element(s): ['Li'] 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: ['3.437'] model name: MEAM_LAMMPS_KimJungLee_2012_LiMg__MO_427397414195_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.437, 0, 0], [0, 3.437, 0], [0, 0, 3.437]] ========================================= Step Time Energy fmax BFGS: 0 15:58:51 -3.289476 0.080899 BFGS: 1 15:58:51 -3.289751 0.077620 BFGS: 2 15:58:51 -3.293145 0.014876 BFGS: 3 15:58:51 -3.293503 0.025243 BFGS: 4 15:58:51 -3.296196 0.069715 BFGS: 5 15:58:52 -3.291732 0.109114 BFGS: 6 15:58:52 -3.295919 0.075346 BFGS: 7 15:58:52 -3.293065 0.015336 BFGS: 8 15:58:52 -3.293336 0.018757 BFGS: 9 15:58:52 -3.295148 0.082767 BFGS: 10 15:58:52 -3.293802 0.037578 BFGS: 11 15:58:52 -3.295153 0.073782 BFGS: 12 15:58:52 -3.295468 0.079786 BFGS: 13 15:58:52 -3.296710 0.031612 BFGS: 14 15:58:52 -3.296734 0.030951 BFGS: 15 15:58:52 -3.296778 0.004509 BFGS: 16 15:58:52 -3.296779 0.000523 BFGS: 17 15:58:52 -3.296779 0.000011 BFGS: 18 15:58:52 -3.296779 0.000000 BFGS: 19 15:58:52 -3.296779 0.000000 Minimization converged after 19 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.5380515961453456e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5321110421243143, 1.938084936276034e-33, -2.062639473447618e-33], [4.557046237430555e-33, 3.5321110421243143, 1.5252501120703355e-18], [-1.4699667601342937e-34, 1.5252501120703352e-18, 3.5321110421243143]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.53805160e-14 -5.53805160e-14 -5.53805160e-14 -2.46502489e-31 -8.23323510e-35 -4.36906399e-51] energy per atom = -1.6483893734919828 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0