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_EAM_BonnyPasianotTerentyev_2011_FeCr__SM_237089298463_001
==== 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 16:53:10       -8.201342         0.133215
BFGS:    1 16:53:11       -8.201975         0.088526
BFGS:    2 16:53:11       -8.202471         0.000989
BFGS:    3 16:53:11       -8.202471         0.000007
BFGS:    4 16:53:12       -8.202471         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3046302027991506e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8660072270140446, 5.3549659584170956e-33, -1.3200141060674883e-33], [1.1468781206103282e-32, 2.8660072270140446, 1.2115358167318052e-18], [-4.778039968401221e-33, 1.2115358167318093e-18, 2.8660072270140446]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.30463020e-11  5.30463020e-11  5.30463020e-11  7.42288128e-27
 -7.03407797e-35 -7.53911995e-51]
energy per atom =  -4.100800380708906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0