element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:11      -70.646099         0.218273
BFGS:    1 15:53:11      -70.651304         0.202833
BFGS:    2 15:53:11      -70.659163         0.150912
BFGS:    3 15:53:11      -70.660870         0.140750
BFGS:    4 15:53:11      -70.675811         0.075394
BFGS:    5 15:53:11      -70.679374         0.032802
BFGS:    6 15:53:11      -70.679703         0.007178
BFGS:    7 15:53:11      -70.679724         0.000339
BFGS:    8 15:53:11      -70.679724         0.000013
BFGS:    9 15:53:11      -70.679724         0.000000
BFGS:   10 15:53:11      -70.679724         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.77901575888499e-09 eV/Angstrom
Maximum stress component: 1.7432233475772206e-10 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']
basis =  [[0.10119322 0.10119322 0.10119322]
 [0.39880678 0.89880678 0.60119322]
 [0.89880678 0.60119322 0.39880678]
 [0.60119322 0.39880678 0.89880678]
 [0.60119322 0.60119322 0.60119322]
 [0.89880678 0.39880678 0.10119322]
 [0.39880678 0.10119322 0.89880678]
 [0.10119322 0.89880678 0.39880678]
 [0.89880678 0.89880678 0.89880678]
 [0.60119322 0.10119322 0.39880678]
 [0.10119322 0.39880678 0.60119322]
 [0.39880678 0.60119322 0.10119322]
 [0.39880678 0.39880678 0.39880678]
 [0.10119322 0.60119322 0.89880678]
 [0.60119322 0.89880678 0.10119322]
 [0.89880678 0.10119322 0.60119322]]
cellpar =  Cell([[6.617246435655489, -1.7097065754182923e-37, 0.0], [-4.523916614102112e-37, 6.617246435655489, 0.0], [0.0, 0.0, 6.617246435655489]])
forces =  [[-3.77901576e-09 -3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09  3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09 -3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09  3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09 -3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09  3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09 -3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09  3.77901576e-09  3.77901576e-09]
 [ 3.77901576e-09  3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09 -3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09  3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09 -3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09  3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09 -3.77901576e-09  3.77901576e-09]
 [-3.77901576e-09  3.77901576e-09 -3.77901576e-09]
 [ 3.77901576e-09 -3.77901576e-09 -3.77901576e-09]]
stress =  [ 1.74322335e-10  1.74322335e-10  1.74322335e-10  0.00000000e+00
  0.00000000e+00 -5.62983722e-34]
energy per atom =  -4.4174827676380435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0