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 16:47:50      -44.154023         0.229899
BFGS:    1 16:47:50      -44.155497         0.194809
BFGS:    2 16:47:50      -44.159498         0.073708
BFGS:    3 16:47:50      -44.159583         0.073756
BFGS:    4 16:47:50      -44.162565         0.083053
BFGS:    5 16:47:50      -44.165031         0.137819
BFGS:    6 16:47:50      -44.167604         0.175634
BFGS:    7 16:47:50      -44.170342         0.204235
BFGS:    8 16:47:50      -44.173243         0.228075
BFGS:    9 16:47:50      -44.176621         0.243826
BFGS:   10 16:47:50      -44.180523         0.252070
BFGS:   11 16:47:50      -44.184848         0.255136
BFGS:   12 16:47:50      -44.189470         0.255078
BFGS:   13 16:47:50      -44.194285         0.253320
BFGS:   14 16:47:50      -44.199205         0.250810
BFGS:   15 16:47:50      -44.204152         0.248208
BFGS:   16 16:47:50      -44.209050         0.246038
BFGS:   17 16:47:50      -44.213881         0.243871
BFGS:   18 16:47:50      -44.218634         0.241084
BFGS:   19 16:47:50      -44.223287         0.237098
BFGS:   20 16:47:50      -44.227806         0.231313
BFGS:   21 16:47:50      -44.232150         0.223032
BFGS:   22 16:47:50      -44.236265         0.211353
BFGS:   23 16:47:50      -44.240088         0.195023
BFGS:   24 16:47:50      -44.243555         0.172108
BFGS:   25 16:47:50      -44.246563         0.139247
BFGS:   26 16:47:50      -44.248907         0.089053
BFGS:   27 16:47:50      -44.249900         0.031153
BFGS:   28 16:47:50      -44.250107         0.008639
BFGS:   29 16:47:50      -44.250155         0.000817
BFGS:   30 16:47:50      -44.250156         0.000195
BFGS:   31 16:47:50      -44.250156         0.000014
BFGS:   32 16:47:50      -44.250156         0.000003
BFGS:   33 16:47:51      -44.250156         0.000000
BFGS:   34 16:47:51      -44.250156         0.000000
BFGS:   35 16:47:51      -44.250156         0.000000
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