element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:17      -58.500072        0.6113
BFGS:    1 15:42:17      -58.514855        0.3296
BFGS:    2 15:42:17      -58.517332        0.2965
BFGS:    3 15:42:17      -58.521660        0.2095
BFGS:    4 15:42:17      -58.525766        0.1489
BFGS:    5 15:42:17      -58.527340        0.0590
BFGS:    6 15:42:17      -58.527628        0.0530
BFGS:    7 15:42:17      -58.527755        0.0466
BFGS:    8 15:42:17      -58.527992        0.0363
BFGS:    9 15:42:17      -58.528218        0.0370
BFGS:   10 15:42:17      -58.528330        0.0172
BFGS:   11 15:42:17      -58.528348        0.0030
BFGS:   12 15:42:17      -58.528349        0.0002
BFGS:   13 15:42:17      -58.528349        0.0000
BFGS:   14 15:42:17      -58.528349        0.0000
BFGS:   15 15:42:17      -58.528349        0.0000
BFGS:   16 15:42:17      -58.528349        0.0000
Minimization converged after 16 steps.
Maximum force component: 8.10893130420709e-10 eV/Angstrom
Maximum stress component: 1.3373066750054228e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.12359858e-36 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [0.00000000e+00 5.71391680e-36 9.06250000e-01]
 [1.26321621e-35 4.23908166e-37 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.517381112142057, 3.435481470325933e-19, -6.620882852574407e-38], [-1.2586905560710284, 2.1801159941221444, -1.9371260691573076e-37], [-1.127435140005277e-37, 3.328122899962674e-36, 8.221732284015353]])
forces =  [[ 2.89605100e-31 -4.29952069e-31 -3.18892024e-10]
 [-7.03326671e-31  7.16586782e-32 -3.18892024e-10]
 [-3.30977257e-31  5.73269426e-31  3.18892024e-10]
 [ 4.13721571e-31 -4.29952069e-31  3.18892024e-10]
 [ 9.30873536e-31 -4.65781408e-31 -8.10893130e-10]
 [-6.20582357e-32 -7.16586782e-32 -8.10893130e-10]
 [-7.44698829e-31  3.58293391e-31  8.10893130e-10]
 [ 7.44698829e-31 -7.16586782e-31  8.10893130e-10]]
stress =  [4.77783756e-11 4.77783756e-11 1.33730668e-10 2.93404143e-32
 1.27047721e-32 1.79145712e-27]
energy per atom =  -7.316043623505664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0