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_KimLee_2006_PtFe__MO_343168101490_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 16:42:06       -3.105396         2.632117
BFGS:    1 16:42:06       -3.262703         1.080480
BFGS:    2 16:42:06       -3.303117         0.287856
BFGS:    3 16:42:06       -3.306500         0.056878
BFGS:    4 16:42:06       -3.306632         0.033951
BFGS:    5 16:42:06       -3.306653         0.025673
BFGS:    6 16:42:06       -3.306669         0.006239
BFGS:    7 16:42:06       -3.306670         0.001127
BFGS:    8 16:42:06       -3.306670         0.000080
BFGS:    9 16:42:06       -3.306670         0.000006
BFGS:   10 16:42:06       -3.306670         0.000000
BFGS:   11 16:42:06       -3.306670         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.987929161575913e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3944529194889657, 6.229032190134294e-35, -2.569694189708428e-33], [-9.540656059593007e-35, 2.3944529194889657, 1.8224386092680813e-19], [1.2918588468175076e-33, 1.8194679771980187e-19, 2.394452919532248]])
forces =  [[0. 0. 0.]]
stress =  [-8.98792916e-11 -8.98792916e-11 -6.35092166e-11 -6.75350136e-27
  1.42272226e-44 -3.24954560e-61]
energy per atom =  -3.306670010479989
===============================================
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.