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 15:51:13      -57.527251         3.980313
BFGS:    1 15:51:13      -57.685444         4.611473
BFGS:    2 15:51:13      -57.916130         0.724983
BFGS:    3 15:51:14      -57.933220         0.680832
BFGS:    4 15:51:14      -57.968499         0.595481
BFGS:    5 15:51:14      -57.999146         0.784245
BFGS:    6 15:51:14      -58.022133         0.520867
BFGS:    7 15:51:14      -58.029377         0.209242
BFGS:    8 15:51:14      -58.030370         0.162959
BFGS:    9 15:51:14      -58.031968         0.157572
BFGS:   10 15:51:14      -58.033640         0.210577
BFGS:   11 15:51:14      -58.035189         0.154764
BFGS:   12 15:51:14      -58.035671         0.050882
BFGS:   13 15:51:14      -58.035747         0.028302
BFGS:   14 15:51:14      -58.035764         0.025224
BFGS:   15 15:51:14      -58.035790         0.016487
BFGS:   16 15:51:14      -58.035809         0.012329
BFGS:   17 15:51:14      -58.035815         0.004019
BFGS:   18 15:51:14      -58.035816         0.000448
BFGS:   19 15:51:14      -58.035816         0.000045
BFGS:   20 15:51:14      -58.035816         0.000002
BFGS:   21 15:51:15      -58.035816         0.000000
BFGS:   22 15:51:15      -58.035816         0.000000
Minimization converged after 22 steps.
Maximum force component: 9.165092705024332e-10 eV/Angstrom
Maximum stress component: 7.97901416030938e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.83509469e-01 0.00000000e+00 1.22661042e-35]
 [4.16490531e-01 0.00000000e+00 2.32757065e-36]
 [8.35094694e-02 5.00000000e-01 1.45289265e-35]
 [9.16490531e-01 5.00000000e-01 0.00000000e+00]
 [6.93205896e-01 0.00000000e+00 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([[7.711556024241626, -8.713109813650432e-36, 0.0], [4.974201452711762e-36, 2.6199264387712033, 0.0], [0.0, 0.0, 2.5207383031748187]])
forces =  [[-9.16509271e-10  2.42198149e-32  0.00000000e+00]
 [ 9.16509271e-10 -2.01831791e-32  0.00000000e+00]
 [-9.16509271e-10  3.22930866e-32  0.00000000e+00]
 [ 9.16509271e-10 -3.22930866e-32  0.00000000e+00]
 [-4.39223675e-10 -1.29172346e-31  0.00000000e+00]
 [ 4.39223675e-10  1.29172346e-31  0.00000000e+00]
 [-4.39223675e-10 -1.29172346e-31  0.00000000e+00]
 [ 4.39223675e-10  1.29172346e-31  0.00000000e+00]]
stress =  [7.97901416e-11 2.15847567e-12 5.65494518e-11 0.00000000e+00
 0.00000000e+00 1.22016718e-33]
energy per atom =  -7.254476978210889
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0