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_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 10:50:49      -36.295633         0.530572
BFGS:    1 10:50:49      -36.318084         0.271370
BFGS:    2 10:50:49      -36.321982         0.295865
BFGS:    3 10:50:49      -36.323655         0.284238
BFGS:    4 10:50:49      -36.331666         0.168979
BFGS:    5 10:50:49      -36.336023         0.163415
BFGS:    6 10:50:49      -36.338052         0.144094
BFGS:    7 10:50:49      -36.338892         0.118188
BFGS:    8 10:50:50      -36.340267         0.085416
BFGS:    9 10:50:50      -36.342075         0.112604
BFGS:   10 10:50:50      -36.343680         0.083890
BFGS:   11 10:50:50      -36.344254         0.028798
BFGS:   12 10:50:50      -36.344328         0.003698
BFGS:   13 10:50:50      -36.344331         0.000261
BFGS:   14 10:50:50      -36.344331         0.000024
BFGS:   15 10:50:50      -36.344331         0.000001
BFGS:   16 10:50:50      -36.344331         0.000000
BFGS:   17 10:50:50      -36.344331         0.000000
BFGS:   18 10:50:50      -36.344331         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0703518711543266e-09 eV/Angstrom
Maximum stress component: 4.6645633769392387e-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 4.89358689e-35]
 [1.80953471e-01 8.19046529e-01 0.00000000e+00]
 [8.19046529e-01 1.80953471e-01 9.78717378e-35]
 [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([[6.641294549362182, -2.254120534332617e-36, 3.7882013058433775e-32], [1.5547271917860287e-36, 6.6412945493621836, -6.230938779076693e-18], [1.8573693283390813e-32, -3.5826063747224745e-18, 3.935620207206674]])
forces =  [[-1.07035187e-09 -1.07035187e-09  1.00421641e-27]
 [ 1.07035187e-09  1.07035187e-09 -1.00422399e-27]
 [ 1.07035187e-09 -1.07035187e-09  1.00421944e-27]
 [-1.07035187e-09  1.07035187e-09 -1.00422627e-27]
 [-1.07035187e-09 -1.07035187e-09  1.00422312e-27]
 [ 1.07035187e-09  1.07035187e-09 -1.00422854e-27]
 [ 1.07035187e-09 -1.07035187e-09  1.00423856e-27]
 [-1.07035187e-09  1.07035187e-09 -1.00423309e-27]]
stress =  [-4.27471261e-11 -4.27471261e-11 -4.66456338e-11 -7.04952280e-27
 -2.35789543e-34  4.84806043e-51]
energy per atom =  -4.5430413381585195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0