element(s): ['Al', 'Ni'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8655'] model name: MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]] ========================================= Step Time Energy fmax BFGS: 0 11:17:58 -9.059671 0.144047 BFGS: 1 11:17:58 -9.060444 0.106673 BFGS: 2 11:17:58 -9.061400 0.002298 BFGS: 3 11:17:58 -9.061400 0.000038 BFGS: 4 11:17:58 -9.061400 0.000000 BFGS: 5 11:17:58 -9.061400 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.526723286573877e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8770518474284446, 2.142578138652258e-33, 5.8604661764112336e-33], [1.6699398906492605e-35, 2.8770518474284446, 1.8280040667836198e-20], [-3.4434946336815144e-33, 1.8280040667838343e-20, 2.8770518474284446]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.52672329e-15 -6.52672329e-15 -6.52672329e-15 8.78942757e-31 3.84165022e-63 -3.75605987e-64] energy per atom = -4.530699993828308 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0