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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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 09:48:37      -54.799037         2.015892
BFGS:    1 09:48:37      -54.846076         1.651792
BFGS:    2 09:48:37      -54.931247         0.176493
BFGS:    3 09:48:37      -54.932154         0.162683
BFGS:    4 09:48:37      -54.937528         0.008481
BFGS:    5 09:48:37      -54.937531         0.006988
BFGS:    6 09:48:38      -54.937532         0.005784
BFGS:    7 09:48:38      -54.937534         0.001939
BFGS:    8 09:48:38      -54.937535         0.000881
BFGS:    9 09:48:38      -54.937535         0.000152
BFGS:   10 09:48:38      -54.937535         0.000030
BFGS:   11 09:48:38      -54.937535         0.000001
BFGS:   12 09:48:38      -54.937535         0.000000
BFGS:   13 09:48:38      -54.937535         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.876570479510316e-11 eV/Angstrom
Maximum stress component: 5.766268306377339e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17314853e-01 8.17314853e-01 1.92095110e-35]
 [1.82685147e-01 1.82685147e-01 4.80237775e-36]
 [1.82685147e-01 8.17314853e-01 0.00000000e+00]
 [8.17314853e-01 1.82685147e-01 9.60475549e-36]
 [3.17314853e-01 3.17314853e-01 5.00000000e-01]
 [6.82685147e-01 6.82685147e-01 5.00000000e-01]
 [6.82685147e-01 3.17314853e-01 5.00000000e-01]
 [3.17314853e-01 6.82685147e-01 5.00000000e-01]]
cellpar =  Cell([[4.401763627079197, -3.087270566057082e-37, 9.988797656171675e-33], [-1.0647814502099773e-37, 4.401763627079197, -3.11443189182129e-19], [6.201053455747236e-38, -1.793042457253535e-19, 2.506479662960333]])
forces =  [[-7.87657048e-11 -7.87657048e-11  5.32584511e-30]
 [ 7.87657048e-11  7.87657048e-11 -5.31812143e-30]
 [ 7.87657048e-11 -7.87657048e-11  5.44942410e-30]
 [-7.87657048e-11  7.87657048e-11 -5.44942410e-30]
 [-7.87657048e-11 -7.87657048e-11  5.38763461e-30]
 [ 7.87657048e-11  7.87657048e-11 -5.32584511e-30]
 [ 7.87657048e-11 -7.87657048e-11  5.48031885e-30]
 [-7.87657048e-11  7.87657048e-11 -5.44942410e-30]]
stress =  [-5.76626831e-11 -5.76626831e-11  5.29346813e-11  1.89759469e-26
 -1.78751436e-32 -3.66570490e-48]
energy per atom =  -6.867191836413018
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0