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:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== 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 23:10:00      -14.435058         5.507299
BFGS:    1 23:10:00      -15.162983         4.226369
BFGS:    2 23:10:00      -15.710915         3.104431
BFGS:    3 23:10:00      -16.101420         2.124699
BFGS:    4 23:10:00      -16.354677         1.272054
BFGS:    5 23:10:00      -16.488708         0.532881
BFGS:    6 23:10:01      -16.520496         0.063443
BFGS:    7 23:10:01      -16.520986         0.003801
BFGS:    8 23:10:01      -16.520988         0.000030
BFGS:    9 23:10:01      -16.520988         0.000000
BFGS:   10 23:10:01      -16.520988         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.341972088681956e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.14961949198555, -1.4960864400048834e-32, 6.963496447041134e-33], [-1.2655233449373604e-32, 4.14961949198555, 1.6436679257606588e-17], [1.801362344004669e-32, 1.6436679257606575e-17, 4.14961949198555]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.34197209e-15 -3.34197209e-15 -3.34197209e-15  1.69393320e-31
  1.49129195e-35  1.25359789e-51]
energy per atom =  -4.130246994339415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0