element(s): ['Ge'] 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: ['3.3628'] model name: MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3628, 0, 0], [0, 3.3628, 0], [0, 0, 3.3628]] ========================================= Step Time Energy fmax BFGS: 0 16:58:01 -6.764274 1.030484 BFGS: 1 16:58:01 -6.803577 0.743893 BFGS: 2 16:58:01 -6.839007 0.169293 BFGS: 3 16:58:01 -6.840574 0.020206 BFGS: 4 16:58:01 -6.840597 0.000466 BFGS: 5 16:58:01 -6.840597 0.000001 BFGS: 6 16:58:01 -6.840597 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.811459666094843e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.284410303091898, -1.3111637775832256e-32, 9.00761033318131e-33], [2.7546733227058434e-32, 3.284410303091898, 1.443544348073803e-18], [-4.3679306103447834e-33, 1.4435443480738132e-18, 3.284410303091898]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.81145967e-12 4.81145967e-12 4.81145967e-12 -2.36669384e-28 9.52191723e-35 -8.30790595e-51] energy per atom = -3.420298599971595 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0