element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:46:14      -20.434000         2.674101
BFGS:    1 11:46:14      -20.844863         2.220039
BFGS:    2 11:46:14      -21.147506         1.643597
BFGS:    3 11:46:14      -21.362981         1.378245
BFGS:    4 11:46:14      -21.544151         1.102645
BFGS:    5 11:46:14      -21.699366         1.057304
BFGS:    6 11:46:14      -21.831803         1.102651
BFGS:    7 11:46:14      -21.938814         0.988581
BFGS:    8 11:46:14      -22.009853         0.629543
BFGS:    9 11:46:14      -22.027955         0.246189
BFGS:   10 11:46:14      -22.033122         0.072127
BFGS:   11 11:46:14      -22.034098         0.004156
BFGS:   12 11:46:14      -22.034101         0.000241
BFGS:   13 11:46:14      -22.034101         0.000011
BFGS:   14 11:46:14      -22.034101         0.000000
BFGS:   15 11:46:14      -22.034101         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.02523806310836e-11 eV/Angstrom
Maximum stress component: 9.861396042873098e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[9.84330159e-36 3.82367101e-84 0.00000000e+00]
 [2.65520035e-01 2.65520035e-01 2.65520035e-01]
 [7.34479965e-01 7.34479965e-01 2.65520035e-01]
 [7.34479965e-01 2.65520035e-01 7.34479965e-01]
 [2.65520035e-01 7.34479965e-01 7.34479965e-01]]
cellpar =  Cell([[3.7694564256644623, -7.596970961850532e-34, 1.5106568104668565e-33], [1.2916113562555187e-32, 3.7694564256644623, 5.7909441240546665e-18], [-2.566242837255768e-33, 5.790944124054666e-18, 3.7694564256644623]])
forces =  [[ 1.71854766e-66 -3.87804822e-51 -2.52430924e-33]
 [ 6.02523806e-11  6.02523806e-11  6.02523806e-11]
 [-6.02523806e-11 -6.02523806e-11  6.02523806e-11]
 [-6.02523806e-11  6.02523806e-11 -6.02523806e-11]
 [ 6.02523806e-11 -6.02523806e-11 -6.02523806e-11]]
stress =  [ 9.86139604e-11  9.86139604e-11  9.86139604e-11  6.18972170e-28
 -2.02413647e-33 -5.80157899e-51]
energy per atom =  -4.406820262966041
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0