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_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== 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 17:29:30       -3.294636        1.0124
BFGS:    1 17:29:30       -3.308422        0.6575
BFGS:    2 17:29:30       -3.311007        0.5850
BFGS:    3 17:29:31       -3.313710        0.1029
BFGS:    4 17:29:31       -3.313810        0.0126
BFGS:    5 17:29:31       -3.313812        0.0016
BFGS:    6 17:29:31       -3.313812        0.0004
BFGS:    7 17:29:31       -3.313812        0.0000
BFGS:    8 17:29:31       -3.313812        0.0000
BFGS:    9 17:29:31       -3.313812        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3295650500656183e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2374764927432618, -1.0508616600041462e-36, 1.1014950662486613e-32], [2.8691159336379425e-36, 2.2374764927432618, 7.964702771923806e-19], [5.447040932455212e-33, 7.980489467880085e-19, 2.2374764926968695]])
forces =  [[0. 0. 0.]]
stress =  [-4.08381818e-11 -4.08381818e-11 -1.32956505e-10 -1.16279766e-25
 -2.24258122e-43  8.39826642e-59]
energy per atom =  -3.313811763860491
===============================================
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.