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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 10:53:53       -0.360385        59.534616
BFGS:    1 10:53:53       -4.708308        21.525700
BFGS:    2 10:53:53       -5.235144        20.593675
BFGS:    3 10:53:53       -6.376303         4.305667
BFGS:    4 10:53:53       -6.462033         1.839199
BFGS:    5 10:53:53       -6.484639         0.343407
BFGS:    6 10:53:53       -6.485517         0.040396
BFGS:    7 10:53:54       -6.485529         0.014172
BFGS:    8 10:53:54       -6.485529         0.006627
BFGS:    9 10:53:54       -6.485529         0.000306
BFGS:   10 10:53:54       -6.485529         0.000037
BFGS:   11 10:53:54       -6.485529         0.000001
BFGS:   12 10:53:54       -6.485529         0.000000
BFGS:   13 10:53:54       -6.485529         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1080117174146173e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.51320758757331, -1.578357575108699e-33, -1.5993271880657746e-36], [-5.393818918410742e-34, 2.51320758757331, 9.61342965728817e-19], [1.4624755801265622e-33, 9.690104538336237e-19, 2.5132075875664706]])
forces =  [[0. 0. 0.]]
stress =  [ 1.97935544e-12  1.97935544e-12 -3.10801172e-11  1.15418926e-27
 -9.30556624e-40  3.69077598e-56]
energy per atom =  -6.4855294505965295
===============================================
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.