element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:27:50      -54.521263         2.015041
BFGS:    1 16:27:50      -54.568631         1.647842
BFGS:    2 16:27:50      -54.653539         0.184198
BFGS:    3 16:27:50      -54.654489         0.169892
BFGS:    4 16:27:50      -54.660138         0.013496
BFGS:    5 16:27:50      -54.660143         0.011938
BFGS:    6 16:27:50      -54.660146         0.009496
BFGS:    7 16:27:50      -54.660152         0.003937
BFGS:    8 16:27:50      -54.660154         0.001556
BFGS:    9 16:27:51      -54.660154         0.000290
BFGS:   10 16:27:51      -54.660154         0.000060
BFGS:   11 16:27:51      -54.660154         0.000003
BFGS:   12 16:27:51      -54.660154         0.000000
BFGS:   13 16:27:51      -54.660154         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.4510208180447707e-10 eV/Angstrom
Maximum stress component: 1.8037533406450242e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81730788 0.81730788 0.        ]
 [0.18269212 0.18269212 0.        ]
 [0.18269212 0.81730788 0.        ]
 [0.81730788 0.18269212 0.        ]
 [0.31730788 0.31730788 0.5       ]
 [0.68269212 0.68269212 0.5       ]
 [0.68269212 0.31730788 0.5       ]
 [0.31730788 0.68269212 0.5       ]]
cellpar =  Cell([[4.402809818994851, -1.245382150956992e-36, 8.975756090605372e-38], [-1.3730630452735103e-36, 4.402809818994853, 1.5849243981558628e-18], [-4.200092909067948e-33, 9.077871228156684e-19, 2.5081221510417735]])
forces =  [[-3.45102082e-10 -3.45102082e-10 -1.24229919e-28]
 [ 3.45102082e-10  3.45102082e-10  1.24229919e-28]
 [ 3.45102082e-10 -3.45102082e-10 -1.24168089e-28]
 [-3.45102082e-10  3.45102082e-10  1.24168089e-28]
 [-3.45102082e-10 -3.45102082e-10 -1.24229919e-28]
 [ 3.45102082e-10  3.45102082e-10  1.24229919e-28]
 [ 3.45102082e-10 -3.45102082e-10 -1.24152632e-28]
 [-3.45102082e-10  3.45102082e-10  1.24168089e-28]]
stress =  [-1.80375334e-10 -1.80375334e-10  1.17815744e-10 -2.95246335e-26
  1.39524945e-34  6.66606882e-51]
energy per atom =  -6.832519296137866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0