element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:42:54      -57.527251        3.9803
BFGS:    1 16:42:54      -57.685444        4.6115
BFGS:    2 16:42:54      -57.916130        0.7250
BFGS:    3 16:42:54      -57.933220        0.6808
BFGS:    4 16:42:54      -57.968499        0.5955
BFGS:    5 16:42:54      -57.999146        0.7842
BFGS:    6 16:42:54      -58.022133        0.5209
BFGS:    7 16:42:54      -58.029377        0.2092
BFGS:    8 16:42:54      -58.030370        0.1630
BFGS:    9 16:42:54      -58.031968        0.1576
BFGS:   10 16:42:54      -58.033640        0.2106
BFGS:   11 16:42:54      -58.035189        0.1548
BFGS:   12 16:42:54      -58.035671        0.0509
BFGS:   13 16:42:54      -58.035747        0.0283
BFGS:   14 16:42:54      -58.035764        0.0252
BFGS:   15 16:42:54      -58.035790        0.0165
BFGS:   16 16:42:55      -58.035809        0.0123
BFGS:   17 16:42:55      -58.035815        0.0040
BFGS:   18 16:42:55      -58.035816        0.0004
BFGS:   19 16:42:55      -58.035816        0.0000
BFGS:   20 16:42:55      -58.035816        0.0000
BFGS:   21 16:42:55      -58.035816        0.0000
BFGS:   22 16:42:55      -58.035816        0.0000
Minimization converged after 22 steps.
Maximum force component: 9.169430867721854e-10 eV/Angstrom
Maximum stress component: 7.98057265800063e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.83509469e-01 4.98997352e-36 0.00000000e+00]
 [4.16490531e-01 7.67010064e-37 4.12304644e-36]
 [8.35094694e-02 5.00000000e-01 0.00000000e+00]
 [9.16490531e-01 5.00000000e-01 4.69022246e-36]
 [6.93205896e-01 2.17466455e-36 5.00000000e-01]
 [3.06794104e-01 0.00000000e+00 5.00000000e-01]
 [1.93205896e-01 5.00000000e-01 5.00000000e-01]
 [8.06794104e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.71155602424163, 2.5230178294773865e-36, 0.0], [1.618677422296764e-36, 2.619926438771202, 0.0], [0.0, 0.0, 2.520738303174819]])
forces =  [[-9.16943087e-10 -3.22930866e-32 -1.55352492e-32]
 [ 9.16943087e-10 -3.22930866e-32  0.00000000e+00]
 [-9.16943087e-10 -3.22930866e-32 -6.21409969e-32]
 [ 9.16943087e-10 -4.03663582e-32  0.00000000e+00]
 [-4.39067842e-10  1.29172346e-31 -6.21409969e-32]
 [ 4.39067842e-10 -2.58344693e-31  0.00000000e+00]
 [-4.39067842e-10  7.75034078e-31 -6.21409969e-32]
 [ 4.39067842e-10 -6.45861732e-31  0.00000000e+00]]
stress =  [7.98057266e-11 2.15635930e-12 5.65482998e-11 0.00000000e+00
 0.00000000e+00 9.76133745e-33]
energy per atom =  -7.2544769782108895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0