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_1959MedCutoff_Cr__MO_245813471114_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      -15.504237        0.3557
BFGS:    1 16:51:41      -15.509259        0.3031
BFGS:    2 16:51:41      -15.522046        0.0174
BFGS:    3 16:51:41      -15.522086        0.0008
BFGS:    4 16:51:41      -15.522086        0.0000
BFGS:    5 16:51:41      -15.522086        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6988680697681324e-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 3.32260874e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.32260874e-36]]
cellpar =  Cell([[3.6227744759254215, -9.32082565185108e-34, -8.823447296940415e-33], [2.8354868264168483e-33, 3.6227744759254215, 1.5237634074615415e-19], [-1.8496663789090467e-32, 1.5237634074616288e-19, 3.6227744759254215]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.69886807e-11 -1.69886807e-11 -1.69886807e-11  1.53606912e-26
 -1.95657556e-35  8.82504949e-51]
energy per atom =  -3.880521474076512
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0