Model name: model_name=EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.032082897424699 cohesive_energy=3.3602642542189236 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.010444207953426219 Energy: 0.010956138431205197 Energy: 0.010956138431205197 Energy: 0.010956138431205197 Energy: 0.010956138430701031 Energy: 0.41314355077376275 Energy: 0.010956138430701031 Energy: 0.41314355077376275 Energy: 0.41314355077376275 Energy: 0.010956138430701031 Energy: 0.010444207953426219 Energy: 0.010956138430701031 Energy: 0.010956138430701031 Energy: 0.4131435507732865 Energy: 0.010956138430701031 Energy: 0.41314355077376275 minimum gb energy = 0.010444207953426219 eV minimum distance = 2.78873580577782 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5225160129737851 Energy: 0.5243054360338216 Energy: 0.5243054360338216 Energy: 0.5243054360338216 Energy: 0.5059178508307486 Energy: 0.5264740683713599 Energy: 0.5083973851572978 Energy: 0.5264740683713599 Energy: 0.48873347512218346 Energy: 0.513593511394456 Energy: 0.5153004453091475 Energy: 0.5135935113950674 Energy: 0.5036078352743958 Energy: 0.5384787685085471 Energy: 0.4940824423265215 Energy: 0.5384787685091588 Energy: 0.5035117856095752 Energy: 0.5286903630224139 Energy: 0.5102214151278319 Energy: 0.5286903630218024 Energy: 0.4923658715340905 Energy: 0.5863255980220213 Energy: 0.48386397900626277 Energy: 0.5863255980214098 Energy: 0.5263998159812848 Energy: 0.5137721603346996 Energy: 0.4924327319105172 Energy: 0.5137721603340881 Energy: 0.4785717326727702 Energy: 0.5280855039212841 Energy: 0.4794438142146617 Energy: 0.5280855039212841 Energy: 0.49375823694075494 Energy: 0.5981007990841974 Energy: 0.560664285392553 Energy: 0.598100799083586 Energy: 0.48578903389039146 Energy: 0.5129248120978449 Energy: 0.47121765864949794 Energy: 0.5129248120978449 Energy: 0.5054898300526415 Energy: 0.5229215433293312 Energy: 0.49367964793363645 Energy: 0.5229215433287198 Energy: 0.5197064179601677 Energy: 0.5284826236312128 Energy: 0.49800313825758113 Energy: 0.5284826236312128 Energy: 0.5185048859155488 Energy: 0.5116974729223467 Energy: 0.5265035255697549 Energy: 0.5116974729223467 Energy: 0.5145361731224251 Energy: 0.5227084670816837 Energy: 0.4930391717452914 Energy: 0.5227084670816837 Energy: 0.49485272523228324 Energy: 0.524755055186657 Energy: 0.49507135597981966 Energy: 0.5247550551860456 Energy: 0.4992180546550233 Energy: 0.5248769407009787 Energy: 0.5097737154895082 Energy: 0.5248769407003672 Energy: 0.515375234258019 Energy: 0.5135495921883215 Energy: 0.4820972079392904 Energy: 0.5135495921895444 Energy: 0.5083232658064846 Energy: 0.5149433282324131 Energy: 0.5211897425300723 Energy: 0.5149433282330246 Energy: 0.49420004372636317 Energy: 0.5269271462332767 Energy: 0.5033149380569463 Energy: 0.5269271462332767 Energy: 0.5694924379695229 Energy: 0.5874204672405188 Energy: 0.4946940070763732 Energy: 0.5874204672411303 Energy: 0.48344424276762155 Energy: 0.5134863778240183 Energy: 0.47472953166986526 Energy: 0.5134863778246297 Energy: 0.4939511086039743 Energy: 0.58162036105621 Energy: 0.5633545400536872 Energy: 0.5816203610555984 Energy: 0.5620444466044809 Energy: 0.528904718189626 Energy: 0.4827866810243473 Energy: 0.5289047181902374 Energy: 0.5353516411050486 Energy: 0.5136315238073632 Energy: 0.49236337304494926 Energy: 0.5136315238079745 Energy: 0.4924801290238245 Energy: 0.5858695024912322 Energy: 0.5725037416278389 Energy: 0.5858695024912322 Energy: 0.5038346098659068 Energy: 0.5287115574179108 Energy: 0.49338073078595346 Energy: 0.5287115574179108 Energy: 0.5003182224440947 Energy: 0.5959984945184872 Energy: 0.49358981579757455 Energy: 0.5959984945178758 Energy: 0.48814635022851843 Energy: 0.5116463892979679 Energy: 0.5165653866724772 Energy: 0.5116463892979679 Energy: 0.5054701742494119 Energy: 0.5155301003710697 Energy: 0.4940999490146516 Energy: 0.5155301003710697 Energy: 0.5341823850696472 Energy: 0.5250074610452834 Energy: 0.5181341300738976 Energy: 0.5250074610452834 Energy: 0.5022274420160656 Energy: 0.5197551684382562 Energy: 0.5076234711035145 Energy: 0.5197551684382562 Energy: 0.49453115752407234 Energy: 0.5159180979297405 Energy: 0.5141794116117696 Energy: 0.515918097930352 Energy: 0.5035712460013122 Energy: 0.5388453948643284 Energy: 0.49609106069192327 Energy: 0.5388453948649399 minimum gb energy = 0.47121765864949794 eV minimum distance = 2.59847817652537 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.56837141204653 Energy: 0.5625662454988802