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 17:45:26       -2.992226         2.093666
BFGS:    1 17:45:26       -3.101397         1.092117
BFGS:    2 17:45:26       -3.150120         0.246149
BFGS:    3 17:45:26       -3.152925         0.051523
BFGS:    4 17:45:26       -3.153051         0.040307
BFGS:    5 17:45:26       -3.153082         0.031234
BFGS:    6 17:45:26       -3.153108         0.008475
BFGS:    7 17:45:26       -3.153110         0.001675
BFGS:    8 17:45:26       -3.153110         0.000138
BFGS:    9 17:45:26       -3.153110         0.000011
BFGS:   10 17:45:26       -3.153110         0.000000
BFGS:   11 17:45:26       -3.153110         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.202896897135267e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3915254507389636, 1.0209053517809313e-34, 1.0296851141144655e-32], [2.874559819461387e-35, 2.391525450738963, 1.4495325938966686e-20], [-1.6112167478537202e-34, 2.2264401031922682e-20, 2.391525450859031]])
forces =  [[0. 0. 0.]]
stress =  [-2.20289690e-10 -2.20289690e-10 -1.57261517e-10 -1.27684206e-25
 -4.24632938e-45 -1.85156423e-60]
energy per atom =  -3.1531102048029886
===============================================
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.