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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_004
==== 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 16:51:41      -15.646232        0.3979
BFGS:    1 16:51:41      -15.652524        0.3398
BFGS:    2 16:51:41      -15.668699        0.0221
BFGS:    3 16:51:41      -15.668763        0.0011
BFGS:    4 16:51:41      -15.668763        0.0000
BFGS:    5 16:51:41      -15.668763        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.4354430732773034e-11 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 2.66086324e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6189946156114723, -1.886286943301049e-32, -1.5212363841828935e-33], [-1.7783559120335568e-32, 3.6189946156114723, 1.0626100204946906e-18], [-1.2157381235720784e-34, 1.0626100204946906e-18, 3.6189946156114723]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.43544307e-11 -4.43544307e-11 -4.43544307e-11 -1.68124922e-27
 -1.96066478e-35 -4.16398057e-52]
energy per atom =  -3.9171908243556124
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0