element(s): ['Si'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.657', '0.10135586'] model name: MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0.10135586 0.10135586 0.10135586]] spacegroup = 206 cell = [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]] ========================================= Step Time Energy fmax BFGS: 0 17:38:52 -70.349031 1.6817 BFGS: 1 17:38:52 -70.423313 1.1936 BFGS: 2 17:38:52 -70.547821 0.6952 BFGS: 3 17:38:52 -70.578596 0.6578 BFGS: 4 17:38:52 -70.638990 0.5518 BFGS: 5 17:38:52 -70.702668 0.5613 BFGS: 6 17:38:52 -70.757684 0.5096 BFGS: 7 17:38:52 -70.799260 0.3739 BFGS: 8 17:38:52 -70.822846 0.1817 BFGS: 9 17:38:52 -70.826672 0.0510 BFGS: 10 17:38:52 -70.826876 0.0175 BFGS: 11 17:38:52 -70.826921 0.0011 BFGS: 12 17:38:52 -70.826922 0.0002 BFGS: 13 17:38:52 -70.826922 0.0000 BFGS: 14 17:38:52 -70.826922 0.0000 BFGS: 15 17:38:52 -70.826922 0.0000 Minimization converged after 15 steps. Maximum force component: 2.1986086389515084e-10 eV/Angstrom Maximum stress component: 8.219079618896972e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.10239155 0.10239155 0.10239155] [0.39760845 0.89760845 0.60239155] [0.89760845 0.60239155 0.39760845] [0.60239155 0.39760845 0.89760845] [0.60239155 0.60239155 0.60239155] [0.89760845 0.39760845 0.10239155] [0.39760845 0.10239155 0.89760845] [0.10239155 0.89760845 0.39760845] [0.89760845 0.89760845 0.89760845] [0.60239155 0.10239155 0.39760845] [0.10239155 0.39760845 0.60239155] [0.39760845 0.60239155 0.10239155] [0.39760845 0.39760845 0.39760845] [0.10239155 0.60239155 0.89760845] [0.60239155 0.89760845 0.10239155] [0.89760845 0.10239155 0.60239155]] cellpar = Cell([[6.778805676800133, 1.1775205125034328e-36, 0.0], [-1.9641255537518067e-36, 6.778805676800133, 0.0], [0.0, 0.0, 6.778805676800133]]) forces = [[-2.19860864e-10 -2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 -2.19860864e-10 2.19860864e-10] [-2.19860864e-10 2.19860864e-10 2.19860864e-10] [-2.19860864e-10 -2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 -2.19860864e-10 2.19860864e-10] [-2.19860864e-10 2.19860864e-10 2.19860864e-10] [ 2.19860864e-10 2.19860864e-10 2.19860864e-10] [-2.19860864e-10 -2.19860864e-10 2.19860864e-10] [-2.19860864e-10 2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 -2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 2.19860864e-10 2.19860864e-10] [-2.19860864e-10 -2.19860864e-10 2.19860864e-10] [-2.19860864e-10 2.19860864e-10 -2.19860864e-10] [ 2.19860864e-10 -2.19860864e-10 -2.19860864e-10]] stress = [-8.21907962e-11 -8.21907962e-11 -8.21907962e-11 0.00000000e+00 0.00000000e+00 1.49585216e-62] energy per atom = -4.426682624384002 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0