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: EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003 ==== 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 -2.703816 0.1882 BFGS: 1 17:59:25 -2.705217 0.1596 BFGS: 2 17:59:25 -2.709385 0.0357 BFGS: 3 17:59:25 -2.709674 0.0089 BFGS: 4 17:59:25 -2.709692 0.0006 BFGS: 5 17:59:25 -2.709692 0.0000 BFGS: 6 17:59:25 -2.709692 0.0000 BFGS: 7 17:59:25 -2.709692 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.258638208927658e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5316698481273616, 1.2054116608142339e-32, -4.0227833072386434e-33], [2.035192767134742e-32, 3.5316698481273616, -2.761100033082916e-18], [-1.4435806170539452e-32, -2.761100033082907e-18, 3.5316698481273616]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [1.25863821e-10 1.25863821e-10 1.25863821e-10 5.04569277e-27 1.28676442e-35 2.07537722e-52] energy per atom = -1.102580034001754 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0