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 17:55:50 -6.764274 1.0305 BFGS: 1 17:55:50 -6.803577 0.7439 BFGS: 2 17:55:50 -6.839007 0.1693 BFGS: 3 17:55:50 -6.840574 0.0202 BFGS: 4 17:55:50 -6.840597 0.0005 BFGS: 5 17:55:50 -6.840597 0.0000 BFGS: 6 17:55:50 -6.840597 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.812311733279989e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.284410303091899, 4.816337985754153e-33, 3.362736423750853e-33], [-5.001449103051825e-33, 3.284410303091899, 1.7883857152401285e-18], [4.1197254501670324e-33, 1.788385715240127e-18, 3.284410303091899]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.81231173e-12 4.81231173e-12 4.81231173e-12 -3.30241236e-29 -2.28526013e-33 4.08750515e-51] energy per atom = -3.420298599971603 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0