element(s): ['Si'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.4673'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 15:42:13 -37.016141 0.267092 BFGS: 1 15:42:13 -37.019103 0.250360 BFGS: 2 15:42:13 -37.039823 0.023549 BFGS: 3 15:42:13 -37.040000 0.000818 BFGS: 4 15:42:14 -37.040000 0.000003 BFGS: 5 15:42:14 -37.040000 0.000000 Minimization converged after 5 steps. Maximum force component: 5.574506693726272e-32 eV/Angstrom Maximum stress component: 1.3387785583107789e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 1.15702731e-33 1.06402028e-33] [9.00550171e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.05694374e-34] [5.00000000e-01 3.81488739e-34 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.427092548821804, 2.6495038376220854e-33, -6.98077665341131e-34], [-2.3650835348900066e-34, 5.427092548821804, 4.876210837482568e-19], [3.054196845314848e-33, 4.8762108374825615e-19, 5.427092548821804]]) forces = [[-1.39362667e-32 1.39362667e-33 -5.57450669e-32] [-4.73833069e-32 -2.22980268e-32 -2.78725335e-33] [-2.22980268e-32 -3.34470402e-32 1.11490134e-32] [-1.67235201e-32 -2.78725335e-33 3.34470402e-32] [ 1.11490134e-32 1.11490134e-32 -2.02075868e-32] [-8.36176004e-33 1.11490134e-32 3.34470402e-32] [ 8.36176004e-33 3.62342935e-32 -2.78725335e-33] [ 5.57450669e-33 4.45960535e-32 1.11490134e-32]] stress = [ 1.33877856e-11 1.33877856e-11 1.33877856e-11 -3.84685987e-28 7.08451231e-61 7.81525465e-62] energy per atom = -4.6300000000450785 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0