element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:33       -8.088754         1.282851
BFGS:    1 16:09:33       -8.152952         1.042910
BFGS:    2 16:09:33       -8.243938         0.113793
BFGS:    3 16:09:33       -8.244856         0.013894
BFGS:    4 16:09:34       -8.244870         0.000027
BFGS:    5 16:09:34       -8.244870         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.345661962827609e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.855324619475834, 1.4517449969995154e-33, -3.3262784642112185e-33], [1.1846480422075807e-32, 2.855324619475834, -1.2728127804994678e-18], [-1.5579306764373745e-32, -1.2728127804995033e-18, 2.855324619475834]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.34566196e-10  5.34566196e-10  5.34566196e-10 -1.72210331e-25
  1.25987725e-33 -3.47747456e-49]
energy per atom =  -4.1224351007356415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0