element(s):
['Cr', 'O']
AFLOW prototype label:
AB2_cP12_205_a_c
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.83', '0.36106307']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.36106307 0.36106307 0.36106307]]
spacegroup =  205
cell =  [[4.83, 0, 0], [0, 4.83, 0], [0, 0, 4.83]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:56:28     -113.032837         2.316317
BFGS:    1 11:56:28     -113.916186         2.902192
BFGS:    2 11:56:28     -115.511315         3.797949
BFGS:    3 11:56:28     -117.498469         4.762240
BFGS:    4 11:56:28     -119.960112         5.872616
BFGS:    5 11:56:28     -123.002619         7.226850
BFGS:    6 11:56:28     -126.760231         8.921005
BFGS:    7 11:56:28     -131.381010        10.966323
BFGS:    8 11:56:29     -136.958917        12.972647
BFGS:    9 11:56:29     -143.152121        12.919338
BFGS:   10 11:56:29     -148.121683         8.918939
BFGS:   11 11:56:29     -149.574566         8.132930
BFGS:   12 11:56:29     -150.727660         7.431746
BFGS:   13 11:56:29     -151.766019         6.665765
BFGS:   14 11:56:29     -152.686774         5.811293
BFGS:   15 11:56:29     -153.479811         4.909990
BFGS:   16 11:56:29     -154.128439         3.863068
BFGS:   17 11:56:29     -154.617822         2.724946
BFGS:   18 11:56:29     -154.927632         1.453248
BFGS:   19 11:56:30     -155.040051         0.037976
BFGS:   20 11:56:30     -155.040136         0.036041
BFGS:   21 11:56:30     -155.040144         0.009700
BFGS:   22 11:56:30     -155.040145         0.000353
BFGS:   23 11:56:30     -155.040145         0.000038
BFGS:   24 11:56:30     -155.040145         0.000001
BFGS:   25 11:56:30     -155.040145         0.000000
BFGS:   26 11:56:30     -155.040145         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.440798234150556e-10 eV/Angstrom
Maximum stress component: 1.47999700962588e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 1.48220072e-52 5.00000000e-01]
 [2.96440143e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [4.17859392e-01 4.17859392e-01 4.17859392e-01]
 [8.21406079e-02 5.82140608e-01 9.17859392e-01]
 [5.82140608e-01 9.17859392e-01 8.21406079e-02]
 [9.17859392e-01 8.21406079e-02 5.82140608e-01]
 [5.82140608e-01 5.82140608e-01 5.82140608e-01]
 [9.17859392e-01 4.17859392e-01 8.21406079e-02]
 [4.17859392e-01 8.21406079e-02 9.17859392e-01]
 [8.21406079e-02 9.17859392e-01 4.17859392e-01]]
cellpar =  Cell([[4.5081018362345135, -4.2934339745386875e-36, 0.0], [1.4991189153238497e-35, 4.5081018362345135, 0.0], [0.0, 0.0, 4.5081018362345135]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.44079823e-10 -2.44079823e-10 -2.44079823e-10]
 [ 2.44079823e-10  2.44079823e-10 -2.44079823e-10]
 [ 2.44079823e-10 -2.44079823e-10  2.44079823e-10]
 [-2.44079823e-10  2.44079823e-10  2.44079823e-10]
 [ 2.44079823e-10  2.44079823e-10  2.44079823e-10]
 [-2.44079823e-10 -2.44079823e-10  2.44079823e-10]
 [-2.44079823e-10  2.44079823e-10 -2.44079823e-10]
 [ 2.44079823e-10 -2.44079823e-10 -2.44079823e-10]]
stress =  [-1.47999701e-11 -1.47999701e-11 -1.47999701e-11  0.00000000e+00
  0.00000000e+00 -3.23468319e-33]
energy per atom =  -12.920012058700323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0