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:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 14:47:20      -58.969544         0.511618
BFGS:    1 14:47:20      -58.979940         0.333029
BFGS:    2 14:47:20      -58.982654         0.340063
BFGS:    3 14:47:20      -58.985249         0.299720
BFGS:    4 14:47:20      -58.992773         0.144553
BFGS:    5 14:47:20      -58.994134         0.086831
BFGS:    6 14:47:20      -58.994347         0.028116
BFGS:    7 14:47:20      -58.994378         0.026422
BFGS:    8 14:47:20      -58.994436         0.026680
BFGS:    9 14:47:20      -58.994486         0.028889
BFGS:   10 14:47:20      -58.994509         0.013266
BFGS:   11 14:47:20      -58.994512         0.002325
BFGS:   12 14:47:20      -58.994512         0.000090
BFGS:   13 14:47:20      -58.994512         0.000009
BFGS:   14 14:47:20      -58.994512         0.000000
BFGS:   15 14:47:20      -58.994512         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.3652640729235794e-09 eV/Angstrom
Maximum stress component: 1.4484102120771172e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.64701440e-36 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 6.80195291e-36 5.93750000e-01]
 [2.25889434e-35 2.39998772e-35 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 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([[2.5182137371053885, -4.64171204369697e-20, -4.4018596329579525e-37], [-1.2591068685526943, 2.1808370684922136, -8.493890475401046e-37], [-1.452374991383212e-36, 3.235413132911273e-36, 8.224451625799883]])
forces =  [[ 6.62173456e-31  2.50401602e-45  6.36526407e-09]
 [-1.65543364e-31  2.86729517e-31  6.36526407e-09]
 [-6.62173456e-31 -2.50401602e-45 -6.36526407e-09]
 [ 3.31086728e-31 -2.86729517e-31 -6.36526407e-09]
 [-8.27716820e-31  2.86729517e-31 -3.15328250e-09]
 [ 3.31086728e-31 -2.86729517e-31 -3.15328250e-09]
 [-6.62173456e-31  2.86729517e-31  3.15328250e-09]
 [-3.31086728e-31  5.73459035e-31  3.15328250e-09]]
stress =  [-1.44841021e-10 -1.44841021e-10 -1.33040378e-10 -5.49769036e-33
 -3.17409301e-33  6.01274792e-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