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_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_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 16:51:40      -15.041140        1.0050
BFGS:    1 16:51:40      -15.081884        0.8871
BFGS:    2 16:51:40      -15.183690        0.4671
BFGS:    3 16:51:40      -15.221009        0.0280
BFGS:    4 16:51:40      -15.221131        0.0016
BFGS:    5 16:51:40      -15.221131        0.0002
BFGS:    6 16:51:40      -15.221131        0.0000
BFGS:    7 16:51:40      -15.221131        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.09880850168679e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.63950837e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.04886107e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7600010592121555, 1.80384857021449e-32, 1.676044515491044e-33], [1.5223906918358858e-32, 3.7600010592121555, -8.12463668976993e-18], [-3.419974928928328e-33, -8.124636689769933e-18, 3.7600010592121555]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.09880850e-10  5.09880850e-10  5.09880850e-10  2.40210255e-27
  4.11640502e-58 -1.11499833e-57]
energy per atom =  -3.76572947462931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0