element(s):
['Cr']
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:
['2.8741']
model name:
Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:47:45       -7.672303        0.0648
BFGS:    1 17:47:45       -7.672452        0.0420
BFGS:    2 17:47:45       -7.672569        0.0030
BFGS:    3 17:47:45       -7.672570        0.0002
BFGS:    4 17:47:45       -7.672570        0.0000
BFGS:    5 17:47:45       -7.672570        0.0000
BFGS:    6 17:47:45       -7.672570        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.101693070636848e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8780515553021107, -6.781277970031016e-33, 5.255892757675456e-34], [-4.639828514883949e-33, 2.8780515553021107, 2.044791138586381e-20], [-1.1511689131983747e-33, 2.0447911385865596e-20, 2.8780515553021107]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [6.10169307e-14 6.10169307e-14 6.10169307e-14 1.02741788e-30
 1.86008733e-34 4.82365311e-51]
energy per atom =  -3.796731468139883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0