element(s): ['Mg'] 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: ['3.5733'] model name: EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]] ========================================= Step Time Energy fmax BFGS: 0 17:59:25 -2.940347 0.0234 BFGS: 1 17:59:25 -2.940369 0.0203 BFGS: 2 17:59:25 -2.940436 0.0004 BFGS: 3 17:59:25 -2.940436 0.0000 BFGS: 4 17:59:25 -2.940436 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.625222413389504e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.568831288289211, 1.726180682348945e-33, -1.852721846377388e-35], [-2.1058214832086635e-37, 3.568831288289211, -5.561388835555931e-21], [1.2344074395176264e-33, -5.561388835559672e-21, 3.568831288289211]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [7.62522241e-11 7.62522241e-11 7.62522241e-11 1.50255788e-26 7.00022323e-41 6.93184006e-57] energy per atom = -1.4702178181935 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0