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 16:28:19 -12.303234 0.695057 BFGS: 1 16:28:19 -12.321368 0.639560 BFGS: 2 16:28:19 -12.387278 0.334125 BFGS: 3 16:28:19 -12.406834 0.089817 BFGS: 4 16:28:19 -12.407176 0.048164 BFGS: 5 16:28:19 -12.407228 0.045352 BFGS: 6 16:28:19 -12.407799 0.001205 BFGS: 7 16:28:19 -12.407800 0.000036 BFGS: 8 16:28:19 -12.407800 0.000001 BFGS: 9 16:28:19 -12.407800 0.000000 BFGS: 10 16:28:19 -12.407800 0.000000 Minimization converged after 10 steps. Maximum force component: 3.6108156827165917e-32 eV/Angstrom Maximum stress component: 2.627524125638404e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn'] basis = [[2.32840087e-33 3.11066593e-32 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 5.00000000e-01 2.50000000e-01] [5.00000000e-01 4.86258502e-32 7.50000000e-01]] cellpar = Cell([[5.858883414411764, 8.090842011869777e-39, -2.1245688195191613e-54], [-1.8832536941876435e-38, 5.858883414411765, -9.26436409258962e-19], [-5.518235828665901e-53, -5.516606162106235e-19, 3.205904241239741]]) forces = [[-1.80540784e-32 9.02703921e-33 -4.93947758e-33] [ 2.70811176e-32 -2.25675980e-32 -2.46973879e-33] [-1.80540784e-32 3.61081568e-32 9.87895516e-33] [ 1.80540784e-32 -2.25675980e-32 1.48184327e-32]] stress = [-2.62752413e-12 -2.62752413e-12 2.12017061e-12 -4.46931235e-27 -5.61536310e-65 -1.74633164e-68] energy per atom = -3.101949955247455 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0