element(s): ['Mg'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.1895', '1.6237655'] model name: EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[3.1895, 0, 0], [-1.59475, 2.7621880253705, 0], [0, 0, 5.179]] ========================================= Step Time Energy fmax BFGS: 0 14:59:13 -3.057303 0.0201 BFGS: 1 14:59:13 -3.057314 0.0182 BFGS: 2 14:59:13 -3.057367 0.0073 BFGS: 3 14:59:13 -3.057367 0.0068 BFGS: 4 14:59:13 -3.057372 0.0004 BFGS: 5 14:59:13 -3.057372 0.0001 BFGS: 6 14:59:13 -3.057372 0.0000 BFGS: 7 14:59:13 -3.057372 0.0000 BFGS: 8 14:59:13 -3.057372 0.0000 Minimization converged after 8 steps. Maximum force component: 2.8618680651710857e-33 eV/Angstrom Maximum stress component: 2.0536090418425435e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[3.1842146923562087, -1.8406998306313367e-19, 9.798306913109281e-38], [-1.5921073461781043, 2.7576108146841274, 2.9284964941158555e-37], [-3.1277907305360345e-37, -6.507962473240868e-39, 5.184423545494114]]) forces = [[-2.86186807e-33 2.12438610e-33 1.75280890e-70] [ 2.86186807e-33 -2.12438610e-33 -1.75280890e-70]] stress = [ 2.05360904e-12 2.05360904e-12 1.82537105e-12 1.43693049e-34 9.58464726e-49 -7.53622538e-29] energy per atom = -1.5286860709848633 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0