element(s): ['Si'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.868'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]] ========================================= Step Time Energy fmax BFGS: 0 17:15:49 -15.890540 2.1674 BFGS: 1 17:15:49 -16.060930 1.5127 BFGS: 2 17:15:49 -16.216727 0.5910 BFGS: 3 17:15:49 -16.248484 0.0790 BFGS: 4 17:15:49 -16.249106 0.0050 BFGS: 5 17:15:49 -16.249108 0.0000 BFGS: 6 17:15:49 -16.249108 0.0000 BFGS: 7 17:15:49 -16.249108 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.512412550460114e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.982406340280853, 2.9187727615037123e-33, -3.558515189272381e-33], [1.8298874647903148e-32, 3.982406340280853, -6.3406038390277295e-18], [-2.895587116689575e-32, -6.3406038390277026e-18, 3.982406340280853]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.51241255e-15 -8.51241255e-15 -8.51241255e-15 1.78048696e-30 4.02252981e-36 -3.42466700e-52] energy per atom = -4.062277069225094 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0