Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_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=4.0320824623107905 cohesive_energy=3.3602642540255827 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: 0.010444205296233258 Energy: 0.010956417204617238 Energy: 0.010956417204617238 Energy: 0.010956417204617238 Energy: 0.010956417204617238 Energy: 0.413144079829247 Energy: 0.010956417204617238 Energy: 0.413144079829247 Energy: 0.413144079829247 Energy: 0.010956417204617238 Energy: 0.010444205296233258 Energy: 0.010956417204617238 Energy: 0.010956417204617238 Energy: 0.413144079829247 Energy: 0.010956417204617238 Energy: 0.413144079829247 minimum gb energy = 0.010444205296233258 eV minimum distance = 2.78872729485309 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5225154147867014 Energy: 0.5243042985398643 Energy: 0.5243042985398643 Energy: 0.5243042985398643 Energy: 0.5059190775040273 Energy: 0.5264737395199274 Energy: 0.5083953378007167 Energy: 0.5264737395199274 Energy: 0.486792639959577 Energy: 0.51359338216805 Energy: 0.5152984256172404 Energy: 0.51359338216805 Energy: 0.5036077406366894 Energy: 0.5384779666915079 Energy: 0.4940820730734049 Energy: 0.5384779666915079 Energy: 0.5035117166583916 Energy: 0.5286888977474444 Energy: 0.5102200644928849 Energy: 0.5286888977474444 Energy: 0.4923658601313565 Energy: 0.5863254846383303 Energy: 0.4838640644647023 Energy: 0.5863254846377189 Energy: 0.5263997130046218 Energy: 0.5137720294587571 Energy: 0.4924181917879982 Energy: 0.5137720294587571 Energy: 0.4785712648165217 Energy: 0.528084794125306 Energy: 0.47944400315528557 Energy: 0.528084794125306 Energy: 0.493636419418201 Energy: 0.5981005456104822 Energy: 0.5567048693680258 Energy: 0.5981005456110937 Energy: 0.48578868550831145 Energy: 0.5129241462147851 Energy: 0.47121753355668666 Energy: 0.5129241462141737 Energy: 0.5109285987978672 Energy: 0.5229212270629185 Energy: 0.4936806947009116 Energy: 0.5229212270629185 Energy: 0.5197066743813095 Energy: 0.5284820639064264 Energy: 0.498003691773802 Energy: 0.5284820639064264 Energy: 0.5185039282102154 Energy: 0.5116969876462245 Energy: 0.5266192630715664 Energy: 0.5116969876462245 Energy: 0.5145353892393307 Energy: 0.5227080789812323 Energy: 0.4930386291126956 Energy: 0.5227080789812323 Energy: 0.49485070169298345 Energy: 0.5247547585579724 Energy: 0.49509542894382935 Energy: 0.524754758557361 Energy: 0.49921759447141306 Energy: 0.5248764118220213 Energy: 0.5097728579568483 Energy: 0.5248764118220213 Energy: 0.5153750540384757 Energy: 0.5135493480716431 Energy: 0.4820970897294742 Energy: 0.5135493480716431 Energy: 0.5083240484159146 Energy: 0.5149432117879122 Energy: 0.5211938331960415 Energy: 0.5149432117891352 Energy: 0.4738472595587377 Energy: 0.526926579260372 Energy: 0.5033152867009559 Energy: 0.5269265792609833 Energy: 0.5694934906938942 Energy: 0.5874269868549202 Energy: 0.4946942066007207 Energy: 0.5874269868561431 Energy: 0.4834439442360658 Energy: 0.5134861672069012 Energy: 0.4719072634914824 Energy: 0.5134861672069012 Energy: 0.49395403822207445 Energy: 0.5816225456268703 Energy: 0.5633543024550508 Energy: 0.5816225456274818 Energy: 0.5572338747645852 Energy: 0.5289043265509202 Energy: 0.4827795679359345 Energy: 0.5289043265509202 Energy: 0.5353502140108448 Energy: 0.5136313636563453 Energy: 0.49238676535322 Energy: 0.5136313636569567 Energy: 0.4924794658022117 Energy: 0.5858687695554036 Energy: 0.5725032823877908 Energy: 0.5858687695554036 Energy: 0.5038328705040559 Energy: 0.5287089513184889 Energy: 0.4933789731807463 Energy: 0.5287089513184889 Energy: 0.4961984439430706 Energy: 0.5959983226464232 Energy: 0.49359378815071836 Energy: 0.5959983226458118 Energy: 0.48814673387260016 Energy: 0.5116461616890954 Energy: 0.516179769333958 Energy: 0.5116461616897068 Energy: 0.5054708277508044 Energy: 0.515529301283998 Energy: 0.503406296460567 Energy: 0.5155293012833865 Energy: 0.5341821753962195 Energy: 0.5250069753532738 Energy: 0.5181343820033915 Energy: 0.5250069753520509 Energy: 0.5077403376599874 Energy: 0.519754709322351 Energy: 0.507624067288505 Energy: 0.519754709322351 Energy: 0.49453104324056235 Energy: 0.5159178032721353 Energy: 0.5141770220830845 Energy: 0.5159178032709124 Energy: 0.5035708167054256 Energy: 0.538845065715903 Energy: 0.4960896869160825 Energy: 0.538845065715903 minimum gb energy = 0.47121753355668666 eV minimum distance = 2.59838165804941 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5683706390754644 Energy: 0.5625657812764066