element(s): ['N'] AFLOW prototype label: A_cI8_199_a Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.8018', '0.66473467'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.16473467 0.16473467 0.16473467]] spacegroup = 199 cell = [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]] ========================================= Step Time Energy fmax BFGS: 0 16:24:37 5.843548 1.549173 BFGS: 1 16:24:37 5.518732 1.493984 BFGS: 2 16:24:37 4.975037 1.827997 BFGS: 3 16:24:37 4.639977 2.043936 BFGS: 4 16:24:37 4.379015 2.180528 BFGS: 5 16:24:37 6.168294 63.999865 BFGS: 6 16:24:37 3.919505 2.073398 BFGS: 7 16:24:37 3.614864 1.982375 BFGS: 8 16:24:37 3.324992 1.881846 BFGS: 9 16:24:37 3.051168 1.771434 BFGS: 10 16:24:37 2.794675 1.650772 BFGS: 11 16:24:37 2.556788 1.519517 BFGS: 12 16:24:37 2.338745 1.377363 BFGS: 13 16:24:37 2.141717 1.411300 BFGS: 14 16:24:37 1.966751 1.697270 BFGS: 15 16:24:37 1.814689 1.994244 BFGS: 16 16:24:37 1.686034 2.301443 BFGS: 17 16:24:37 1.580703 2.617514 BFGS: 18 16:24:37 1.497579 2.940078 BFGS: 19 16:24:37 1.433599 3.245789 BFGS: 20 16:24:37 1.389224 2.225180 BFGS: 21 16:24:37 1.382999 0.173024 BFGS: 22 16:24:37 1.377012 0.410519 BFGS: 23 16:24:37 1.374526 0.008795 BFGS: 24 16:24:37 1.374525 0.000191 BFGS: 25 16:24:37 1.374525 0.000003 BFGS: 26 16:24:37 1.374525 0.000000 Minimization converged after 26 steps. Maximum force component: 1.6784856872453795e-09 eV/Angstrom Maximum stress component: 2.2919034295068244e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.18379565 0.18379565 0.18379565] [0.31620435 0.81620435 0.68379565] [0.81620435 0.68379565 0.31620435] [0.68379565 0.31620435 0.81620435] [0.68379565 0.68379565 0.68379565] [0.81620435 0.31620435 0.18379565] [0.31620435 0.18379565 0.81620435] [0.18379565 0.81620435 0.31620435]] cellpar = Cell([3.3654856497653074, 3.3654856497653074, 3.3654856497653074]) forces = [[ 1.67848569e-09 1.67848569e-09 1.67848569e-09] [-1.67848569e-09 -1.67848569e-09 1.67848569e-09] [-1.67848569e-09 1.67848569e-09 -1.67848569e-09] [ 1.67848569e-09 -1.67848569e-09 -1.67848569e-09] [ 1.67848569e-09 1.67848569e-09 1.67848569e-09] [-1.67848569e-09 -1.67848569e-09 1.67848569e-09] [-1.67848569e-09 1.67848569e-09 -1.67848569e-09] [ 1.67848569e-09 -1.67848569e-09 -1.67848569e-09]] stress = [2.29190343e-11 2.29190343e-11 2.29190343e-11 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = 0.17181568604695077 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0