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_LenoskySadighAlonso_2000_Si__MO_533426548156_001 ==== 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 15:30:17 -8.203077 20.258404 BFGS: 1 15:30:17 -11.167887 19.211308 BFGS: 2 15:30:17 -13.948646 17.807844 BFGS: 3 15:30:17 -15.589628 3.505623 BFGS: 4 15:30:17 -15.634459 0.320554 BFGS: 5 15:30:17 -15.634680 0.104123 BFGS: 6 15:30:18 -15.634706 0.001788 BFGS: 7 15:30:18 -15.634706 0.000010 BFGS: 8 15:30:18 -15.634706 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.518016201517436e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.80809654e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.005597495308422, 3.590648877658123e-33, 1.6164478099099544e-33], [1.895771160303367e-33, 4.005597495308422, -2.164760425708537e-18], [-9.422191331076307e-34, -2.1647604257085338e-18, 4.005597495308422]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 6.51801620e-11 6.51801620e-11 6.51801620e-11 9.90455415e-28 -1.28036736e-34 -2.02695692e-51] energy per atom = -3.9086766063791476 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0