element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:53       -2.681673         2.313774
BFGS:    1 16:43:53       -2.864217         2.217645
BFGS:    2 16:43:53       -3.021269         0.424106
BFGS:    3 16:43:53       -3.028830         0.163156
BFGS:    4 16:43:53       -3.030150         0.019503
BFGS:    5 16:43:53       -3.030165         0.019486
BFGS:    6 16:43:53       -3.030170         0.015163
BFGS:    7 16:43:53       -3.030175         0.004437
BFGS:    8 16:43:53       -3.030175         0.000858
BFGS:    9 16:43:53       -3.030175         0.000091
BFGS:   10 16:43:53       -3.030175         0.000009
BFGS:   11 16:43:53       -3.030175         0.000000
BFGS:   12 16:43:53       -3.030175         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.925817512176098e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4528512866910943, 3.373398860080383e-35, -2.5137133629466095e-33], [-5.561058609981248e-35, 2.4528512866910943, -3.100142423861922e-18], [-1.2406615199053303e-32, -3.137769452363664e-18, 2.4528512867540657]])
forces =  [[0. 0. 0.]]
stress =  [-1.92581751e-10 -1.92581751e-10 -1.49723703e-10  3.97172756e-26
 -2.16777642e-43  9.27366385e-59]
energy per atom =  -3.03017544054323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.