element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 14:56:22 -569.403975 0.654515 BFGS: 1 14:56:22 -569.771690 0.663888 BFGS: 2 14:56:22 -571.197163 0.683626 BFGS: 3 14:56:22 -572.175065 0.714400 BFGS: 4 14:56:23 -572.943439 0.684556 BFGS: 5 14:56:23 -573.558211 0.585386 BFGS: 6 14:56:23 -574.016338 0.402330 BFGS: 7 14:56:25 -574.313923 0.297338 BFGS: 8 14:56:25 -574.481812 0.180885 BFGS: 9 14:56:26 -574.585627 0.012292 BFGS: 10 14:56:27 -574.585836 0.011561 BFGS: 11 14:56:28 -574.585854 0.011688 BFGS: 12 14:56:30 -574.585936 0.012857 BFGS: 13 14:56:30 -574.585949 0.012944 BFGS: 14 14:56:31 -574.586020 0.012798 BFGS: 15 14:56:32 -574.586130 0.011752 BFGS: 16 14:56:32 -574.586349 0.008373 BFGS: 17 14:56:33 -574.586560 0.004363 BFGS: 18 14:56:34 -574.586661 0.001558 BFGS: 19 14:56:34 -574.586676 0.000233 BFGS: 20 14:56:35 -574.586677 0.000047 BFGS: 21 14:56:36 -574.586677 0.000002 BFGS: 22 14:56:37 -574.586677 0.000000 BFGS: 23 14:56:38 -574.586677 0.000000 Minimization converged after 23 steps. Maximum force component: 5.339018424505781e-10 eV/Angstrom Maximum stress component: 2.289804853174246e-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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.34812429e-33 3.40241230e-33 1.13705994e-32] [1.30962923e-32 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.08506574e-32] [5.00000000e-01 8.60180802e-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] [9.01551693e-01 9.01551693e-01 9.01551693e-01] [9.84483072e-02 5.98448307e-01 4.01551693e-01] [5.98448307e-01 4.01551693e-01 9.84483072e-02] [4.01551693e-01 9.84483072e-02 5.98448307e-01] [6.51551693e-01 1.51551693e-01 8.48448307e-01] [3.48448307e-01 3.48448307e-01 3.48448307e-01] [1.51551693e-01 8.48448307e-01 6.51551693e-01] [8.48448307e-01 6.51551693e-01 1.51551693e-01] [1.51551693e-01 6.51551693e-01 8.48448307e-01] [6.51551693e-01 8.48448307e-01 1.51551693e-01] [8.48448307e-01 1.51551693e-01 6.51551693e-01] [5.98448307e-01 9.84483072e-02 4.01551693e-01] [9.84483072e-02 4.01551693e-01 5.98448307e-01] [4.01551693e-01 5.98448307e-01 9.84483072e-02] [9.01551693e-01 4.01551693e-01 4.01551693e-01] [9.84483072e-02 9.84483072e-02 9.01551693e-01] [5.98448307e-01 9.01551693e-01 5.98448307e-01] [6.51551693e-01 6.51551693e-01 3.48448307e-01] [3.48448307e-01 8.48448307e-01 8.48448307e-01] [1.51551693e-01 3.48448307e-01 1.51551693e-01] [1.51551693e-01 1.51551693e-01 3.48448307e-01] [6.51551693e-01 3.48448307e-01 6.51551693e-01] [5.98448307e-01 5.98448307e-01 9.01551693e-01] [9.84483072e-02 9.01551693e-01 9.84483072e-02] [4.01551693e-01 9.01551693e-01 4.01551693e-01] [9.01551693e-01 9.84483072e-02 9.84483072e-02] [8.48448307e-01 3.48448307e-01 8.48448307e-01] [3.48448307e-01 6.51551693e-01 6.51551693e-01] [3.48448307e-01 1.51551693e-01 1.51551693e-01] [9.01551693e-01 5.98448307e-01 5.98448307e-01] [4.01551693e-01 4.01551693e-01 9.01551693e-01] [8.48448307e-01 8.48448307e-01 3.48448307e-01] [4.38997433e-01 4.38997433e-01 2.56074065e-01] [5.61002567e-01 6.10025672e-02 7.56074065e-01] [6.10025672e-02 9.38997433e-01 7.43925935e-01] [9.38997433e-01 5.61002567e-01 2.43925935e-01] [2.56074065e-01 4.38997433e-01 4.38997433e-01] [7.56074065e-01 5.61002567e-01 6.10025672e-02] [7.43925935e-01 6.10025672e-02 9.38997433e-01] [2.43925935e-01 9.38997433e-01 5.61002567e-01] [4.38997433e-01 2.56074065e-01 4.38997433e-01] [6.10025672e-02 7.56074065e-01 5.61002567e-01] [9.38997433e-01 7.43925935e-01 6.10025672e-02] [5.61002567e-01 2.43925935e-01 9.38997433e-01] [1.88997433e-01 6.88997433e-01 4.93925935e-01] [8.11002567e-01 8.11002567e-01 9.93925935e-01] [6.88997433e-01 3.11002567e-01 6.07406495e-03] [3.11002567e-01 1.88997433e-01 5.06074065e-01] [1.88997433e-01 5.06074065e-01 3.11002567e-01] [3.11002567e-01 6.07406495e-03 6.88997433e-01] [8.11002567e-01 9.93925935e-01 8.11002567e-01] [6.88997433e-01 4.93925935e-01 1.88997433e-01] [6.07406495e-03 6.88997433e-01 3.11002567e-01] [5.06074065e-01 3.11002567e-01 1.88997433e-01] [4.93925935e-01 1.88997433e-01 6.88997433e-01] [9.93925935e-01 8.11002567e-01 8.11002567e-01] [6.88997433e-01 1.88997433e-01 4.93925935e-01] [1.88997433e-01 3.11002567e-01 5.06074065e-01] [3.11002567e-01 6.88997433e-01 6.07406495e-03] [4.93925935e-01 6.88997433e-01 1.88997433e-01] [5.06074065e-01 1.88997433e-01 3.11002567e-01] [6.07406495e-03 3.11002567e-01 6.88997433e-01] [1.88997433e-01 4.93925935e-01 6.88997433e-01] [3.11002567e-01 5.06074065e-01 1.88997433e-01] [6.88997433e-01 6.07406495e-03 3.11002567e-01] [6.10025672e-02 5.61002567e-01 7.56074065e-01] [5.61002567e-01 9.38997433e-01 2.43925935e-01] [9.38997433e-01 6.10025672e-02 7.43925935e-01] [6.10025672e-02 7.43925935e-01 9.38997433e-01] [9.38997433e-01 2.43925935e-01 5.61002567e-01] [5.61002567e-01 7.56074065e-01 6.10025672e-02] [2.43925935e-01 5.61002567e-01 9.38997433e-01] [7.43925935e-01 9.38997433e-01 6.10025672e-02] [7.56074065e-01 6.10025672e-02 5.61002567e-01] [4.38997433e-01 9.38997433e-01 7.56074065e-01] [5.61002567e-01 5.61002567e-01 2.56074065e-01] [6.10025672e-02 4.38997433e-01 2.43925935e-01] [2.56074065e-01 9.38997433e-01 9.38997433e-01] [7.43925935e-01 5.61002567e-01 4.38997433e-01] [2.43925935e-01 4.38997433e-01 6.10025672e-02] [4.38997433e-01 7.56074065e-01 9.38997433e-01] [6.10025672e-02 2.56074065e-01 6.10025672e-02] [5.61002567e-01 7.43925935e-01 4.38997433e-01] [1.88997433e-01 1.88997433e-01 9.93925935e-01] [8.11002567e-01 3.11002567e-01 4.93925935e-01] [6.88997433e-01 8.11002567e-01 5.06074065e-01] [1.88997433e-01 6.07406495e-03 8.11002567e-01] [8.11002567e-01 4.93925935e-01 3.11002567e-01] [6.88997433e-01 9.93925935e-01 6.88997433e-01] [6.07406495e-03 1.88997433e-01 8.11002567e-01] [5.06074065e-01 8.11002567e-01 6.88997433e-01] [9.93925935e-01 3.11002567e-01 3.11002567e-01] [6.88997433e-01 6.88997433e-01 9.93925935e-01] [1.88997433e-01 8.11002567e-01 6.07406495e-03] [5.06074065e-01 6.88997433e-01 8.11002567e-01] [6.07406495e-03 8.11002567e-01 1.88997433e-01] [1.88997433e-01 9.93925935e-01 1.88997433e-01] [6.88997433e-01 5.06074065e-01 8.11002567e-01] [6.10025672e-02 6.10025672e-02 2.56074065e-01] [5.61002567e-01 4.38997433e-01 7.43925935e-01] [6.10025672e-02 2.43925935e-01 4.38997433e-01] [5.61002567e-01 2.56074065e-01 5.61002567e-01] [2.43925935e-01 6.10025672e-02 4.38997433e-01] [7.43925935e-01 4.38997433e-01 5.61002567e-01] [9.38997433e-01 4.38997433e-01 7.56074065e-01] [4.38997433e-01 5.61002567e-01 7.43925935e-01] [7.56074065e-01 4.38997433e-01 9.38997433e-01] [2.56074065e-01 5.61002567e-01 5.61002567e-01] [9.38997433e-01 2.56074065e-01 9.38997433e-01] [4.38997433e-01 7.43925935e-01 5.61002567e-01] [3.11002567e-01 8.11002567e-01 4.93925935e-01] [8.11002567e-01 1.88997433e-01 6.07406495e-03] [8.11002567e-01 6.07406495e-03 1.88997433e-01] [3.11002567e-01 9.93925935e-01 3.11002567e-01] [9.93925935e-01 1.88997433e-01 1.88997433e-01] [4.93925935e-01 8.11002567e-01 3.11002567e-01] [8.11002567e-01 6.88997433e-01 5.06074065e-01] [9.93925935e-01 6.88997433e-01 6.88997433e-01] [8.11002567e-01 5.06074065e-01 6.88997433e-01] [4.38997433e-01 6.10025672e-02 2.43925935e-01] [4.38997433e-01 2.43925935e-01 6.10025672e-02] [2.56074065e-01 6.10025672e-02 6.10025672e-02] [9.38997433e-01 9.38997433e-01 2.56074065e-01] [7.56074065e-01 9.38997433e-01 4.38997433e-01] [9.38997433e-01 7.56074065e-01 4.38997433e-01] [3.11002567e-01 3.11002567e-01 9.93925935e-01] [3.11002567e-01 4.93925935e-01 8.11002567e-01] [4.93925935e-01 3.11002567e-01 8.11002567e-01]] cellpar = Cell([[14.740902431412733, -7.317768682564897e-33, -9.50602137949801e-33], [-5.4898799509452775e-33, 14.740902431412733, 2.896976329231697e-19], [-1.0980262809982821e-32, 2.896976329231625e-19, 14.740902431412733]]) forces = [[ 6.05652169e-32 -3.02826084e-31 2.32797552e-31] [ 1.81695651e-31 2.08192933e-31 -9.08478253e-32] [ 5.96188853e-32 5.67798908e-31 3.65283964e-31] [ 4.54239126e-32 1.51413042e-31 1.51413042e-31] [ 6.05652169e-32 6.47207321e-51 3.29323367e-31] [-2.88631112e-32 -6.05652169e-32 -9.08478253e-32] [-6.15115484e-33 -1.09774456e-31 -3.78532605e-32] [ 1.81695651e-31 -7.57065211e-32 3.78532605e-31] [-2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 -2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [-2.73681615e-10 2.73681615e-10 2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [-2.73681615e-10 2.73681615e-10 2.73681615e-10] [-2.73681615e-10 -2.73681615e-10 -2.73681615e-10] [ 2.73681615e-10 2.73681615e-10 2.73681615e-10] [-3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 5.33901842e-10] [-5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [-5.33901842e-10 3.10727725e-10 3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 3.10727725e-10] [-3.10727725e-10 5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [-3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 5.33901842e-10 3.10727725e-10] [-3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [ 5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [-5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 -3.10727725e-10] [-3.10727725e-10 5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 5.33901842e-10] [-5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 -5.33901842e-10] [-3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 5.33901842e-10 3.10727725e-10] [-3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 5.33901842e-10] [-3.10727725e-10 3.10727725e-10 -5.33901842e-10] [-5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 -3.10727725e-10] [-3.10727725e-10 5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [-3.10727725e-10 3.10727725e-10 5.33901842e-10] [-5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [-5.33901842e-10 3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 5.33901842e-10 3.10727725e-10] [ 3.10727725e-10 3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [ 3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 5.33901842e-10 3.10727725e-10] [ 5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 3.10727725e-10] [ 3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [ 5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [ 3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [-3.10727725e-10 3.10727725e-10 5.33901842e-10] [-3.10727725e-10 5.33901842e-10 3.10727725e-10] [-5.33901842e-10 3.10727725e-10 3.10727725e-10] [-3.10727725e-10 -3.10727725e-10 -5.33901842e-10] [-5.33901842e-10 -3.10727725e-10 -3.10727725e-10] [-3.10727725e-10 -5.33901842e-10 -3.10727725e-10] [ 3.10727725e-10 3.10727725e-10 5.33901842e-10] [ 3.10727725e-10 5.33901842e-10 3.10727725e-10] [ 5.33901842e-10 3.10727725e-10 3.10727725e-10]] stress = [-2.28980485e-11 -2.28980485e-11 -2.28980485e-11 3.54212880e-27 -3.78164761e-35 3.77280250e-51] energy per atom = -4.224902033519642 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0