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_EtesamiAsadi_2018_Fe__SM_267016608755_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 09:51:36       -2.992226         2.093666
BFGS:    1 09:51:36       -3.101397         1.092117
BFGS:    2 09:51:36       -3.150120         0.246149
BFGS:    3 09:51:36       -3.152925         0.051523
BFGS:    4 09:51:36       -3.153051         0.040307
BFGS:    5 09:51:36       -3.153082         0.031234
BFGS:    6 09:51:36       -3.153108         0.008475
BFGS:    7 09:51:36       -3.153110         0.001675
BFGS:    8 09:51:36       -3.153110         0.000138
BFGS:    9 09:51:36       -3.153110         0.000011
BFGS:   10 09:51:36       -3.153110         0.000000
BFGS:   11 09:51:36       -3.153110         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2028968159672084e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.391525450738964, 8.1347779095656e-35, -1.029444964224311e-32], [-6.096333123829159e-35, 2.391525450738963, -4.237763902562795e-19], [-1.933345848564861e-33, -4.1399698725850224e-19, 2.3915254508590293]])
forces =  [[0. 0. 0.]]
stress =  [-2.20289682e-10 -2.20289682e-10 -1.57262418e-10 -7.47342873e-26
 -4.99721738e-44 -7.02587113e-60]
energy per atom =  -3.153110204802988
===============================================
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.