element(s): ['Sn'] AFLOW prototype label: A_tI4_141_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.0296', '0.5410475'] 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 = 141 cell = [[6.0296, 0, 0], [0, 6.0296, 0], [0, 0, 3.2623]] ========================================= Step Time Energy fmax BFGS: 0 20:46:32 -12.303234 0.695057 BFGS: 1 20:46:32 -12.321368 0.639560 BFGS: 2 20:46:32 -12.387278 0.334125 BFGS: 3 20:46:32 -12.406834 0.089817 BFGS: 4 20:46:32 -12.407176 0.048164 BFGS: 5 20:46:32 -12.407228 0.045352 BFGS: 6 20:46:32 -12.407799 0.001205 BFGS: 7 20:46:32 -12.407800 0.000036 BFGS: 8 20:46:32 -12.407800 0.000001 BFGS: 9 20:46:32 -12.407800 0.000000 BFGS: 10 20:46:32 -12.407800 0.000000 Minimization converged after 10 steps. Maximum force component: 1.354055881018721e-32 eV/Angstrom Maximum stress component: 2.6278032455297056e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn'] basis = [[0.00000000e+00 8.15402639e-33 5.11898816e-33] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[5.858883414411762, -1.5166018210453444e-36, 8.393255257484088e-40], [7.68540825688748e-38, 5.858883414411763, 8.642194774249462e-18], [1.2846916153877522e-37, 4.641355670146702e-18, 3.205904241239741]]) forces = [[-1.35405588e-32 4.51351960e-33 6.65770468e-51] [-4.51351960e-33 -7.15114069e-51 -4.93947758e-33] [-9.02703921e-33 -9.02703921e-33 -1.33154094e-50] [ 1.35405588e-32 -9.02703921e-33 -1.33154094e-50]] stress = [-2.62780325e-12 -2.62780325e-12 2.12003044e-12 -1.71629872e-29 1.30739869e-49 3.26888732e-66] energy per atom = -3.101949955247456 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0