element(s):
['Si']
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:
['5.4673']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:56      -37.018404         0.253603
BFGS:    1 16:27:56      -37.021074         0.237790
BFGS:    2 16:27:56      -37.039953         0.011352
BFGS:    3 16:27:56      -37.039994         0.000411
BFGS:    4 16:27:56      -37.039994         0.000001
BFGS:    5 16:27:57      -37.039994         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.2268225196568428e-31 eV/Angstrom
Maximum stress component: 1.977709802229024e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.68642941e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 7.25239086e-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([[5.42900004101762, 6.623500487932999e-34, -1.0675708940665643e-34], [9.45790483190704e-34, 5.42900004101762, -1.1017371274416444e-19], [1.5130849127798487e-33, -1.1017371274416388e-19, 5.42900004101762]])
forces =  [[-2.23058640e-32 -4.46117280e-32 -6.69175920e-32]
 [ 3.90352620e-32  2.48965907e-51 -1.22682252e-31]
 [-7.77184517e-66 -4.46117280e-32  9.05330570e-52]
 [-2.81710913e-65 -7.24940580e-32 -5.57646600e-32]
 [ 4.46117280e-32 -2.23058640e-32  1.39411650e-33]
 [-5.85528930e-32 -4.52665285e-52  2.23058640e-32]
 [ 5.57646600e-32  4.46117280e-32  7.80705240e-32]
 [-4.46117280e-32 -5.01881940e-32  4.46117280e-32]]
stress =  [1.97770980e-12 1.97770980e-12 1.97770980e-12 1.48810676e-28
 2.78797908e-34 1.74531658e-50]
energy per atom =  -4.62999929234636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0