element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:02       -0.033081         7.548154
BFGS:    1 16:55:02       -1.298300        36.245547
BFGS:    2 16:55:02       -2.698675        11.231534
BFGS:    3 16:55:02       -2.756534         1.290473
BFGS:    4 16:55:02       -2.759290         1.092686
BFGS:    5 16:55:02       -2.755928         4.287118
BFGS:    6 16:55:02       -2.761844         0.876162
BFGS:    7 16:55:02       -2.763237         0.735124
BFGS:    8 16:55:02       -2.753417         4.817125
BFGS:    9 16:55:02       -2.764056         0.639226
BFGS:   10 16:55:02       -2.764608         0.566393
BFGS:   11 16:55:02       -2.752332         5.028639
BFGS:   12 16:55:02       -2.764996         0.509533
BFGS:   13 16:55:02       -2.765282         0.463397
BFGS:   14 16:55:02       -2.751808         5.127516
BFGS:   15 16:55:02       -2.765444         0.108857
BFGS:   16 16:55:02       -2.765450         0.000384
BFGS:   17 16:55:02       -2.765450         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2988740849015224e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6513000000000075, 5.875573179896747e-31, 1.9624860701884895e-37], [-1.3256500000000038, 2.2960931530536883, 3.9249721403753895e-37], [4.2538173341375294e-35, -2.049541616096659e-35, 2.201158423963155]])
forces =  [[0. 0. 0.]]
stress =  [ 3.07119041e-80  3.72834872e-80  1.29887408e-10 -9.84866109e-46
 -3.41167628e-46  2.58688997e-81]
energy per atom =  -2.7654500286873915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0