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 17:28:57      -54.799037         2.015892
BFGS:    1 17:28:58      -54.846076         1.651792
BFGS:    2 17:28:58      -54.931247         0.176493
BFGS:    3 17:28:58      -54.932154         0.162683
BFGS:    4 17:28:59      -54.937528         0.008481
BFGS:    5 17:28:59      -54.937531         0.006988
BFGS:    6 17:28:59      -54.937532         0.005784
BFGS:    7 17:28:59      -54.937534         0.001939
BFGS:    8 17:28:59      -54.937535         0.000881
BFGS:    9 17:28:59      -54.937535         0.000152
BFGS:   10 17:28:59      -54.937535         0.000030
BFGS:   11 17:28:59      -54.937535         0.000001
BFGS:   12 17:29:00      -54.937535         0.000000
BFGS:   13 17:29:00      -54.937535         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.87715052462328e-11 eV/Angstrom
Maximum stress component: 5.7664616132592445e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81731485 0.81731485 0.        ]
 [0.18268515 0.18268515 0.        ]
 [0.18268515 0.81731485 0.        ]
 [0.81731485 0.18268515 0.        ]
 [0.31731485 0.31731485 0.5       ]
 [0.68268515 0.68268515 0.5       ]
 [0.68268515 0.31731485 0.5       ]
 [0.31731485 0.68268515 0.5       ]]
cellpar =  Cell([[4.401763627079196, 6.058872707745497e-36, -1.2020466877086816e-36], [2.167140596701939e-36, 4.401763627079196, -4.467886564602731e-19], [-2.100212354009033e-33, -2.558439489388962e-19, 2.506479662960332]])
forces =  [[-7.87715052e-11 -7.87715052e-11  7.99548044e-30]
 [ 7.87715052e-11  7.87715052e-11 -7.25400651e-30]
 [ 7.87715052e-11 -7.87715052e-11  8.24263842e-30]
 [-7.87715052e-11  7.87715052e-11 -7.62474348e-30]
 [-7.87715052e-11 -7.87715052e-11  7.87190145e-30]
 [ 7.87715052e-11  7.87715052e-11 -7.62474348e-30]
 [ 7.87715052e-11 -7.87715052e-11  8.05726994e-30]
 [-7.87715052e-11  7.87715052e-11 -7.74832247e-30]]
stress =  [-5.76646161e-11 -5.76646161e-11  5.29353761e-11  6.17226708e-27
 -2.68127154e-32 -5.49855736e-48]
energy per atom =  -6.867191836413022
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0