element(s): ['Sn'] 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: ['6.7273'] model name: MEAM_LAMMPS_KoKimKwon_2018_Sn__MO_129364204512_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Sn'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[6.7273, 0, 0], [0, 6.7273, 0], [0, 0, 6.7273]] ========================================= Step Time Energy fmax BFGS: 0 16:29:55 -24.929654 0.546532 BFGS: 1 16:29:55 -24.942199 0.524652 BFGS: 2 16:29:55 -25.010078 0.378701 BFGS: 3 16:29:55 -25.055286 0.222280 BFGS: 4 16:29:55 -25.076212 0.054839 BFGS: 5 16:29:55 -25.077502 0.002492 BFGS: 6 16:29:55 -25.077505 0.000026 BFGS: 7 16:29:55 -25.077505 0.000000 BFGS: 8 16:29:55 -25.077505 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.430228036421173e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[0.00000000e+00 1.92592994e-34 1.32832653e-34] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 4.38947090e-33 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([[6.581419456954698, 6.225028633571304e-34, 2.209781897050259e-34], [4.292492565223491e-33, 6.581419456954698, 3.0738518785630876e-18], [-2.074735265248908e-34, 3.073851878563086e-18, 6.581419456954698]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.43022804e-15 -1.43022804e-15 -1.43022804e-15 3.19451222e-34 5.67088651e-51 1.53768762e-65] energy per atom = -3.1346881413621808 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0