element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:58:29      -66.456725         8.610858
BFGS:    1 16:58:29      -69.154480         5.042218
BFGS:    2 16:58:29      -70.681772         2.523814
BFGS:    3 16:58:30      -71.406369         0.957834
BFGS:    4 16:58:30      -71.574799         0.874312
BFGS:    5 16:58:30      -71.634146         0.779411
BFGS:    6 16:58:30      -71.701534         0.621271
BFGS:    7 16:58:30      -71.768866         0.593851
BFGS:    8 16:58:30      -71.836673         0.549059
BFGS:    9 16:58:30      -71.896888         0.370904
BFGS:   10 16:58:30      -71.923415         0.042181
BFGS:   11 16:58:30      -71.924235         0.014327
BFGS:   12 16:58:30      -71.924335         0.000121
BFGS:   13 16:58:30      -71.924335         0.000010
BFGS:   14 16:58:30      -71.924335         0.000000
BFGS:   15 16:58:31      -71.924335         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.068572380724114e-11 eV/Angstrom
Maximum stress component: 1.163846534673776e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.96562332e-01 3.96562332e-01 3.96562332e-01]
 [1.03437668e-01 6.03437668e-01 8.96562332e-01]
 [6.03437668e-01 8.96562332e-01 1.03437668e-01]
 [8.96562332e-01 1.03437668e-01 6.03437668e-01]
 [6.03437668e-01 6.03437668e-01 6.03437668e-01]
 [8.96562332e-01 3.96562332e-01 1.03437668e-01]
 [3.96562332e-01 1.03437668e-01 8.96562332e-01]
 [1.03437668e-01 8.96562332e-01 3.96562332e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 3.36545860e-54 5.00000000e-01]
 [2.15389351e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.653371967038768, -9.25728487456702e-38, 0.0], [-2.7383781115518417e-36, 4.653371967038768, 0.0], [0.0, 0.0, 4.653371967038768]])
forces =  [[ 6.06857238e-11  6.06857238e-11  6.06857238e-11]
 [-6.06857238e-11 -6.06857238e-11  6.06857238e-11]
 [-6.06857238e-11  6.06857238e-11 -6.06857238e-11]
 [ 6.06857238e-11 -6.06857238e-11 -6.06857238e-11]
 [-6.06857238e-11 -6.06857238e-11 -6.06857238e-11]
 [ 6.06857238e-11  6.06857238e-11 -6.06857238e-11]
 [ 6.06857238e-11 -6.06857238e-11  6.06857238e-11]
 [-6.06857238e-11  6.06857238e-11  6.06857238e-11]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.16384653e-11 -1.16384653e-11 -1.16384653e-11  0.00000000e+00
  0.00000000e+00 -1.21434934e-32]
energy per atom =  -5.993694604418638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0