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 17:29:28       -3.237173        1.7616
BFGS:    1 17:29:28       -3.311011        0.9403
BFGS:    2 17:29:28       -3.347834        0.2157
BFGS:    3 17:29:28       -3.349925        0.0278
BFGS:    4 17:29:28       -3.349965        0.0274
BFGS:    5 17:29:28       -3.349980        0.0175
BFGS:    6 17:29:28       -3.349987        0.0039
BFGS:    7 17:29:28       -3.349987        0.0007
BFGS:    8 17:29:28       -3.349987        0.0000
BFGS:    9 17:29:28       -3.349987        0.0000
BFGS:   10 17:29:28       -3.349987        0.0000
BFGS:   11 17:29:28       -3.349987        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.126118623047367e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.367563815507737, 2.1615281206545244e-34, 1.0456308491939389e-35], [1.8323400035739489e-34, 2.367563815507737, 1.692766261906208e-20], [-5.572540679253907e-33, 1.6809375502340023e-20, 2.3675638155645924]])
forces =  [[0. 0. 0.]]
stress =  [-6.12611862e-11 -6.12611862e-11 -2.57610192e-11 -3.12206335e-27
 -8.35568290e-44 -1.70882280e-59]
energy per atom =  -3.349987430896469
===============================================
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.