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_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 17:40:26      -70.134155        0.1892
BFGS:    1 17:40:26      -70.141271        0.1228
BFGS:    2 17:40:26      -70.146695        0.0506
BFGS:    3 17:40:26      -70.146816        0.0497
BFGS:    4 17:40:26      -70.148438        0.0189
BFGS:    5 17:40:26      -70.148686        0.0101
BFGS:    6 17:40:26      -70.148724        0.0012
BFGS:    7 17:40:26      -70.148724        0.0001
BFGS:    8 17:40:26      -70.148724        0.0000
BFGS:    9 17:40:26      -70.148724        0.0000
BFGS:   10 17:40:26      -70.148724        0.0000
Minimization converged after 10 steps.
Maximum force component: 2.7146185068345956e-10 eV/Angstrom
Maximum stress component: 1.7805099743667329e-12 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 =  [[0.10077817 0.10077817 0.10077817]
 [0.39922183 0.89922183 0.60077817]
 [0.89922183 0.60077817 0.39922183]
 [0.60077817 0.39922183 0.89922183]
 [0.60077817 0.60077817 0.60077817]
 [0.89922183 0.39922183 0.10077817]
 [0.39922183 0.10077817 0.89922183]
 [0.10077817 0.89922183 0.39922183]
 [0.89922183 0.89922183 0.89922183]
 [0.60077817 0.10077817 0.39922183]
 [0.10077817 0.39922183 0.60077817]
 [0.39922183 0.60077817 0.10077817]
 [0.39922183 0.39922183 0.39922183]
 [0.10077817 0.60077817 0.89922183]
 [0.60077817 0.89922183 0.10077817]
 [0.89922183 0.10077817 0.60077817]]
cellpar =  Cell([[6.644395033248546, 4.708179336168364e-39, 0.0], [7.518536142979486e-38, 6.644395033248546, 0.0], [0.0, 0.0, 6.644395033248546]])
forces =  [[ 2.71461851e-10  2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10 -2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10  2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10 -2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10  2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10 -2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10  2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10 -2.71461851e-10 -2.71461851e-10]
 [-2.71461851e-10 -2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10  2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10 -2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10  2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10 -2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10  2.71461851e-10 -2.71461851e-10]
 [ 2.71461851e-10 -2.71461851e-10  2.71461851e-10]
 [-2.71461851e-10  2.71461851e-10  2.71461851e-10]]
stress =  [1.78050997e-12 1.78050997e-12 1.78050997e-12 0.00000000e+00
 0.00000000e+00 3.72261657e-34]
energy per atom =  -4.38429526991218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0