element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:36      -58.969544         0.511618
BFGS:    1 15:48:36      -58.979940         0.333029
BFGS:    2 15:48:36      -58.982654         0.340063
BFGS:    3 15:48:36      -58.985249         0.299720
BFGS:    4 15:48:36      -58.992773         0.144553
BFGS:    5 15:48:36      -58.994134         0.086831
BFGS:    6 15:48:36      -58.994347         0.028116
BFGS:    7 15:48:36      -58.994378         0.026422
BFGS:    8 15:48:36      -58.994436         0.026680
BFGS:    9 15:48:36      -58.994486         0.028889
BFGS:   10 15:48:36      -58.994509         0.013266
BFGS:   11 15:48:36      -58.994512         0.002325
BFGS:   12 15:48:36      -58.994512         0.000090
BFGS:   13 15:48:36      -58.994512         0.000009
BFGS:   14 15:48:36      -58.994512         0.000000
BFGS:   15 15:48:36      -58.994512         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.365346277642548e-09 eV/Angstrom
Maximum stress component: 1.4483984896656101e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 3.41530088e-36 5.93750000e-01]
 [0.00000000e+00 3.48387617e-36 9.06250000e-01]
 [1.40003214e-36 2.02883997e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.518213737105388, -3.061698435015717e-19, 5.087698398350042e-39], [-1.259106868552694, 2.1808370684922145, 1.7699871415061728e-38], [-6.159186179074309e-37, -1.0842052555533205e-36, 8.224451625799881]])
forces =  [[ 2.89700887e-31  3.58411897e-31  6.36534628e-09]
 [-8.27716820e-32 -1.43364759e-31  6.36534628e-09]
 [ 4.76692606e-46  8.39124868e-46 -6.36534628e-09]
 [ 1.65543364e-31  4.30094276e-31 -6.36534628e-09]
 [ 8.27716820e-32 -1.43364759e-31 -3.15331253e-09]
 [-2.27622126e-31  3.22570707e-31 -3.15331253e-09]
 [-4.13858410e-31  1.43364759e-31  3.15331253e-09]
 [-2.36147525e-46 -4.15691911e-46  3.15331253e-09]]
stress =  [-1.44839849e-10 -1.44839849e-10 -1.33043130e-10 -3.77149569e-45
 -1.31087603e-45 -4.28223067e-27]
energy per atom =  -7.374314033582735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0