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_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== 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 16:52:46      -15.041127        1.0044
BFGS:    1 16:52:46      -15.081850        0.8873
BFGS:    2 16:52:46      -15.183671        0.4671
BFGS:    3 16:52:46      -15.221000        0.0274
BFGS:    4 16:52:46      -15.221125        0.0006
BFGS:    5 16:52:46      -15.221125        0.0000
BFGS:    6 16:52:46      -15.221125        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0816963855344107e-12 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([[3.7600034989007565, -3.055315830258597e-34, -4.6280744567956756e-33], [5.850879864686251e-33, 3.7600034989007565, -8.294071696307655e-18], [-1.0322877536901207e-32, -8.294071696307652e-18, 3.7600034989007565]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.08169639e-12 -2.08169639e-12 -2.08169639e-12 -2.53469510e-28
 -5.81236264e-34  4.37033438e-50]
energy per atom =  -3.805281356984871
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0