element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
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.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:12      -44.003636         1.423209
BFGS:    1 15:02:12      -44.056160         1.161218
BFGS:    2 15:02:12      -44.141244         0.547591
BFGS:    3 15:02:12      -44.167011         0.035362
BFGS:    4 15:02:12      -44.167124         0.001986
BFGS:    5 15:02:12      -44.167125         0.001069
BFGS:    6 15:02:12      -44.167125         0.000260
BFGS:    7 15:02:12      -44.167125         0.000051
BFGS:    8 15:02:12      -44.167125         0.000004
BFGS:    9 15:02:12      -44.167125         0.000000
BFGS:   10 15:02:12      -44.167125         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.556685423333076e-09 eV/Angstrom
Maximum stress component: 1.8206429679665495e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 9.15750648e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.5161851077064656, 7.936358725075545e-18, -1.5040989018602177e-23], [-1.2580925538532328, 2.1790802238978837, -1.5007263952644508e-18], [-7.60389297204559e-23, 4.440889903118332e-16, 12.451199852250003]])
forces =  [[-4.07677200e-31  1.26854218e-25  3.55668542e-09]
 [ 2.17205214e-32 -1.26854027e-25 -3.55668542e-09]
 [-2.17205214e-32  1.26854027e-25  3.55668542e-09]
 [ 4.07677200e-31 -1.26854218e-25 -3.55668542e-09]
 [-2.97403863e-31  1.26854218e-25  3.55668542e-09]
 [ 2.97403863e-31 -1.26854218e-25 -3.55668542e-09]]
stress =  [-1.82064297e-10 -1.82064297e-10  3.56419007e-20  6.49357101e-27
 -1.09423351e-33 -3.40737078e-26]
energy per atom =  -7.36118745711475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0