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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== 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 16:27:08 -37.019793 0.243111 BFGS: 1 16:27:08 -37.022248 0.228298 BFGS: 2 16:27:08 -37.039991 0.005144 BFGS: 3 16:27:08 -37.039999 0.000216 BFGS: 4 16:27:08 -37.039999 0.000000 BFGS: 5 16:27:08 -37.039999 0.000000 Minimization converged after 5 steps. Maximum force component: 7.139191172623839e-31 eV/Angstrom Maximum stress component: 2.9088996369142106e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.22765897e-32 9.95214440e-34] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.19167581e-33] [5.00000000e-01 2.92103809e-32 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([[5.429999985072412, 3.7826035113802364e-34, -1.006251278815453e-34], [3.783309891613622e-34, 5.429999985072412, 6.020067958102547e-20], [1.253326847210242e-34, 6.020067958101943e-20, 5.429999985072412]]) forces = [[-4.46199448e-31 4.94687110e-52 4.46199448e-32] [-4.01579503e-31 -7.13919117e-31 -3.56959559e-31] [-1.78479779e-31 2.67719669e-31 4.46199448e-32] [ 6.24679228e-31 -3.56959559e-31 -4.46199448e-32] [-8.92398897e-32 -3.56959559e-31 6.24679228e-31] [-3.12339614e-31 -2.67719669e-31 -2.96812266e-51] [-4.01579503e-31 -4.46199448e-31 -8.92398897e-32] [-4.15792649e-66 -8.92398897e-32 8.92398897e-32]] stress = [ 2.90889964e-13 2.90889964e-13 2.90889964e-13 1.64881817e-31 5.03760141e-64 -5.03766907e-63] energy per atom = -4.629999933956426 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0