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 14:52:13       -5.197592        3.2050
BFGS:    1 14:52:13       -5.632446        3.2907
BFGS:    2 14:52:13       -6.111635        3.3067
BFGS:    3 14:52:13       -6.580668        3.2083
BFGS:    4 14:52:13       -7.019139        2.9460
BFGS:    5 14:52:13       -7.399102        2.4553
BFGS:    6 14:52:13       -7.684037        1.6576
BFGS:    7 14:52:13       -7.827446        0.4532
BFGS:    8 14:52:13       -7.834354        0.1239
BFGS:    9 14:52:13       -7.834882        0.0334
BFGS:   10 14:52:13       -7.834900        0.0218
BFGS:   11 14:52:13       -7.834918        0.0005
BFGS:   12 14:52:13       -7.834918        0.0000
BFGS:   13 14:52:13       -7.834918        0.0000
BFGS:   14 14:52:13       -7.834918        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.8211116123178364e-32 eV/Angstrom
Maximum stress component: 1.0408457403151903e-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, 7.71625550849132e-17, 3.918720665306237e-36], [-1.279518989636615, 2.2161918992998118, 2.9024530567427404e-36], [8.688011552110663e-36, -7.516921605213415e-36, 4.178308959582133]])
forces =  [[ 7.88564460e-33  4.55277903e-33  8.58360570e-33]
 [-1.57712892e-32  1.82111161e-32 -8.58360570e-33]]
stress =  [ 3.96961781e-12  3.96961781e-12 -1.04084574e-11  5.95626785e-46
  2.03632107e-46  4.91175348e-28]
energy per atom =  -3.9174587584061924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0