element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:44      -14.435058         5.507298
BFGS:    1 15:30:44      -15.162983         4.226369
BFGS:    2 15:30:44      -15.710915         3.104431
BFGS:    3 15:30:44      -16.101420         2.124699
BFGS:    4 15:30:44      -16.354677         1.272054
BFGS:    5 15:30:44      -16.488708         0.532881
BFGS:    6 15:30:44      -16.520496         0.063443
BFGS:    7 15:30:44      -16.520986         0.003801
BFGS:    8 15:30:44      -16.520988         0.000030
BFGS:    9 15:30:44      -16.520988         0.000000
BFGS:   10 15:30:44      -16.520988         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3490515868292796e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.29778558e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.71297648e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.11389294e-33]]
cellpar =  Cell([[4.149619491985527, 7.976489491134169e-33, -3.976097885101494e-33], [1.6746462068860595e-32, 4.149619491985527, -1.559040545429955e-17], [1.0595724416848606e-32, -1.559040545429957e-17, 4.149619491985527]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.34905159e-15 -2.34905159e-15 -2.34905159e-15 -4.25305987e-31
  1.49129195e-35  5.38081216e-52]
energy per atom =  -4.130246994339413
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0