element(s):
['Cr']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0849', '1.6535058']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:54:07       -5.197592         3.205014
BFGS:    1 14:54:07       -5.632446         3.290703
BFGS:    2 14:54:07       -6.111635         3.306702
BFGS:    3 14:54:07       -6.580668         3.208287
BFGS:    4 14:54:07       -7.019139         2.946013
BFGS:    5 14:54:07       -7.399102         2.455308
BFGS:    6 14:54:07       -7.684037         1.657603
BFGS:    7 14:54:07       -7.827446         0.453166
BFGS:    8 14:54:07       -7.834354         0.123943
BFGS:    9 14:54:07       -7.834882         0.033440
BFGS:   10 14:54:07       -7.834900         0.021821
BFGS:   11 14:54:07       -7.834918         0.000502
BFGS:   12 14:54:07       -7.834918         0.000030
BFGS:   13 14:54:07       -7.834918         0.000000
BFGS:   14 14:54:07       -7.834918         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.3733769117287604e-31 eV/Angstrom
Maximum stress component: 1.0408410551426938e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.55903797927323, 8.383419887239883e-17, 6.226934896928489e-36], [-1.279518989636615, 2.216191899299813, 4.269469783283398e-36], [-2.0476609965851968e-36, -3.858008294054605e-35, 4.178308959582132]])
forces =  [[-7.88564460e-33  4.55277903e-33  1.37337691e-31]
 [ 1.31427410e-32 -4.55277903e-33 -1.37337691e-31]]
stress =  [ 3.97101868e-12  3.97101868e-12 -1.04084106e-11  1.91346446e-33
  2.40160700e-34  2.19207485e-28]
energy per atom =  -3.917458758406196
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0