element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
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:
['2.4675532', '5.0459694', '0.83331463']
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.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:54:28      -44.154023        0.2299
BFGS:    1 15:54:28      -44.155497        0.1948
BFGS:    2 15:54:28      -44.159498        0.0737
BFGS:    3 15:54:28      -44.159583        0.0738
BFGS:    4 15:54:28      -44.162565        0.0831
BFGS:    5 15:54:28      -44.165031        0.1378
BFGS:    6 15:54:28      -44.167604        0.1756
BFGS:    7 15:54:28      -44.170342        0.2042
BFGS:    8 15:54:28      -44.173243        0.2281
BFGS:    9 15:54:28      -44.176621        0.2438
BFGS:   10 15:54:28      -44.180523        0.2521
BFGS:   11 15:54:28      -44.184848        0.2551
BFGS:   12 15:54:28      -44.189470        0.2551
BFGS:   13 15:54:28      -44.194285        0.2533
BFGS:   14 15:54:28      -44.199205        0.2508
BFGS:   15 15:54:28      -44.204152        0.2482
BFGS:   16 15:54:28      -44.209050        0.2460
BFGS:   17 15:54:28      -44.213881        0.2439
BFGS:   18 15:54:28      -44.218634        0.2411
BFGS:   19 15:54:28      -44.223287        0.2371
BFGS:   20 15:54:28      -44.227806        0.2313
BFGS:   21 15:54:28      -44.232150        0.2230
BFGS:   22 15:54:28      -44.236265        0.2114
BFGS:   23 15:54:28      -44.240088        0.1950
BFGS:   24 15:54:28      -44.243555        0.1721
BFGS:   25 15:54:28      -44.246563        0.1392
BFGS:   26 15:54:28      -44.248907        0.0891
BFGS:   27 15:54:28      -44.249900        0.0312
BFGS:   28 15:54:28      -44.250107        0.0086
BFGS:   29 15:54:28      -44.250155        0.0008
BFGS:   30 15:54:28      -44.250156        0.0002
BFGS:   31 15:54:28      -44.250156        0.0000
BFGS:   32 15:54:28      -44.250156        0.0000
BFGS:   33 15:54:28      -44.250156        0.0000
BFGS:   34 15:54:28      -44.250156        0.0000
BFGS:   35 15:54:28      -44.250156        0.0000
Minimization converged after 35 steps.
Maximum force component: 1.2862188252947724e-09 eV/Angstrom
Maximum stress component: 1.1305652082727299e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.45145115e-31 3.70507444e-31 3.33316007e-01]
 [0.00000000e+00 1.00000000e+00 6.66683993e-01]
 [6.66666667e-01 3.33333333e-01 6.66649341e-01]
 [6.66666667e-01 3.33333333e-01 1.73258642e-05]
 [3.33333333e-01 6.66666667e-01 9.99982674e-01]
 [3.33333333e-01 6.66666667e-01 3.33350659e-01]]
cellpar =  Cell([[2.4585150061226884, 1.99014581840686e-18, -4.227874386975668e-16], [-1.2292575030613442, 2.1291364508875033, -1.7206123074688429e-15], [-2.461875531978039e-15, -1.1611114953269606e-14, 10.038338908278325]])
forces =  [[-3.15441158e-25 -1.48774075e-24  1.28621883e-09]
 [ 3.15442558e-25  1.48773926e-24 -1.28621883e-09]
 [-3.15442558e-25 -1.48773926e-24  1.28621883e-09]
 [ 3.15440619e-25  1.48774001e-24 -1.28621883e-09]
 [-3.15441265e-25 -1.48774038e-24  1.28621883e-09]
 [ 3.15442882e-25  1.48773889e-24 -1.28621883e-09]]
stress =  [ 6.30791654e-12  6.30791654e-12 -1.13056521e-11 -1.73997346e-26
  2.46085050e-26  3.72961104e-28]
energy per atom =  -7.375025941875187
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0