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 15:39:56      -58.520736         0.179113
BFGS:    1 15:39:56      -58.522050         0.163092
BFGS:    2 15:39:57      -58.528347         0.002750
BFGS:    3 15:39:57      -58.528349         0.000041
BFGS:    4 15:39:57      -58.528349         0.000000
BFGS:    5 15:39:57      -58.528349         0.000000
Minimization converged after 5 steps.
Maximum force component: 4.168770933803887e-31 eV/Angstrom
Maximum stress component: 9.238249401159365e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.59682974e-34 0.00000000e+00 3.18801589e-34]
 [1.16953220e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.13595956e-34]
 [5.00000000e-01 3.55014290e-34 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([[3.560114510450859, -5.770402657485394e-34, 1.1702950641547808e-34], [-5.409713370281297e-34, 3.560114510450859, -2.9787699184836583e-20], [1.2121979660681778e-34, -2.978769918483669e-20, 3.560114510450859]])
forces =  [[-2.92545329e-32 -2.15752180e-31 -4.75386159e-32]
 [ 4.16877093e-31 -6.75694189e-65  1.37037504e-65]
 [ 1.02390865e-31 -2.92545329e-32  2.92545329e-32]
 [-1.31645398e-31 -1.17018131e-31  1.68213564e-31]
 [-2.77918062e-31 -8.77635986e-32 -1.75527197e-31]
 [-1.75527197e-31  2.92545329e-31 -8.77635986e-32]
 [-1.75527197e-31  7.99953203e-32  8.77635986e-32]
 [ 2.92545329e-32 -5.85090657e-32 -2.04781730e-31]]
stress =  [-9.23824940e-15 -9.23824940e-15 -9.23824940e-15 -6.47770690e-31
 -4.86253264e-34 -2.28585023e-50]
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