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 14:49:06      -58.500072         0.611338
BFGS:    1 14:49:06      -58.514855         0.329617
BFGS:    2 14:49:06      -58.517332         0.296534
BFGS:    3 14:49:06      -58.521660         0.209479
BFGS:    4 14:49:06      -58.525766         0.148944
BFGS:    5 14:49:06      -58.527340         0.058997
BFGS:    6 14:49:06      -58.527628         0.053037
BFGS:    7 14:49:06      -58.527755         0.046577
BFGS:    8 14:49:06      -58.527992         0.036272
BFGS:    9 14:49:06      -58.528218         0.037043
BFGS:   10 14:49:06      -58.528330         0.017226
BFGS:   11 14:49:06      -58.528348         0.002973
BFGS:   12 14:49:06      -58.528349         0.000228
BFGS:   13 14:49:06      -58.528349         0.000015
BFGS:   14 14:49:06      -58.528349         0.000001
BFGS:   15 14:49:06      -58.528349         0.000000
BFGS:   16 14:49:06      -58.528349         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.109015681156963e-10 eV/Angstrom
Maximum stress component: 1.3373074623562234e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.03996888e-35 8.91809959e-36 9.37500000e-02]
 [1.12796336e-35 1.25386501e-36 5.93750000e-01]
 [0.00000000e+00 6.90442649e-36 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 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, -4.405328545384818e-20, -3.841461965179283e-37], [-1.2586905560710284, 2.180115994122145, -7.707285728017102e-37], [-2.4992455721169874e-36, -6.786412949976938e-36, 8.221732284015353]])
forces =  [[ 1.21013560e-30 -8.41989469e-31 -3.18877813e-10]
 [-1.65488629e-31 -8.59904138e-31 -3.18877813e-10]
 [ 7.44698829e-31  8.59904138e-31  3.18877813e-10]
 [ 8.27443143e-31 -8.59904138e-31  3.18877813e-10]
 [ 8.27443143e-31 -1.43317356e-30 -8.10901568e-10]
 [-8.27443143e-32  6.69338847e-46 -8.10901568e-10]
 [-2.48232943e-31 -6.69333055e-46  8.10901568e-10]
 [ 4.96465886e-31 -6.69346087e-46  8.10901568e-10]]
stress =  [ 4.77793598e-11  4.77793598e-11  1.33730746e-10 -3.66755179e-32
  5.06326115e-45  2.33905734e-26]
energy per atom =  -7.316043623505662
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0