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_BonnyCastinBullens_2013_FeCrW__SM_699257350704_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 17:29:43       -3.399828        0.9475
BFGS:    1 17:29:43       -3.413021        0.5829
BFGS:    2 17:29:43       -3.416783        0.2597
BFGS:    3 17:29:44       -3.417486        0.0458
BFGS:    4 17:29:44       -3.417508        0.0068
BFGS:    5 17:29:44       -3.417509        0.0020
BFGS:    6 17:29:44       -3.417509        0.0003
BFGS:    7 17:29:44       -3.417509        0.0000
BFGS:    8 17:29:45       -3.417509        0.0000
BFGS:    9 17:29:45       -3.417509        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.20584569365036e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2421368894320475, -1.7469754589944133e-34, -8.383430215542506e-38], [1.4481688152634119e-34, 2.2421368894320484, -5.1355545669957925e-22], [2.5764951739106316e-34, -5.135353399030641e-22, 2.2421368897848133]])
forces =  [[0. 0. 0.]]
stress =  [-6.20584569e-10 -6.20584569e-10  3.20507014e-11  2.03391615e-27
  7.49959395e-44  2.39905293e-59]
energy per atom =  -3.417509181945512
===============================================
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.