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_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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 17:47:47       -7.672301        0.0643
BFGS:    1 17:47:47       -7.672448        0.0428
BFGS:    2 17:47:47       -7.672566        0.0003
BFGS:    3 17:47:47       -7.672566        0.0000
BFGS:    4 17:47:47       -7.672566        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.301399388746338e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.878068350979945, 1.3366203916369724e-34, -6.980128752837327e-34], [1.114637857884271e-34, 2.878068350979945, 2.1436911352307236e-23], [-1.4182177096618506e-33, 2.143691135355648e-23, 2.878068350979945]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.30139939e-12 -4.30139939e-12 -4.30139939e-12  2.07242957e-27
 -1.24004375e-33  1.51730034e-49]
energy per atom =  -3.8362830486251145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0