element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:56      -52.331574        1.0615
BFGS:    1 17:33:56      -52.378267        0.9911
BFGS:    2 17:33:56      -52.509333        0.7555
BFGS:    3 17:33:56      -52.604654        0.5145
BFGS:    4 17:33:56      -52.663399        0.2678
BFGS:    5 17:33:56      -52.684708        0.0153
BFGS:    6 17:33:56      -52.684776        0.0002
BFGS:    7 17:33:56      -52.684777        0.0000
BFGS:    8 17:33:56      -52.684777        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.7774011560766806e-30 eV/Angstrom
Maximum stress component: 4.499776022654333e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.33493265e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 7.02579756e-36]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.13465160e-37 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 4.21547854e-35]
 [5.00000000e-01 3.62531154e-33 7.50000000e-01]
 [5.00000000e-01 3.65341473e-33 2.50000000e-01]]
cellpar =  Cell([[6.853065177514692, -4.355591096662565e-32, -2.1021025905996081e-32], [-2.526716519374497e-32, 6.853065177514692, 1.7173476597484956e-18], [-3.8523544483070084e-33, 1.7173476597483897e-18, 6.853065177514692]])
forces =  [[-1.68941100e-31  1.40784250e-32  3.52799070e-51]
 [ 2.60450862e-31 -1.40784250e-32 -3.52799070e-51]
 [-1.09987695e-34  1.36560722e-30  1.40784250e-32]
 [ 5.45023249e-63 -1.47823462e-30 -3.70439024e-49]
 [ 1.40784250e-32  2.19975391e-33 -1.37968565e-30]
 [-1.40784250e-32  3.51960625e-33  1.22482297e-30]
 [ 6.02442428e-63 -1.63309730e-30 -5.71936016e-33]
 [-4.78335579e-63  1.29521510e-30  1.40784250e-32]
 [ 5.34980150e-31 -7.03921250e-33 -1.76399535e-51]
 [-1.75980312e-32  1.40784250e-32  3.52799070e-51]
 [ 1.40784250e-32 -4.45408826e-49 -1.77740116e-30]
 [-7.03921250e-33  2.75183275e-49  1.09811715e-30]]
stress =  [-4.49977602e-14 -4.49977602e-14 -4.49977602e-14  1.93239434e-31
  1.36694017e-34  7.76668755e-51]
energy per atom =  -4.3903980424173925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0