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 14:59:23 -3.292483 0.0870 BFGS: 1 14:59:24 -3.292785 0.0836 BFGS: 2 14:59:24 -3.296474 0.0051 BFGS: 3 14:59:24 -3.296484 0.0018 BFGS: 4 14:59:24 -3.296484 0.0020 BFGS: 5 14:59:24 -3.296484 0.0021 BFGS: 6 14:59:24 -3.296485 0.0021 BFGS: 7 14:59:24 -3.296486 0.0016 BFGS: 8 14:59:24 -3.296486 0.0007 BFGS: 9 14:59:24 -3.296486 0.0002 BFGS: 10 14:59:24 -3.296486 0.0000 BFGS: 11 14:59:24 -3.296486 0.0000 BFGS: 12 14:59:24 -3.296486 0.0000 BFGS: 13 14:59:24 -3.296486 0.0000 Minimization converged after 13 steps. Maximum force component: 3.9904346563381225e-34 eV/Angstrom Maximum stress component: 1.4817522364988328e-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([[3.1079281995439407, 6.281516363388552e-18, 7.731701566120111e-38], [-1.5539640997719704, 2.6915447739430842, -9.803163913555369e-38], [-4.051296853037551e-38, -3.794042621400608e-37, 5.082431662165959]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.99043466e-34 -8.06517364e-52 -9.92714371e-72]] stress = [-1.48175224e-10 -1.48175224e-10 -9.82161657e-11 9.38590318e-35 3.25137224e-35 6.58260427e-27] energy per atom = -1.6482431813892289 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0