element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:30:45      -40.589715         1.993205
BFGS:    1 16:30:45      -40.755643         1.892006
BFGS:    2 16:30:45      -41.026404         1.719156
BFGS:    3 16:30:45      -41.271692         1.552340
BFGS:    4 16:30:45      -41.492399         1.391384
BFGS:    5 16:30:45      -41.689392         1.236124
BFGS:    6 16:30:45      -41.863513         1.086395
BFGS:    7 16:30:45      -42.015579         0.942039
BFGS:    8 16:30:45      -42.146386         0.802903
BFGS:    9 16:30:45      -42.256703         0.668836
BFGS:   10 16:30:45      -42.347282         0.539691
BFGS:   11 16:30:45      -42.418850         0.415327
BFGS:   12 16:30:45      -42.472113         0.295604
BFGS:   13 16:30:45      -42.507756         0.180389
BFGS:   14 16:30:45      -42.526448         0.069548
BFGS:   15 16:30:45      -42.529810         0.002176
BFGS:   16 16:30:45      -42.529814         0.000028
BFGS:   17 16:30:45      -42.529814         0.000000
BFGS:   18 16:30:45      -42.529814         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.428253041332926e-31 eV/Angstrom
Maximum stress component: 4.628882996521261e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.490782100646533, -8.65608891416067e-33, 4.857018825453567e-33], [-5.8291898126045185e-33, 4.490782100646533, 1.9368723865967224e-17], [-1.2325631569817859e-33, 1.9368723865967227e-17, 4.490782100646533]])
forces =  [[ 1.84510543e-32  3.69021087e-32  1.84510543e-32]
 [-3.69021087e-32  1.75285016e-31  7.38042174e-32]
 [ 1.66059489e-31  9.22552717e-32 -4.61276358e-32]
 [ 2.76765815e-31 -3.69021087e-32  4.42825304e-31]
 [-2.21412652e-31 -1.47608435e-31  1.47608435e-31]
 [ 2.21412652e-31  1.39292279e-49  3.22959467e-32]
 [ 7.38042174e-32  1.84510543e-31  3.69021087e-32]
 [ 3.55182796e-31  3.69021087e-31 -1.84510543e-31]]
stress =  [-4.62888300e-15 -4.62888300e-15 -4.62888300e-15  4.33593196e-31
 -5.09325298e-34  3.19201101e-50]
energy per atom =  -5.316226690823461
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0