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: MEAM_LAMMPS_AhmadGrohGhazisaeidi_2018_MgY__MO_135739722270_002 ==== 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 16:00:35 -2.960783 0.100072 BFGS: 1 16:00:35 -2.961189 0.089463 BFGS: 2 16:00:35 -2.962762 0.003556 BFGS: 3 16:00:35 -2.962764 0.000119 BFGS: 4 16:00:35 -2.962764 0.000000 BFGS: 5 16:00:35 -2.962764 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.8617539546587103e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5500034840938968, -1.5678988747158132e-32, -2.9935766649149116e-33], [-2.2343107951750086e-32, 3.5500034840938968, -4.989632897828954e-18], [-2.0168874547119895e-32, -4.989632897828934e-18, 3.5500034840938968]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.86175395e-13 -2.86175395e-13 -2.86175395e-13 -7.14769461e-29 4.07522563e-35 5.81684471e-51] energy per atom = -1.4813822006071011 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0