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 16:39:56      -70.134155         0.189242
BFGS:    1 16:39:56      -70.141271         0.122811
BFGS:    2 16:39:56      -70.146695         0.050616
BFGS:    3 16:39:57      -70.146816         0.049712
BFGS:    4 16:39:57      -70.148438         0.018948
BFGS:    5 16:39:57      -70.148686         0.010080
BFGS:    6 16:39:57      -70.148724         0.001200
BFGS:    7 16:39:57      -70.148724         0.000060
BFGS:    8 16:39:57      -70.148724         0.000002
BFGS:    9 16:39:57      -70.148724         0.000000
BFGS:   10 16:39:57      -70.148724         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.7145194888185874e-10 eV/Angstrom
Maximum stress component: 1.7803636284542676e-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([[6.644395033248547, 6.554559171192384e-38, 0.0], [6.449607656928578e-37, 6.644395033248547, 0.0], [0.0, 0.0, 6.644395033248547]])
forces =  [[ 2.71451949e-10  2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10 -2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10  2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10 -2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10  2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10 -2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10  2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10 -2.71451949e-10 -2.71451949e-10]
 [-2.71451949e-10 -2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10  2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10 -2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10  2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10 -2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10  2.71451949e-10 -2.71451949e-10]
 [ 2.71451949e-10 -2.71451949e-10  2.71451949e-10]
 [-2.71451949e-10  2.71451949e-10  2.71451949e-10]]
stress =  [1.78036363e-12 1.78036363e-12 1.78036363e-12 0.00000000e+00
 0.00000000e+00 5.74702896e-65]
energy per atom =  -4.384295269912174
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0