element(s): ['Al'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.233'] model name: EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 16:46:09 -6.568122 0.516166 BFGS: 1 16:46:09 -6.579042 0.469771 BFGS: 2 16:46:09 -6.613712 0.081454 BFGS: 3 16:46:09 -6.614285 0.028139 BFGS: 4 16:46:09 -6.614368 0.000914 BFGS: 5 16:46:09 -6.614369 0.000011 BFGS: 6 16:46:09 -6.614369 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.6125676714262903e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1490304641673665, 4.587985570212638e-33, -1.1148832627183723e-33], [5.539542231083014e-33, 3.1490304641673665, 2.1954246724343864e-19], [1.6411263124162084e-33, 2.1954246724343633e-19, 3.1490304641673665]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.61256767e-10 2.61256767e-10 2.61256767e-10 4.38911338e-27 -5.17911428e-35 -1.28883323e-51] energy per atom = -3.307184259908351 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0