Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_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=4.032082748413087 cohesive_energy=3.3602642540094405 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: 0.010444211889994165 Energy: 0.010957272012240506 Energy: 0.010957272012240506 Energy: 0.010957272012240506 Energy: 0.01095727201173634 Energy: 0.4131437567165828 Energy: 0.010957272012240506 Energy: 0.4131437567165828 Energy: 0.4131437567165828 Energy: 0.010957272012240506 Energy: 0.010444211889994165 Energy: 0.010957272012240506 Energy: 0.010957272012240506 Energy: 0.4131437567165828 Energy: 0.010957272012240506 Energy: 0.4131437567165828 minimum gb energy = 0.010444211889994165 eV minimum distance = 2.78873502222086 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5225090622700509 Energy: 0.5242968567268799 Energy: 0.5242968567268799 Energy: 0.5242968567262684 Energy: 0.506102150244646 Energy: 0.5264707062185651 Energy: 0.5083414906818586 Energy: 0.5264707062191764 Energy: 0.4867887915112494 Energy: 0.5135953970548048 Energy: 0.5153257867780776 Energy: 0.5135953970541933 Energy: 0.5036129446668598 Energy: 0.5384779165983453 Energy: 0.494075917075684 Energy: 0.5384779165977339 Energy: 0.5035108218815155 Energy: 0.5287075906456283 Energy: 0.5149993566829725 Energy: 0.5287075906456283 Energy: 0.49225109268981554 Energy: 0.5863274574995043 Energy: 0.48385658342872495 Energy: 0.5863274574995043 Energy: 0.526432241163462 Energy: 0.5137744813685438 Energy: 0.4923473148739227 Energy: 0.5137744813691553 Energy: 0.4785741452337887 Energy: 0.5280861171999262 Energy: 0.47944182245163214 Energy: 0.5280861171987034 Energy: 0.49361373426375127 Energy: 0.5981010130230177 Energy: 0.5567045527792948 Energy: 0.5981010130217947 Energy: 0.485791726276658 Energy: 0.5129246052158384 Energy: 0.47121900433434033 Energy: 0.5129246052158384 Energy: 0.5054793118752183 Energy: 0.5227097688173756 Energy: 0.493701280423377 Energy: 0.5227097688173756 Energy: 0.519705394918611 Energy: 0.5284822522625502 Energy: 0.4979593682394721 Energy: 0.5284822522619388 Energy: 0.5184695388332431 Energy: 0.5116987398775678 Energy: 0.5264981363683489 Energy: 0.5116987398775678 Energy: 0.5145282362276294 Energy: 0.5227105359236142 Energy: 0.49303258379394255 Energy: 0.5227105359248371 Energy: 0.49484896483279006 Energy: 0.5247524493057771 Energy: 0.4949357781304731 Energy: 0.5247524493045542 Energy: 0.49921642679627953 Energy: 0.5248758106272728 Energy: 0.5097661292534765 Energy: 0.5248758106284958 Energy: 0.5153727464162401 Energy: 0.5135495526360618 Energy: 0.4781099595772706 Energy: 0.5135495526354504 Energy: 0.5083314335009642 Energy: 0.5149441643674755 Energy: 0.5211636870941775 Energy: 0.5149441643674755 Energy: 0.5146004927312012 Energy: 0.5269271423526061 Energy: 0.5033127819118869 Energy: 0.5269271423532175 Energy: 0.5695136712753298 Energy: 0.5873949046567604 Energy: 0.49464686351683085 Energy: 0.5873949046549259 Energy: 0.48344389261559395 Energy: 0.5134869514647094 Energy: 0.47287623009710145 Energy: 0.5134869514647094 Energy: 0.4939562290849089 Energy: 0.5815754552393355 Energy: 0.5633546420252898 Energy: 0.5815754552393355 Energy: 0.5620442150758096 Energy: 0.5289042213130899 Energy: 0.4826479293172347 Energy: 0.5289042213130899 Energy: 0.5353576620708698 Energy: 0.5136294548653338 Energy: 0.4923210836208476 Energy: 0.5136294548647224 Energy: 0.4924754386935923 Energy: 0.5858799581839764 Energy: 0.5725042155382397 Energy: 0.5858799581851992 Energy: 0.5038329182452576 Energy: 0.5286990133907756 Energy: 0.49336673427909034 Energy: 0.528699013391387 Energy: 0.5003152260747065 Energy: 0.5959966212741563 Energy: 0.49355197456581656 Energy: 0.5959966212747678 Energy: 0.488146939177711 Energy: 0.511646398463604 Energy: 0.5166649794112971 Energy: 0.5116463984642153 Energy: 0.5054422075566262 Energy: 0.5155201130965772 Energy: 0.49410754088675607 Energy: 0.5155201130978001 Energy: 0.5342016458040184 Energy: 0.5250085624156657 Energy: 0.5181305475097557 Energy: 0.5250085624156657 Energy: 0.5023631774840361 Energy: 0.5197528492385688 Energy: 0.5077832434436022 Energy: 0.5197528492385688 Energy: 0.49453922027501174 Energy: 0.5159192120950815 Energy: 0.5144803511161105 Energy: 0.5159192120950815 Energy: 0.5035728468197279 Energy: 0.5388459578708755 Energy: 0.49610506868339055 Energy: 0.5388459578714869 minimum gb energy = 0.47121900433434033 eV minimum distance = 2.59865386037368 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.568367515045772 Energy: 0.5625652974628469