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_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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 10:51:56       -3.283823         3.839293
BFGS:    1 10:51:57       -3.502445         0.592647
BFGS:    2 10:51:57       -3.511487         0.230019
BFGS:    3 10:51:58       -3.513184         0.033208
BFGS:    4 10:51:58       -3.513217         0.012089
BFGS:    5 10:51:59       -3.513219         0.007520
BFGS:    6 10:51:59       -3.513220         0.001207
BFGS:    7 10:51:59       -3.513220         0.000153
BFGS:    8 10:52:00       -3.513220         0.000007
BFGS:    9 10:52:00       -3.513220         0.000000
BFGS:   10 10:52:00       -3.513220         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.466145216024242e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.37258741192405, 7.378829949843352e-35, 1.0384944942593592e-32], [6.15755504612247e-35, 2.37258741192405, 9.970276937597374e-20], [6.291100963175088e-34, 1.0064761461571394e-19, 2.372587411719938]])
forces =  [[0. 0. 0.]]
stress =  [-1.51505415e-10 -1.51505415e-10 -3.46614522e-10 -2.24238045e-26
  1.71066923e-35  1.34774701e-51]
energy per atom =  -3.5132204173280437
===============================================
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.