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_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_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 16:42:07       -3.283823         3.839293
BFGS:    1 16:42:07       -3.502445         0.592647
BFGS:    2 16:42:07       -3.511487         0.230019
BFGS:    3 16:42:07       -3.513184         0.033208
BFGS:    4 16:42:07       -3.513217         0.012089
BFGS:    5 16:42:07       -3.513219         0.007520
BFGS:    6 16:42:07       -3.513220         0.001207
BFGS:    7 16:42:07       -3.513220         0.000153
BFGS:    8 16:42:07       -3.513220         0.000007
BFGS:    9 16:42:07       -3.513220         0.000000
BFGS:   10 16:42:07       -3.513220         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.466120645036429e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.3725874119240524, -7.918337323894181e-35, -3.247918516448404e-34], [2.606589167227787e-35, 2.372587411924051, 9.433383174980232e-20], [-1.3077157182097565e-33, 9.461784552166828e-20, 2.372587411719942]])
forces =  [[0. 0. 0.]]
stress =  [-1.51505140e-10 -1.51505140e-10 -3.46612065e-10  2.03449964e-26
  2.94021286e-36 -1.20089404e-52]
energy per atom =  -3.513220417328047
===============================================
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.