element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:35     -114.899282         0.963611
BFGS:    1 15:42:35     -114.968282         0.642706
BFGS:    2 15:42:35     -114.992957         0.543937
BFGS:    3 15:42:35     -115.008036         0.525964
BFGS:    4 15:42:35     -115.066454         0.415586
BFGS:    5 15:42:35     -115.110192         0.363362
BFGS:    6 15:42:35     -115.143220         0.300833
BFGS:    7 15:42:35     -115.165246         0.235386
BFGS:    8 15:42:35     -115.175566         0.159487
BFGS:    9 15:42:35     -115.176580         0.135337
BFGS:   10 15:42:35     -115.177390         0.127522
BFGS:   11 15:42:35     -115.179605         0.123638
BFGS:   12 15:42:35     -115.181711         0.100363
BFGS:   13 15:42:35     -115.183055         0.064075
BFGS:   14 15:42:35     -115.183355         0.030293
BFGS:   15 15:42:35     -115.183402         0.031129
BFGS:   16 15:42:35     -115.183431         0.028632
BFGS:   17 15:42:35     -115.183497         0.023058
BFGS:   18 15:42:35     -115.183592         0.030528
BFGS:   19 15:42:35     -115.183679         0.023257
BFGS:   20 15:42:35     -115.183712         0.008174
BFGS:   21 15:42:35     -115.183716         0.000939
BFGS:   22 15:42:35     -115.183716         0.000095
BFGS:   23 15:42:35     -115.183716         0.000023
BFGS:   24 15:42:35     -115.183716         0.000005
BFGS:   25 15:42:35     -115.183716         0.000001
BFGS:   26 15:42:35     -115.183716         0.000000
BFGS:   27 15:42:35     -115.183716         0.000000
Minimization converged after 27 steps.
Maximum force component: 6.72498263673549e-10 eV/Angstrom
Maximum stress component: 3.146411089766901e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.85920282e-01 1.68372365e-01 0.00000000e+00]
 [8.14079718e-01 8.31627635e-01 5.60865103e-35]
 [8.14079718e-01 1.68372365e-01 0.00000000e+00]
 [1.85920282e-01 8.31627635e-01 1.03532124e-35]
 [6.85920282e-01 6.68372365e-01 0.00000000e+00]
 [3.14079718e-01 3.31627635e-01 5.47126743e-35]
 [3.14079718e-01 6.68372365e-01 0.00000000e+00]
 [6.85920282e-01 3.31627635e-01 1.08174882e-35]
 [1.88338371e-01 4.09975071e-01 5.00000000e-01]
 [8.11661629e-01 5.90024929e-01 5.00000000e-01]
 [8.11661629e-01 4.09975071e-01 5.00000000e-01]
 [1.88338371e-01 5.90024929e-01 5.00000000e-01]
 [6.88338371e-01 9.09975071e-01 5.00000000e-01]
 [3.11661629e-01 9.00249293e-02 5.00000000e-01]
 [3.11661629e-01 9.09975071e-01 5.00000000e-01]
 [6.88338371e-01 9.00249293e-02 5.00000000e-01]]
cellpar =  Cell([[4.169181633319525, -1.4624519655228586e-37, 0.0], [1.95500093985426e-36, 8.904959510968464, 0.0], [0.0, 0.0, 2.5519858929573975]])
forces =  [[-6.72498264e-10  3.24936938e-10  0.00000000e+00]
 [ 6.72498264e-10 -3.24936938e-10  0.00000000e+00]
 [ 6.72498264e-10  3.24936938e-10  0.00000000e+00]
 [-6.72498264e-10 -3.24936938e-10  0.00000000e+00]
 [-6.72498264e-10  3.24936938e-10  0.00000000e+00]
 [ 6.72498264e-10 -3.24936938e-10  0.00000000e+00]
 [ 6.72498264e-10  3.24936938e-10  0.00000000e+00]
 [-6.72498264e-10 -3.24936938e-10  0.00000000e+00]
 [-1.61592994e-10 -1.57949601e-10  0.00000000e+00]
 [ 1.61592994e-10  1.57949601e-10  0.00000000e+00]
 [ 1.61592994e-10 -1.57949601e-10  0.00000000e+00]
 [-1.61592994e-10  1.57949601e-10  0.00000000e+00]
 [-1.61592994e-10 -1.57949601e-10  0.00000000e+00]
 [ 1.61592994e-10  1.57949601e-10  0.00000000e+00]
 [ 1.61592994e-10 -1.57949601e-10  0.00000000e+00]
 [-1.61592994e-10  1.57949601e-10  0.00000000e+00]]
stress =  [ 3.14641109e-11  2.72100569e-11 -1.25549730e-11  0.00000000e+00
  0.00000000e+00  8.29999256e-35]
energy per atom =  -7.198982264773931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0