element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:52:57      -55.800452        22.936581
BFGS:    1 10:52:57      -57.795642        16.910347
BFGS:    2 10:52:57      -59.174157        10.634038
BFGS:    3 10:52:57      -59.920633         4.303586
BFGS:    4 10:52:57      -60.159620         3.373361
BFGS:    5 10:52:57      -60.487583         3.186713
BFGS:    6 10:52:57      -60.797123         3.004872
BFGS:    7 10:52:57      -61.088713         2.827697
BFGS:    8 10:52:58      -61.362813         2.655051
BFGS:    9 10:52:58      -61.619870         2.486804
BFGS:   10 10:52:58      -61.860316         2.322834
BFGS:   11 10:52:58      -62.084575         2.163023
BFGS:   12 10:52:58      -62.293056         2.007258
BFGS:   13 10:52:58      -62.486158         1.855433
BFGS:   14 10:52:58      -62.664270         1.707445
BFGS:   15 10:52:59      -62.827772         1.563195
BFGS:   16 10:52:59      -62.977031         1.422590
BFGS:   17 10:52:59      -63.112408         1.285537
BFGS:   18 10:52:59      -63.234254         1.151950
BFGS:   19 10:52:59      -63.342911         1.021745
BFGS:   20 10:52:59      -63.438713         0.894842
BFGS:   21 10:52:59      -63.521986         0.771161
BFGS:   22 10:52:59      -63.593050         0.650628
BFGS:   23 10:52:59      -63.652215         0.533170
BFGS:   24 10:52:59      -63.699784         0.418717
BFGS:   25 10:53:00      -63.736056         0.307200
BFGS:   26 10:53:00      -63.761320         0.198553
BFGS:   27 10:53:00      -63.775860         0.092713
BFGS:   28 10:53:00      -63.780005         0.002257
BFGS:   29 10:53:00      -63.780007         0.000054
BFGS:   30 10:53:00      -63.780007         0.000045
BFGS:   31 10:53:00      -63.780007         0.000032
BFGS:   32 10:53:00      -63.780007         0.000008
BFGS:   33 10:53:01      -63.780007         0.000003
BFGS:   34 10:53:01      -63.780007         0.000000
BFGS:   35 10:53:01      -63.780007         0.000000
BFGS:   36 10:53:01      -63.780007         0.000000
Minimization converged after 36 steps.
Maximum force component: 2.230159459329053e-09 eV/Angstrom
Maximum stress component: 1.1216912233314968e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[6.55995461e-35 0.00000000e+00 2.50000000e-01]
 [2.17432429e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.7513698714259145, -6.540128029527994e-18, 1.691760624591832e-36], [-1.3756849357129572, 2.3827562038619665, 1.4799170088339072e-36], [5.262710410253581e-35, 1.6762867329661895e-34, 34.425999914939446]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.03479512e-31  3.91596503e-32  1.39474081e-62]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.13215672e-98  6.79137887e-98  1.39474950e-62]
 [ 1.74088027e-30 -5.09075454e-31 -2.23015946e-09]
 [ 6.78265040e-31  7.04873706e-31 -2.23015946e-09]
 [-1.76348910e-30  5.48235105e-31  2.23015946e-09]
 [-6.78265040e-31 -7.04873706e-31  2.23015946e-09]
 [-5.42612032e-31  9.39831608e-31 -2.23015946e-09]
 [ 5.65220867e-31 -3.52436853e-31 -2.23015946e-09]
 [ 5.42612032e-31 -9.39831608e-31  2.23015946e-09]
 [-5.42612032e-31  3.13277203e-31  2.23015946e-09]]
stress =  [ 1.12169122e-11  1.12169122e-11  1.47277860e-20 -3.73238735e-43
 -3.23204072e-43 -6.78384548e-28]
energy per atom =  -5.3150005840887635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.