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 16:37:35     -131.768321         2.014451
BFGS:    1 16:37:35     -131.967780         0.578882
BFGS:    2 16:37:35     -132.011312         0.422738
BFGS:    3 16:37:35     -132.035259         0.392979
BFGS:    4 16:37:35     -132.045427         0.369104
BFGS:    5 16:37:35     -132.087257         0.266296
BFGS:    6 16:37:35     -132.118406         0.252106
BFGS:    7 16:37:35     -132.137413         0.147984
BFGS:    8 16:37:35     -132.141110         0.039478
BFGS:    9 16:37:35     -132.141292         0.010195
BFGS:   10 16:37:35     -132.141315         0.000522
BFGS:   11 16:37:35     -132.141315         0.000238
BFGS:   12 16:37:35     -132.141315         0.000164
BFGS:   13 16:37:35     -132.141315         0.000052
BFGS:   14 16:37:35     -132.141315         0.000009
BFGS:   15 16:37:35     -132.141315         0.000001
BFGS:   16 16:37:35     -132.141315         0.000000
BFGS:   17 16:37:35     -132.141315         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.3748831480575625e-09 eV/Angstrom
Maximum stress component: 1.0121208521038698e-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, -5.143288200183317e-32, -1.820987478309581e-32], [-1.1600296051398428e-32, 5.268983013605899, 4.532154289356032e-18], [1.906102110647168e-32, 4.5321542893560195e-18, 5.268983013605899]])
forces =  [[-2.14333605e-10 -2.14333605e-10 -2.14333605e-10]
 [ 2.14333605e-10  2.14333605e-10 -2.14333605e-10]
 [ 2.14333605e-10 -2.14333605e-10  2.14333605e-10]
 [-2.14333605e-10  2.14333605e-10  2.14333605e-10]
 [-2.14333605e-10 -2.14333605e-10  2.14333605e-10]
 [ 2.14333605e-10  2.14333605e-10  2.14333605e-10]
 [-2.14333605e-10  2.14333605e-10 -2.14333605e-10]
 [ 2.14333605e-10 -2.14333605e-10 -2.14333605e-10]
 [-8.65936398e-32 -1.37488315e-09 -1.37488315e-09]
 [ 4.32968199e-32  1.37488315e-09 -1.37488315e-09]
 [ 3.89671379e-31 -1.37488315e-09  1.37488315e-09]
 [ 1.73187280e-31  1.37488315e-09  1.37488315e-09]
 [-1.37488315e-09 -1.18252921e-27 -1.37488315e-09]
 [-1.37488315e-09  1.18261580e-27  1.37488315e-09]
 [ 1.37488315e-09 -1.18200964e-27 -1.37488315e-09]
 [ 1.37488315e-09  1.18261580e-27  1.37488315e-09]
 [-1.37488315e-09 -1.37488315e-09 -1.18252921e-27]
 [ 1.37488315e-09 -1.37488315e-09 -1.18261580e-27]
 [-1.37488315e-09  1.37488315e-09  1.18322195e-27]
 [ 1.37488315e-09  1.37488315e-09  1.18261580e-27]]
stress =  [1.01212085e-10 1.01212085e-10 1.01212085e-10 7.68314646e-28
 1.29477674e-58 4.28375479e-60]
energy per atom =  -6.60706576781663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0