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 21:52:09 -24.929654 0.546532 BFGS: 1 21:52:10 -24.942199 0.524652 BFGS: 2 21:52:10 -25.010078 0.378701 BFGS: 3 21:52:10 -25.055286 0.222280 BFGS: 4 21:52:10 -25.076212 0.054839 BFGS: 5 21:52:10 -25.077502 0.002492 BFGS: 6 21:52:11 -25.077505 0.000026 BFGS: 7 21:52:11 -25.077505 0.000000 BFGS: 8 21:52:11 -25.077505 0.000000 Minimization converged after 8 steps. Maximum force component: 1.1154310471675213e-31 eV/Angstrom Maximum stress component: 1.5673022362977086e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn'] basis = [[1.41234863e-33 4.36544121e-33 2.20451648e-33] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.94946737e-34] [5.00000000e-01 3.80420811e-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([[6.5814194569546975, 1.2485681079650446e-33, -1.4147583304613709e-34], [-2.8248523576311653e-34, 6.5814194569546975, 5.9578444513130925e-18], [3.6500527062801097e-32, 5.9578444513130725e-18, 6.5814194569546975]]) forces = [[ 4.73213172e-32 -3.88710819e-32 4.22511760e-32] [ 1.35203763e-32 -1.43653998e-32 -6.76018816e-33] [ 6.14754611e-32 1.08585522e-31 3.16883820e-32] [ 3.71810349e-32 4.90113642e-32 -6.76018816e-33] [-5.07014112e-32 -1.11543105e-31 -7.09819757e-32] [-3.54909879e-32 9.46426343e-32 -3.38009408e-33] [-6.76018816e-33 -2.15480998e-32 -8.13335139e-32] [-3.38009408e-32 -5.40815053e-32 -5.40815053e-32]] stress = [-1.56730224e-15 -1.56730224e-15 -1.56730224e-15 3.60736546e-31 1.48373368e-63 2.34529275e-65] energy per atom = -3.1346881413621794 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0