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_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 10:56:27       -3.105396         2.632117
BFGS:    1 10:56:27       -3.262703         1.080480
BFGS:    2 10:56:27       -3.303117         0.287856
BFGS:    3 10:56:27       -3.306500         0.056878
BFGS:    4 10:56:27       -3.306632         0.033951
BFGS:    5 10:56:27       -3.306653         0.025673
BFGS:    6 10:56:28       -3.306669         0.006239
BFGS:    7 10:56:28       -3.306670         0.001127
BFGS:    8 10:56:28       -3.306670         0.000080
BFGS:    9 10:56:28       -3.306670         0.000006
BFGS:   10 10:56:28       -3.306670         0.000000
BFGS:   11 10:56:28       -3.306670         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.98795174535697e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3944529194889657, 6.355327433228602e-35, 1.9942125652905482e-32], [-1.071750642075285e-34, 2.394452919488965, -2.5301990077730677e-19], [1.2872731384076538e-32, -2.534541689669638e-19, 2.3944529195322475]])
forces =  [[0. 0. 0.]]
stress =  [-8.98795175e-11 -8.98795175e-11 -6.35095366e-11 -1.73083837e-26
  9.84122683e-37  3.03117764e-52]
energy per atom =  -3.3066700104799893
===============================================
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.