element(s): ['Ga', 'N'] AFLOW prototype label: AB_hP4_194_c_b 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: ['3.1989', '2.3743162'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ga', 'N'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ] [0. 0. 0.25 ]] spacegroup = 194 cell = [[3.1989, 0, 0], [-1.59945, 2.770328664166, 0], [0, 0, 7.5952]] ========================================= Step Time Energy fmax BFGS: 0 15:50:36 -7.956561 4.3522 BFGS: 1 15:50:36 -8.374050 3.3811 BFGS: 2 15:50:36 -8.709202 2.5250 BFGS: 3 15:50:36 -8.972867 1.7724 BFGS: 4 15:50:36 -9.174972 1.4753 BFGS: 5 15:50:36 -9.470546 10.8354 BFGS: 6 15:50:36 -10.197637 0.6040 BFGS: 7 15:50:36 -10.219929 0.3600 BFGS: 8 15:50:36 -10.233012 0.0280 BFGS: 9 15:50:36 -10.233096 0.0015 BFGS: 10 15:50:36 -10.233097 0.0000 BFGS: 11 15:50:36 -10.233097 0.0000 Minimization converged after 11 steps. Maximum force component: 6.229030705698803e-31 eV/Angstrom Maximum stress component: 7.61010987870728e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ga', 'Ga', 'N', 'N'] basis = [[3.33333330e-01 6.66666670e-01 2.50000000e-01] [6.66666663e-01 3.33333337e-01 7.50000000e-01] [9.99999997e-01 3.33333346e-09 2.50000000e-01] [9.99999997e-01 3.33333346e-09 7.50000000e-01]] cellpar = Cell([[3.4456296056374516, 2.245235015320711e-17, 5.434351223736998e-36], [-1.7228148028187258, 2.98400277051379, 8.059760148527857e-36], [2.9688834477679994e-36, 8.109714031253152e-35, 8.00364387218157]]) forces = [[ 4.24706639e-32 -7.35613477e-32 7.71788893e-66] [-6.22903071e-31 2.94245391e-31 8.02625066e-68] [ 1.55725768e-31 -7.35613477e-32 -8.33247185e-66] [-1.13255104e-31 -7.37990886e-49 -1.78622801e-67]] stress = [-7.61010988e-11 -7.61010988e-11 2.23619236e-52 -5.16099551e-34 -2.97970215e-34 1.88133440e-26] energy per atom = -2.558274140640369 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0