element(s): ['Ga', 'N'] AFLOW prototype label: AB_cF8_225_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.2456'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ga', 'N'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 225 cell = [[4.2456, 0, 0], [0, 4.2456, 0], [0, 0, 4.2456]] ========================================= Step Time Energy fmax BFGS: 0 20:25:38 -17.411096 0.657979 BFGS: 1 20:25:38 -17.429127 0.620764 BFGS: 2 20:25:38 -17.506770 0.411157 BFGS: 3 20:25:38 -17.551444 0.180941 BFGS: 4 20:25:38 -17.561339 0.015403 BFGS: 5 20:25:38 -17.561408 0.000509 BFGS: 6 20:25:38 -17.561408 0.000001 BFGS: 7 20:25:38 -17.561408 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.323619507154183e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.69636341e-34] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 8.20757552e-50 6.56606042e-49] [0.00000000e+00 5.00000000e-01 0.00000000e+00] [0.00000000e+00 0.00000000e+00 5.00000000e-01]] cellpar = Cell([[4.168269690841964, -6.1297514454868164e-33, 3.7755446200385066e-32], [-6.856305109851418e-33, 4.168269690841964, 1.435229957542782e-17], [1.5229041456589702e-32, 1.4352299575427863e-17, 4.168269690841964]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.32361951e-11 -1.32361951e-11 -1.32361951e-11 -4.41738558e-27 -1.03920240e-36 7.94058015e-53] energy per atom = -2.195176024717024 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0