element(s): ['Li'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.0565', '1.639326'] model name: MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[3.0565, 0, 0], [-1.52825, 2.6470066466671, 0], [0, 0, 5.0106]] ========================================= Step Time Energy fmax BFGS: 0 15:01:44 -3.292483 0.087028 BFGS: 1 15:01:44 -3.292785 0.083597 BFGS: 2 15:01:44 -3.296474 0.005082 BFGS: 3 15:01:44 -3.296484 0.001802 BFGS: 4 15:01:44 -3.296484 0.001985 BFGS: 5 15:01:44 -3.296484 0.002123 BFGS: 6 15:01:44 -3.296485 0.002091 BFGS: 7 15:01:44 -3.296486 0.001593 BFGS: 8 15:01:44 -3.296486 0.000685 BFGS: 9 15:01:44 -3.296486 0.000197 BFGS: 10 15:01:44 -3.296486 0.000027 BFGS: 11 15:01:44 -3.296486 0.000003 BFGS: 12 15:01:44 -3.296486 0.000000 BFGS: 13 15:01:44 -3.296486 0.000000 Minimization converged after 13 steps. Maximum force component: 1.5961738625352493e-32 eV/Angstrom Maximum stress component: 1.4817523504425775e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[3.107928199543941, 6.35855915590355e-18, -7.721577007400994e-40], [-1.5539640997719706, 2.691544773943084, -6.283658775678799e-39], [-1.7382509285693436e-37, -8.610810010976489e-37, 5.082431662165959]]) forces = [[-1.59617386e-32 1.10586169e-32 -2.34379635e-71] [ 6.38469545e-33 -5.52930846e-33 1.21155475e-71]] stress = [-1.48175235e-10 -1.48175235e-10 -9.82161863e-11 7.50872254e-35 -1.30054889e-34 2.66480373e-26] energy per atom = -1.6482431813892284 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0