element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:48      -58.876148         0.236180
BFGS:    1 15:54:48      -58.877688         0.209554
BFGS:    2 15:54:48      -58.883590         0.072310
BFGS:    3 15:54:48      -58.883671         0.072344
BFGS:    4 15:54:48      -58.885154         0.073307
BFGS:    5 15:54:48      -58.887729         0.124672
BFGS:    6 15:54:48      -58.890418         0.163747
BFGS:    7 15:54:48      -58.893284         0.193426
BFGS:    8 15:54:48      -58.896276         0.218760
BFGS:    9 15:54:48      -58.899338         0.242276
BFGS:   10 15:54:48      -58.902427         0.265126
BFGS:   11 15:54:48      -58.905530         0.287568
BFGS:   12 15:54:48      -58.908641         0.309657
BFGS:   13 15:54:48      -58.911752         0.331411
BFGS:   14 15:54:48      -58.914856         0.352832
BFGS:   15 15:54:48      -58.917944         0.373903
BFGS:   16 15:54:48      -58.921010         0.394645
BFGS:   17 15:54:48      -58.924048         0.415120
BFGS:   18 15:54:48      -58.927044         0.435266
BFGS:   19 15:54:48      -58.929983         0.455035
BFGS:   20 15:54:48      -58.932846         0.474374
BFGS:   21 15:54:48      -58.935615         0.493205
BFGS:   22 15:54:48      -58.938266         0.511456
BFGS:   23 15:54:48      -58.940778         0.529037
BFGS:   24 15:54:48      -58.943133         0.545835
BFGS:   25 15:54:48      -58.945313         0.561695
BFGS:   26 15:54:48      -58.947306         0.576399
BFGS:   27 15:54:48      -58.949107         0.589633
BFGS:   28 15:54:48      -58.950733         0.600930
BFGS:   29 15:54:48      -58.952236         0.609600
BFGS:   30 15:54:48      -58.953728         0.614545
BFGS:   31 15:54:48      -58.955404         0.613989
BFGS:   32 15:54:48      -58.957576         0.605193
BFGS:   33 15:54:48      -58.960657         0.584406
BFGS:   34 15:54:48      -58.965221         0.545255
BFGS:   35 15:54:48      -58.972225         0.474024
BFGS:   36 15:54:48      -58.983868         0.322097
BFGS:   37 15:54:48      -58.995244         0.123242
BFGS:   38 15:54:48      -58.997751         0.083977
BFGS:   39 15:54:48      -58.998954         0.075223
BFGS:   40 15:54:48      -58.999396         0.061365
BFGS:   41 15:54:48      -58.999525         0.050022
BFGS:   42 15:54:48      -58.999778         0.023593
BFGS:   43 15:54:48      -58.999934         0.006180
BFGS:   44 15:54:48      -58.999992         0.003390
BFGS:   45 15:54:48      -58.999998         0.002305
BFGS:   46 15:54:48      -58.999999         0.002351
BFGS:   47 15:54:48      -59.000000         0.002490
BFGS:   48 15:54:48      -59.000005         0.004075
BFGS:   49 15:54:48      -59.000015         0.007037
BFGS:   50 15:54:48      -59.000031         0.008675
BFGS:   51 15:54:48      -59.000046         0.006464
BFGS:   52 15:54:48      -59.000052         0.002220
BFGS:   53 15:54:48      -59.000053         0.000248
BFGS:   54 15:54:48      -59.000053         0.000006
BFGS:   55 15:54:48      -59.000053         0.000002
BFGS:   56 15:54:48      -59.000053         0.000000
BFGS:   57 15:54:48      -59.000053         0.000000
Minimization converged after 57 steps.
Maximum force component: 4.191491537533509e-09 eV/Angstrom
Maximum stress component: 3.4940146479583866e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.90943891e-33 4.16660481e-01 2.50000000e-01]
 [0.00000000e+00 8.33395186e-02 2.50000000e-01]
 [9.06769585e-33 9.16660481e-01 7.50000000e-01]
 [0.00000000e+00 5.83339519e-01 7.50000000e-01]
 [5.00000000e-01 9.16660481e-01 2.50000000e-01]
 [5.00000000e-01 5.83339519e-01 2.50000000e-01]
 [5.00000000e-01 4.16660481e-01 7.50000000e-01]
 [5.00000000e-01 8.33395186e-02 7.50000000e-01]]
cellpar =  Cell([[2.4585205496074707, -6.97545299786291e-38, 0.0], [-3.378741349540805e-36, 4.257927099446784, 0.0], [0.0, 0.0, 6.681084434896394]])
forces =  [[ 1.21214422e-31 -4.19149154e-09  1.75168689e-10]
 [-1.21214422e-31  4.19149154e-09  1.75168689e-10]
 [ 3.03036054e-31 -4.19149154e-09 -1.75168689e-10]
 [-3.03036054e-31  4.19149154e-09 -1.75168689e-10]
 [ 1.21214422e-31 -4.19149154e-09  1.75168689e-10]
 [-1.21214422e-31  4.19149154e-09  1.75168689e-10]
 [ 3.03036054e-31 -4.19149154e-09 -1.75168689e-10]
 [-3.03036054e-31  4.19149154e-09 -1.75168689e-10]]
stress =  [-3.49401465e-10 -2.51134842e-10  4.73923408e-11  0.00000000e+00
  0.00000000e+00  1.17746605e-33]
energy per atom =  -7.3750066563394565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_oF8_69_g. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.