011756906504671904 Energy: 0.1573694578199322 Energy: 0.1573694578199322 Energy: 0.011756906504671904 Energy: 0.1573694578199322 Energy: 0.1573694578199322 Energy: 0.011756906504671904 Energy: 0.1573694578199322 Energy: 0.1573694578199322 Energy: 0.011756906505855735 Energy: 0.15542665359035834 Energy: 0.01348862321774399 Energy: 0.15577403964417288 Energy: 0.1554266535915422 Energy: 0.01348862321774399 Energy: 0.15577403964417288 Energy: 0.15542665359035834 Energy: 0.01348862321774399 Energy: 0.15577403964417288 Energy: 0.15542665359035834 Energy: 0.5539537503962656 Energy: 0.012177218594571335 Energy: 0.12500866494659232 Energy: 0.20703282702803616 Energy: 0.012177218594571335 Energy: 0.012177218594571335 Energy: 0.550270571780466 Energy: 0.012177218594571335 Energy: 0.012177218594571335 Energy: 0.3364248928335872 minimum gb energy = 0.011756906504671904 eV minimum distance = 2.55918402243401 Angstroms sigma value = 3 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0.5273343633698007 Energy: 0.5272951847592874 Energy: 0.5220472744674525 Energy: 0.5843200518514076 Energy: 0.5272951847592874 Energy: 0.5220472744674525 Energy: 0.5843200518514076 Energy: 0.5272951847592874 Energy: 0.5220472744674525 Energy: 0.5843200518497105 Energy: 0.5272951847592874 Energy: 0.5196754014676481 Energy: 0.5309334266062419 Energy: 0.5184708627497744 Energy: 0.5196754014676481 Energy: 0.5309334266062419 Energy: 0.5184709809691572 Energy: 0.5196754014676481 Energy: 0.5309334266062419 Energy: 0.5184708627480774 Energy: 0.5196754014676481 Energy: 0.5104697675181681 Energy: 0.5318036012556587 Energy: 0.5544399520106912 Energy: 0.5104697675181681 Energy: 0.5318036012556587 Energy: 0.5544399520106912 Energy: 0.5104697675181681 Energy: 0.5318036012556587 Energy: 0.5544399520106912 Energy: 0.5104697675181681 Energy: 0.5269995657081016 Energy: 0.5781297076227352 Energy: 0.589762890568515 Energy: 0.5269995657081016 Energy: 0.5781297076227352 Energy: 0.589762890570212 Energy: 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Energy: 0.48238498950862757 Energy: 0.4752615605386742 Energy: 0.4787632477007972 Energy: 0.48238498950862757 minimum gb energy = 0.472786103280622 eV minimum distance = 2.52359466185646 Angstroms sigma value = 33