element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
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 =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:45      -15.746998         0.182217
BFGS:    1 15:16:45      -15.748341         0.161943
BFGS:    2 15:16:46      -15.753447         0.002465
BFGS:    3 15:16:46      -15.753448         0.000033
BFGS:    4 15:16:47      -15.753448         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.443703165973202e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.674462110368986, -1.5642313693441503e-32, 2.789307459687256e-35], [-1.8952444601602893e-32, 3.674462110368986, 1.478860224227111e-19], [-1.9978847587369883e-32, 1.4788602242272556e-19, 3.674462110368986]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.44370317e-10 -5.44370317e-10 -5.44370317e-10 -8.72076514e-26
  1.18869844e-36  3.08642283e-52]
energy per atom =  -3.937926609769942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0