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 17:23:05     -113.032837        2.3163
BFGS:    1 17:23:05     -113.916186        2.9022
BFGS:    2 17:23:05     -115.511315        3.7979
BFGS:    3 17:23:05     -117.498469        4.7622
BFGS:    4 17:23:06     -119.960112        5.8726
BFGS:    5 17:23:06     -123.002619        7.2269
BFGS:    6 17:23:06     -126.760231        8.9210
BFGS:    7 17:23:06     -131.381010       10.9663
BFGS:    8 17:23:06     -136.958917       12.9726
BFGS:    9 17:23:06     -143.152121       12.9193
BFGS:   10 17:23:06     -148.121683        8.9189
BFGS:   11 17:23:06     -149.574566        8.1329
BFGS:   12 17:23:06     -150.727660        7.4317
BFGS:   13 17:23:06     -151.766019        6.6658
BFGS:   14 17:23:06     -152.686774        5.8113
BFGS:   15 17:23:06     -153.479811        4.9100
BFGS:   16 17:23:06     -154.128439        3.8631
BFGS:   17 17:23:06     -154.617822        2.7249
BFGS:   18 17:23:06     -154.927632        1.4532
BFGS:   19 17:23:06     -155.040051        0.0380
BFGS:   20 17:23:06     -155.040136        0.0360
BFGS:   21 17:23:06     -155.040144        0.0097
BFGS:   22 17:23:06     -155.040145        0.0004
BFGS:   23 17:23:06     -155.040145        0.0000
BFGS:   24 17:23:07     -155.040145        0.0000
BFGS:   25 17:23:07     -155.040145        0.0000
BFGS:   26 17:23:07     -155.040145        0.0000
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