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_BonnyCastinBullens_2013_FeCrW__SM_699257350704_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 17:48:00       -8.201342        0.1332
BFGS:    1 17:48:00       -8.201975        0.0885
BFGS:    2 17:48:00       -8.202471        0.0010
BFGS:    3 17:48:01       -8.202471        0.0000
BFGS:    4 17:48:01       -8.202471        0.0000
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  7.42288124e-27
 -1.01603348e-34 -1.08898399e-50]
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