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 18:21:54      -58.881837        0.1702
BFGS:    1 18:21:54      -58.883029        0.1566
BFGS:    2 18:21:54      -58.889498        0.0027
BFGS:    3 18:21:54      -58.889500        0.0000
BFGS:    4 18:21:54      -58.889500        0.0000
BFGS:    5 18:21:54      -58.889500        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.6206804438978155e-30 eV/Angstrom
Maximum stress component: 2.1894674012888545e-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([[4.108913074970438, 3.125126640964189e-35, -5.3712045947482324e-36], [-3.124795866915962e-35, 4.108913074970438, 2.8921082337020274e-27], [9.249119776506171e-36, 2.892108233699685e-27, 4.108913074970438]])
forces =  [[ 6.75283518e-32 -6.75283518e-32 -4.75306484e-59]
 [ 1.35056704e-31 -5.40226815e-31 -8.77868574e-31]
 [-8.10340222e-31 -9.23624444e-31 -2.70113407e-31]
 [ 7.49142653e-32 -7.93458134e-31  5.06462639e-31]
 [-4.64257419e-31  2.70113407e-31  4.72698463e-31]
 [ 2.11026099e-32  2.37653243e-59  3.37641759e-32]
 [ 9.45396926e-31 -6.07755166e-31  1.62068044e-30]
 [ 1.35056704e-31  1.60379836e-30 -1.77261924e-31]]
stress =  [-2.18946740e-15 -2.18946740e-15 -2.18946740e-15  4.91398189e-33
  4.86715630e-34 -5.42088105e-50]
energy per atom =  -7.36118745711477
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0