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_SaLee_2008_NbFe__MO_162036141261_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 10:56:30       -3.105396         2.632115
BFGS:    1 10:56:30       -3.257837         1.084606
BFGS:    2 10:56:30       -3.298661         0.287160
BFGS:    3 10:56:30       -3.302033         0.056977
BFGS:    4 10:56:30       -3.302166         0.033946
BFGS:    5 10:56:30       -3.302187         0.025726
BFGS:    6 10:56:31       -3.302203         0.006271
BFGS:    7 10:56:31       -3.302204         0.001134
BFGS:    8 10:56:31       -3.302204         0.000080
BFGS:    9 10:56:31       -3.302204         0.000006
BFGS:   10 10:56:31       -3.302204         0.000000
BFGS:   11 10:56:31       -3.302204         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.099273310068411e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.394839695972709, -3.145653548319513e-34, 2.0587324011302111e-32], [-2.1805219721838157e-34, 2.3948396959727094, -7.62055100801563e-20], [-1.2167761044260686e-33, -7.719568015567464e-20, 2.394839696016027]])
forces =  [[0. 0. 0.]]
stress =  [-9.09927331e-11 -9.09927331e-11 -6.46834279e-11  1.06427358e-26
 -1.63967581e-38  2.18496312e-54]
energy per atom =  -3.302203977380065
===============================================
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.