element(s): ['In'] AFLOW prototype label: A_tI2_139_a 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: ['3.2972', '1.488839'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['In'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[3.2972, 0, 0], [0, 3.2972, 0], [0, 0, 4.909]] ========================================= Step Time Energy fmax BFGS: 0 09:48:04 -5.016272 0.161217 BFGS: 1 09:48:04 -5.017298 0.138634 BFGS: 2 09:48:04 -5.020090 0.008380 BFGS: 3 09:48:04 -5.020096 0.001300 BFGS: 4 09:48:04 -5.020096 0.001542 BFGS: 5 09:48:04 -5.020096 0.002315 BFGS: 6 09:48:04 -5.020097 0.003327 BFGS: 7 09:48:04 -5.020099 0.005105 BFGS: 8 09:48:04 -5.020104 0.007827 BFGS: 9 09:48:04 -5.020114 0.011722 BFGS: 10 09:48:04 -5.020130 0.014372 BFGS: 11 09:48:04 -5.020148 0.011448 BFGS: 12 09:48:04 -5.020167 0.001311 BFGS: 13 09:48:04 -5.020167 0.000057 BFGS: 14 09:48:04 -5.020167 0.000005 BFGS: 15 09:48:04 -5.020167 0.000000 BFGS: 16 09:48:04 -5.020167 0.000000 Minimization converged after 16 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.73669548875436e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['In', 'In'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.235007228889337, 5.959920177831404e-38, 3.1153605304865034e-33], [-2.4014323392599792e-37, 3.235007228889337, -8.079105693016553e-18], [3.809880923941279e-33, -1.1904046690738939e-17, 4.981163531972808]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 6.73669549e-11 6.73669549e-11 5.90891186e-11 -7.08188164e-27 5.56256045e-44 2.84207797e-60] energy per atom = -2.510083627370942 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0