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_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_001
==== 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 16:41:35       -3.237173         1.761588
BFGS:    1 16:41:35       -3.311011         0.940303
BFGS:    2 16:41:35       -3.347834         0.215723
BFGS:    3 16:41:35       -3.349925         0.027770
BFGS:    4 16:41:35       -3.349965         0.027372
BFGS:    5 16:41:35       -3.349980         0.017501
BFGS:    6 16:41:35       -3.349987         0.003898
BFGS:    7 16:41:35       -3.349987         0.000721
BFGS:    8 16:41:35       -3.349987         0.000047
BFGS:    9 16:41:35       -3.349987         0.000004
BFGS:   10 16:41:35       -3.349987         0.000000
BFGS:   11 16:41:35       -3.349987         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.126090597769807e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3675638155077374, 2.2639997651565898e-34, 2.6041334169868903e-32], [1.9698027084813246e-34, 2.367563815507737, 8.527697873409371e-21], [-6.917418780053705e-34, 8.411727123337245e-21, 2.3675638155645924]])
forces =  [[0. 0. 0.]]
stress =  [-6.12609060e-11 -6.12609060e-11 -2.57609690e-11 -8.33727058e-28
 -1.03721779e-44  1.50644577e-60]
energy per atom =  -3.3499874308964697
===============================================
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.