element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:32:13      -36.295633         0.530572
BFGS:    1 17:32:13      -36.318084         0.271370
BFGS:    2 17:32:13      -36.321982         0.295865
BFGS:    3 17:32:13      -36.323655         0.284238
BFGS:    4 17:32:13      -36.331666         0.168979
BFGS:    5 17:32:13      -36.336023         0.163415
BFGS:    6 17:32:13      -36.338052         0.144094
BFGS:    7 17:32:13      -36.338892         0.118188
BFGS:    8 17:32:13      -36.340267         0.085416
BFGS:    9 17:32:13      -36.342075         0.112604
BFGS:   10 17:32:13      -36.343680         0.083890
BFGS:   11 17:32:13      -36.344254         0.028798
BFGS:   12 17:32:13      -36.344328         0.003698
BFGS:   13 17:32:13      -36.344331         0.000261
BFGS:   14 17:32:13      -36.344331         0.000024
BFGS:   15 17:32:13      -36.344331         0.000001
BFGS:   16 17:32:13      -36.344331         0.000000
BFGS:   17 17:32:13      -36.344331         0.000000
BFGS:   18 17:32:13      -36.344331         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.070387916539753e-09 eV/Angstrom
Maximum stress component: 4.664549941785705e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19046529e-01 8.19046529e-01 0.00000000e+00]
 [1.80953471e-01 1.80953471e-01 0.00000000e+00]
 [1.80953471e-01 8.19046529e-01 2.96062007e-33]
 [8.19046529e-01 1.80953471e-01 1.52924590e-34]
 [3.19046529e-01 3.19046529e-01 5.00000000e-01]
 [6.80953471e-01 6.80953471e-01 5.00000000e-01]
 [6.80953471e-01 3.19046529e-01 5.00000000e-01]
 [3.19046529e-01 6.80953471e-01 5.00000000e-01]]
cellpar =  Cell([[6.641294549362181, -1.6234937035946013e-36, -9.726979696771816e-35], [-2.9109066497528328e-36, 6.641294549362182, 1.0495237825461983e-18], [-3.673188169610375e-33, 5.592128538645297e-19, 3.935620207206673]])
forces =  [[-1.07038792e-09 -1.07038792e-09 -1.69153403e-28]
 [ 1.07038792e-09  1.07038792e-09  1.69007872e-28]
 [ 1.07038792e-09 -1.07038792e-09 -1.69056383e-28]
 [-1.07038792e-09  1.07038792e-09  1.69214041e-28]
 [-1.07038792e-09 -1.07038792e-09 -1.69153403e-28]
 [ 1.07038792e-09  1.07038792e-09  1.69080638e-28]
 [ 1.07038792e-09 -1.07038792e-09 -1.69020000e-28]
 [-1.07038792e-09  1.07038792e-09  1.69201914e-28]]
stress =  [-4.27484592e-11 -4.27484592e-11 -4.66454994e-11  5.08721286e-27
  2.35789543e-34 -5.72038563e-50]
energy per atom =  -4.543041338158521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0