element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:45      -58.881837         0.170231
BFGS:    1 16:34:45      -58.883029         0.156570
BFGS:    2 16:34:45      -58.889498         0.002650
BFGS:    3 16:34:45      -58.889500         0.000040
BFGS:    4 16:34:45      -58.889500         0.000000
BFGS:    5 16:34:45      -58.889500         0.000000
Minimization converged after 5 steps.
Maximum force component: 8.609864858207142e-31 eV/Angstrom
Maximum stress component: 3.6858751707846996e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.108913074970437, 1.4999382814581632e-33, -2.1835019384446162e-35], [2.3748456366528836e-33, 4.108913074970437, 2.0457999612445376e-22], [-1.3849234154870545e-33, 2.0457999612457872e-22, 4.108913074970437]])
forces =  [[ 2.70113407e-31 -6.07755166e-31 -5.40226815e-31]
 [-1.78879239e-64 -2.70113407e-31  6.75283518e-32]
 [-4.89580551e-31  6.75283518e-32 -7.93458134e-31]
 [-8.10340222e-31 -3.03877583e-31  8.60986486e-31]
 [-6.75283518e-31 -6.07755166e-31  5.90873079e-32]
 [ 2.70113407e-31 -6.75283518e-31 -7.34370826e-31]
 [-1.35056704e-31 -2.01731451e-53 -4.05170111e-31]
 [-7.34370826e-31 -3.92508545e-31 -5.00535770e-32]]
stress =  [-3.68587517e-15 -3.68587517e-15 -3.68587517e-15  5.32421183e-31
  5.81068214e-65  5.22122875e-64]
energy per atom =  -7.361187457114768
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0