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 16:17:17      -15.041140         1.005006
BFGS:    1 16:17:17      -15.081884         0.887138
BFGS:    2 16:17:17      -15.183690         0.467071
BFGS:    3 16:17:17      -15.221009         0.027953
BFGS:    4 16:17:17      -15.221131         0.001579
BFGS:    5 16:17:17      -15.221131         0.000222
BFGS:    6 16:17:17      -15.221131         0.000003
BFGS:    7 16:17:17      -15.221131         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.098808501686794e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.09772213e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.7600010592121555, 1.746757691476337e-32, 1.677064022952196e-33], [1.4882427127277325e-32, 3.7600010592121555, -8.12465041618149e-18], [-3.46977427105799e-33, -8.124650416181493e-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 -1.41735240e-26
  1.92988854e-35 -6.36807780e-52]
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