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 15:39:17      -14.435058         5.507298
BFGS:    1 15:39:17      -15.162983         4.226369
BFGS:    2 15:39:17      -15.710915         3.104431
BFGS:    3 15:39:17      -16.101420         2.124699
BFGS:    4 15:39:17      -16.354677         1.272054
BFGS:    5 15:39:17      -16.488708         0.532881
BFGS:    6 15:39:17      -16.520496         0.063443
BFGS:    7 15:39:17      -16.520986         0.003801
BFGS:    8 15:39:17      -16.520988         0.000030
BFGS:    9 15:39:17      -16.520988         0.000000
BFGS:   10 15:39:17      -16.520988         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5757898689980654e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.06111599e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.56946471e-34]]
cellpar =  Cell([[4.149619491985527, -1.2104509814960444e-32, 2.3221758047453294e-33], [-2.946382685893621e-33, 4.149619491985527, -7.99484378836632e-18], [-1.8563279204123804e-33, -7.99484378836632e-18, 4.149619491985527]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.57578987e-15 -2.57578987e-15 -2.57578987e-15  2.93545807e-32
  5.21952181e-35 -6.78504856e-52]
energy per atom =  -4.13024699433941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0