element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:57      -14.518959        14.368876
BFGS:    1 15:27:57      -16.575321        12.964184
BFGS:    2 15:27:57      -18.385955        11.114937
BFGS:    3 15:27:57      -19.894646         8.962789
BFGS:    4 15:27:57      -21.067079         6.656220
BFGS:    5 15:27:57      -21.891019         4.339303
BFGS:    6 15:27:57      -22.374881         2.141843
BFGS:    7 15:27:57      -22.544227         0.217681
BFGS:    8 15:27:57      -22.546164         0.017125
BFGS:    9 15:27:57      -22.546176         0.000176
BFGS:   10 15:27:57      -22.546176         0.000000
BFGS:   11 15:27:57      -22.546176         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.1127434160866307e-31 eV/Angstrom
Maximum stress component: 6.553603850293167e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 1.55671772e-33]
 [1.02786793e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.47443069e-33]
 [5.00000000e-01 2.94886137e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.224877541197709, 9.812385027183511e-34, 6.410908956168242e-33], [3.161455015034834e-33, 5.224877541197709, -1.674903474245966e-17], [8.935087346277532e-34, -1.6749034742459664e-17, 5.224877541197709]])
forces =  [[ 1.42632281e-65 -6.44015879e-32  3.11274342e-31]
 [ 8.58687839e-32  1.37631862e-49 -4.29343919e-32]
 [-1.71737568e-31 -4.56177914e-32  8.05019849e-32]
 [ 8.58687839e-32  1.07335980e-31 -6.44015879e-32]
 [ 1.71737568e-31 -1.21042781e-31  1.07335980e-32]
 [-1.50270372e-31  8.58687839e-32 -6.83425599e-32]
 [ 8.05019849e-32  8.58687839e-32  1.71737568e-31]
 [ 8.31853844e-32 -3.09671688e-49  9.66023819e-32]]
stress =  [6.55360385e-14 6.55360385e-14 6.55360385e-14 1.38925678e-29
 3.01007259e-34 3.39786646e-50]
energy per atom =  -2.818271998652617
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0