element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:43      -58.520736         0.179113
BFGS:    1 16:26:43      -58.522050         0.163092
BFGS:    2 16:26:43      -58.528347         0.002750
BFGS:    3 16:26:43      -58.528349         0.000041
BFGS:    4 16:26:43      -58.528349         0.000000
BFGS:    5 16:26:43      -58.528349         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.4042175777023618e-30 eV/Angstrom
Maximum stress component: 1.1337851537786501e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[7.70371978e-34 1.47654629e-33 1.10391427e-33]
 [1.34815096e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.99555823e-34]
 [5.00000000e-01 1.21972767e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5601145104508585, 2.8851884599417594e-34, 1.0614791297284425e-34], [4.688461655472499e-34, 3.5601145104508585, -2.978759970248744e-20], [2.56337456060163e-34, -2.978759970248704e-20, 3.5601145104508585]])
forces =  [[-3.80308927e-31  3.36427128e-31 -4.24190727e-31]
 [ 6.14345190e-31  1.46272664e-31 -2.04781730e-31]
 [-3.51054394e-31  7.60617855e-31 -4.97327059e-31]
 [ 1.17018131e-31 -5.85090657e-31  6.72854256e-31]
 [ 1.05316318e-30  1.40421758e-30 -6.72854256e-31]
 [-4.97327059e-31 -7.60617855e-31  4.68072526e-31]
 [ 1.11532907e-31 -6.46572775e-31 -2.99858962e-31]
 [-9.36145052e-31 -2.04781730e-31 -2.34036263e-31]]
stress =  [-1.13378515e-14 -1.13378515e-14 -1.13378515e-14 -2.51037275e-30
  2.59335074e-33  2.83698443e-49]
energy per atom =  -7.316043623505661
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0