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:
MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_002
==== 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 20:39:45       -3.100133         2.636015
BFGS:    1 20:39:45       -3.257998         1.082606
BFGS:    2 20:39:45       -3.298622         0.288780
BFGS:    3 20:39:45       -3.302032         0.057157
BFGS:    4 20:39:45       -3.302166         0.033981
BFGS:    5 20:39:45       -3.302187         0.025762
BFGS:    6 20:39:45       -3.302203         0.006297
BFGS:    7 20:39:45       -3.302204         0.001138
BFGS:    8 20:39:45       -3.302204         0.000081
BFGS:    9 20:39:45       -3.302204         0.000006
BFGS:   10 20:39:45       -3.302204         0.000000
BFGS:   11 20:39:45       -3.302204         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.220211320357528e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3948396808104877, -1.2938362035392225e-34, -5.146877233247982e-32], [-1.311385733867698e-35, 2.394839680810489, -7.99295316528284e-21], [1.0131381875182762e-32, -7.857615236646254e-21, 2.3948396808541657]])
forces =  [[0. 0. 0.]]
stress =  [-9.22021132e-11 -9.22021132e-11 -6.56745613e-11  8.00163217e-27
 -5.12286056e-40 -7.36845442e-56]
energy per atom =  -3.302203977368815
===============================================
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.