element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:52     -131.768321         2.014451
BFGS:    1 15:10:52     -131.967780         0.578882
BFGS:    2 15:10:52     -132.011312         0.422738
BFGS:    3 15:10:52     -132.035259         0.392979
BFGS:    4 15:10:52     -132.045427         0.369104
BFGS:    5 15:10:52     -132.087257         0.266296
BFGS:    6 15:10:52     -132.118406         0.252106
BFGS:    7 15:10:52     -132.137413         0.147984
BFGS:    8 15:10:52     -132.141110         0.039478
BFGS:    9 15:10:52     -132.141292         0.010195
BFGS:   10 15:10:52     -132.141315         0.000522
BFGS:   11 15:10:52     -132.141315         0.000238
BFGS:   12 15:10:52     -132.141315         0.000164
BFGS:   13 15:10:52     -132.141315         0.000052
BFGS:   14 15:10:52     -132.141315         0.000009
BFGS:   15 15:10:52     -132.141315         0.000001
BFGS:   16 15:10:52     -132.141315         0.000000
BFGS:   17 15:10:52     -132.141315         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.3748798458987701e-09 eV/Angstrom
Maximum stress component: 1.012118556556592e-10 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', 'C', 'C', 'C', 'C']
basis =  [[0.2642178  0.2642178  0.2642178 ]
 [0.7357822  0.7357822  0.2642178 ]
 [0.7357822  0.2642178  0.7357822 ]
 [0.2642178  0.7357822  0.7357822 ]
 [0.2642178  0.2642178  0.7357822 ]
 [0.7357822  0.7357822  0.7357822 ]
 [0.2642178  0.7357822  0.2642178 ]
 [0.7357822  0.2642178  0.2642178 ]
 [0.5        0.15489657 0.15489657]
 [0.5        0.84510343 0.15489657]
 [0.5        0.15489657 0.84510343]
 [0.5        0.84510343 0.84510343]
 [0.15489657 0.5        0.15489657]
 [0.15489657 0.5        0.84510343]
 [0.84510343 0.5        0.15489657]
 [0.84510343 0.5        0.84510343]
 [0.15489657 0.15489657 0.5       ]
 [0.84510343 0.15489657 0.5       ]
 [0.15489657 0.84510343 0.5       ]
 [0.84510343 0.84510343 0.5       ]]
cellpar =  Cell([[5.268983013605899, -1.947059760738526e-33, -6.847712183226968e-34], [-1.9615099604448623e-32, 5.268983013605899, -1.7929943706147248e-18], [5.773253487854561e-34, -1.7929943706147206e-18, 5.268983013605899]])
forces =  [[-2.14340777e-10 -2.14340777e-10 -2.14340777e-10]
 [ 2.14340777e-10  2.14340777e-10 -2.14340777e-10]
 [ 2.14340777e-10 -2.14340777e-10  2.14340777e-10]
 [-2.14340777e-10  2.14340777e-10  2.14340777e-10]
 [-2.14340777e-10 -2.14340777e-10  2.14340777e-10]
 [ 2.14340777e-10  2.14340777e-10  2.14340777e-10]
 [-2.14340777e-10  2.14340777e-10 -2.14340777e-10]
 [ 2.14340777e-10 -2.14340777e-10 -2.14340777e-10]
 [-4.32968199e-32 -1.37487985e-09 -1.37487985e-09]
 [ 6.49452298e-32  1.37487985e-09 -1.37487985e-09]
 [-9.20057423e-32 -1.37487985e-09  1.37487985e-09]
 [-4.32968199e-32  1.37487985e-09  1.37487985e-09]
 [-1.37487985e-09  4.67861031e-28 -1.37487985e-09]
 [-1.37487985e-09 -4.67817734e-28  1.37487985e-09]
 [ 1.37487985e-09  4.67774437e-28 -1.37487985e-09]
 [ 1.37487985e-09 -4.67920564e-28  1.37487985e-09]
 [-1.37487985e-09 -1.37487985e-09  4.67882679e-28]
 [ 1.37487985e-09 -1.37487985e-09  4.67955743e-28]
 [-1.37487985e-09  1.37487985e-09 -4.67882679e-28]
 [ 1.37487985e-09  1.37487985e-09 -4.67904328e-28]]
stress =  [ 1.01211856e-10  1.01211856e-10  1.01211856e-10 -5.39199877e-29
  1.27904038e-59 -9.46242663e-59]
energy per atom =  -6.607065767816626
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0