element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
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:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:48:37      -56.005894         0.975944
BFGS:    1 09:48:37      -56.019410         0.912711
BFGS:    2 09:48:37      -56.059586         0.649630
BFGS:    3 09:48:37      -56.088410         0.422339
BFGS:    4 09:48:37      -56.105536         0.188845
BFGS:    5 09:48:37      -56.111925         0.123840
BFGS:    6 09:48:37      -56.112405         0.112725
BFGS:    7 09:48:37      -56.114234         0.068062
BFGS:    8 09:48:37      -56.114993         0.041511
BFGS:    9 09:48:37      -56.115180         0.008415
BFGS:   10 09:48:37      -56.115189         0.000758
BFGS:   11 09:48:37      -56.115189         0.000044
BFGS:   12 09:48:37      -56.115189         0.000004
BFGS:   13 09:48:37      -56.115189         0.000001
BFGS:   14 09:48:37      -56.115189         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.1235381375263036e-09 eV/Angstrom
Maximum stress component: 1.284558169019216e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.18910002e-01 8.18910002e-01 7.46756017e-35]
 [1.81089998e-01 1.81089998e-01 4.66722510e-36]
 [1.81089998e-01 8.18910002e-01 7.46756017e-35]
 [8.18910002e-01 1.81089998e-01 4.66722510e-36]
 [3.18910002e-01 3.18910002e-01 5.00000000e-01]
 [6.81089998e-01 6.81089998e-01 5.00000000e-01]
 [6.81089998e-01 3.18910002e-01 5.00000000e-01]
 [3.18910002e-01 6.81089998e-01 5.00000000e-01]]
cellpar =  Cell([[4.3493946305800835, 2.8353905728348926e-36, 4.780190888059447e-33], [1.0608940812228431e-36, 4.349394630580084, -3.398527083514844e-19], [8.589817113256092e-33, -1.9351502801922064e-19, 2.5790618376401606]])
forces =  [[-1.12353814e-09 -1.12353814e-09  8.80452634e-29]
 [ 1.12353814e-09  1.12353814e-09 -8.74094756e-29]
 [ 1.12353814e-09 -1.12353814e-09  8.74094756e-29]
 [-1.12353814e-09  1.12353814e-09 -8.81724210e-29]
 [-1.12353814e-09 -1.12353814e-09  8.74094756e-29]
 [ 1.12353814e-09  1.12353814e-09 -8.80452634e-29]
 [ 1.12353814e-09 -1.12353814e-09  8.80452634e-29]
 [-1.12353814e-09  1.12353814e-09 -8.74094756e-29]]
stress =  [ 8.16340684e-11  8.16340684e-11  1.28455817e-10 -1.98760882e-26
 -5.49414219e-34  9.71667783e-50]
energy per atom =  -7.0143986314034015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0