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 16:31:34     -114.899282        0.9636
BFGS:    1 16:31:34     -114.968282        0.6427
BFGS:    2 16:31:34     -114.992957        0.5439
BFGS:    3 16:31:34     -115.008036        0.5260
BFGS:    4 16:31:34     -115.066454        0.4156
BFGS:    5 16:31:34     -115.110192        0.3634
BFGS:    6 16:31:34     -115.143220        0.3008
BFGS:    7 16:31:34     -115.165246        0.2354
BFGS:    8 16:31:34     -115.175566        0.1595
BFGS:    9 16:31:34     -115.176580        0.1353
BFGS:   10 16:31:34     -115.177390        0.1275
BFGS:   11 16:31:34     -115.179605        0.1236
BFGS:   12 16:31:34     -115.181711        0.1004
BFGS:   13 16:31:34     -115.183055        0.0641
BFGS:   14 16:31:34     -115.183355        0.0303
BFGS:   15 16:31:34     -115.183402        0.0311
BFGS:   16 16:31:34     -115.183431        0.0286
BFGS:   17 16:31:34     -115.183497        0.0231
BFGS:   18 16:31:34     -115.183592        0.0305
BFGS:   19 16:31:34     -115.183679        0.0233
BFGS:   20 16:31:34     -115.183712        0.0082
BFGS:   21 16:31:34     -115.183716        0.0009
BFGS:   22 16:31:34     -115.183716        0.0001
BFGS:   23 16:31:34     -115.183716        0.0000
BFGS:   24 16:31:34     -115.183716        0.0000
BFGS:   25 16:31:34     -115.183716        0.0000
BFGS:   26 16:31:34     -115.183716        0.0000
BFGS:   27 16:31:34     -115.183716        0.0000
Minimization converged after 27 steps.
Maximum force component: 6.724357841381148e-10 eV/Angstrom
Maximum stress component: 3.146204313071482e-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 6.43885210e-36]
 [8.14079718e-01 8.31627635e-01 1.37344591e-35]
 [8.14079718e-01 1.68372365e-01 0.00000000e+00]
 [1.85920282e-01 8.31627635e-01 0.00000000e+00]
 [6.85920282e-01 6.68372365e-01 1.01213665e-35]
 [3.14079718e-01 3.31627635e-01 1.90441851e-35]
 [3.14079718e-01 6.68372365e-01 0.00000000e+00]
 [6.85920282e-01 3.31627635e-01 0.00000000e+00]
 [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, 2.060078827175672e-37, 0.0], [3.591817209907369e-36, 8.904959510968464, 0.0], [0.0, 0.0, 2.551985892957397]])
forces =  [[-6.72435784e-10  3.25018036e-10  0.00000000e+00]
 [ 6.72435784e-10 -3.25018036e-10  0.00000000e+00]
 [ 6.72435784e-10  3.25018036e-10  0.00000000e+00]
 [-6.72435784e-10 -3.25018036e-10  0.00000000e+00]
 [-6.72435784e-10  3.25018036e-10  0.00000000e+00]
 [ 6.72435784e-10 -3.25018036e-10  0.00000000e+00]
 [ 6.72435784e-10  3.25018036e-10  0.00000000e+00]
 [-6.72435784e-10 -3.25018036e-10  0.00000000e+00]
 [-1.61576164e-10 -1.57895374e-10  0.00000000e+00]
 [ 1.61576164e-10  1.57895374e-10  0.00000000e+00]
 [ 1.61576164e-10 -1.57895374e-10  0.00000000e+00]
 [-1.61576164e-10  1.57895374e-10  0.00000000e+00]
 [-1.61576164e-10 -1.57895374e-10  0.00000000e+00]
 [ 1.61576164e-10  1.57895374e-10  0.00000000e+00]
 [ 1.61576164e-10 -1.57895374e-10  0.00000000e+00]
 [-1.61576164e-10  1.57895374e-10  0.00000000e+00]]
stress =  [ 3.14620431e-11  2.72124274e-11 -1.25571270e-11  0.00000000e+00
  0.00000000e+00  1.32799881e-33]
energy per atom =  -7.19898226477393
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0