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 15:41:26      -58.969544        0.5116
BFGS:    1 15:41:26      -58.979940        0.3330
BFGS:    2 15:41:26      -58.982654        0.3401
BFGS:    3 15:41:26      -58.985249        0.2997
BFGS:    4 15:41:26      -58.992773        0.1446
BFGS:    5 15:41:26      -58.994134        0.0868
BFGS:    6 15:41:26      -58.994347        0.0281
BFGS:    7 15:41:26      -58.994378        0.0264
BFGS:    8 15:41:26      -58.994436        0.0267
BFGS:    9 15:41:26      -58.994486        0.0289
BFGS:   10 15:41:26      -58.994509        0.0133
BFGS:   11 15:41:26      -58.994512        0.0023
BFGS:   12 15:41:26      -58.994512        0.0001
BFGS:   13 15:41:26      -58.994512        0.0000
BFGS:   14 15:41:26      -58.994512        0.0000
BFGS:   15 15:41:26      -58.994512        0.0000
Minimization converged after 15 steps.
Maximum force component: 6.365332056035396e-09 eV/Angstrom
Maximum stress component: 1.4484140535072498e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.59520017e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [4.29680015e-36 0.00000000e+00 9.06250000e-01]
 [1.00748188e-35 1.50593377e-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, -4.586860296282792e-19, -1.724761531294024e-37], [-1.259106868552694, 2.1808370684922136, -3.4550406630215294e-37], [-1.0496868023821117e-36, -5.759030860893835e-36, 8.224451625799881]])
forces =  [[-4.86283632e-31  5.55538440e-31  6.36533206e-09]
 [-3.31086728e-31 -4.45715404e-45  6.36533206e-09]
 [ 8.12407362e-46  4.45721434e-45 -6.36533206e-09]
 [-6.20787615e-31  4.30094276e-31 -6.36533206e-09]
 [ 2.69007967e-31 -1.79205948e-31 -3.15332273e-09]
 [-3.10393808e-32  3.40491302e-31 -3.15332273e-09]
 [-3.10393808e-31  3.58411897e-32  3.15332273e-09]
 [ 4.34551331e-31 -1.79205948e-31  3.15332273e-09]]
stress =  [-1.44841405e-10 -1.44841405e-10 -1.33042534e-10  4.58140863e-34
 -7.93523252e-34  6.80105065e-26]
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