element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1188', '0.88215988', '0.83576263']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83576263 0.67152526 0.25      ]]
spacegroup =  194
cell =  [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:06:53      -87.968249       14.1772
BFGS:    1 09:06:53      -89.540896       14.2114
BFGS:    2 09:06:53      -90.975221       14.1767
BFGS:    3 09:06:53      -92.300114       14.0953
BFGS:    4 09:06:53      -93.531888       13.9499
BFGS:    5 09:06:53      -94.680574       13.7470
BFGS:    6 09:06:53      -95.756013       13.4836
BFGS:    7 09:06:53      -96.765720       13.1562
BFGS:    8 09:06:53      -97.716312       12.7873
BFGS:    9 09:06:54      -98.611110       12.3390
BFGS:   10 09:06:54      -99.453429       11.7935
BFGS:   11 09:06:54     -100.244346       11.1934
BFGS:   12 09:06:54     -100.979163       10.4680
BFGS:   13 09:06:54     -101.658165        9.6573
BFGS:   14 09:06:54     -102.277907        8.7152
BFGS:   15 09:06:54     -102.832904        7.6463
BFGS:   16 09:06:54     -103.316353        6.4361
BFGS:   17 09:06:54     -103.719455        5.0663
BFGS:   18 09:06:54     -104.030911        3.5144
BFGS:   19 09:06:54     -104.237155        1.7476
BFGS:   20 09:06:54     -104.313010        0.2791
BFGS:   21 09:06:54     -104.314498        0.1652
BFGS:   22 09:06:54     -104.315942        0.0203
BFGS:   23 09:06:54     -104.315947        0.0198
BFGS:   24 09:06:54     -104.315953        0.0006
BFGS:   25 09:06:54     -104.315953        0.0000
BFGS:   26 09:06:54     -104.315953        0.0000
BFGS:   27 09:06:54     -104.315953        0.0000
Minimization converged after 27 steps.
Maximum force component: 2.6909103860967126e-09 eV/Angstrom
Maximum stress component: 3.743492534636396e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83285682 0.66571366 0.25      ]
 [0.33428634 0.16714318 0.25      ]
 [0.83285682 0.16714318 0.25      ]
 [0.16714317 0.33428635 0.75      ]
 [0.66571365 0.83285683 0.75      ]
 [0.16714317 0.83285683 0.75      ]]
cellpar =  Cell([[4.847512897564017, 1.5404578891103688e-17, -4.2770121513197455e-36], [-2.4237564487820085, 4.1980693144631545, 7.764970637151574e-36], [-8.429798749204873e-37, 1.5628738191790188e-35, 3.9572866217453107]])
forces =  [[-1.59333892e-31  2.75974397e-31  5.10456814e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.32299252e-26 -2.69091039e-09 -1.04058290e-30]
 [ 2.33039675e-09  1.34545519e-09 -2.52886809e-46]
 [-2.33039675e-09  1.34545519e-09  3.85938084e-45]
 [ 2.30025078e-25  2.69091039e-09  1.04058290e-30]
 [-2.33039675e-09 -1.34545519e-09  2.52886809e-46]
 [ 2.33039675e-09 -1.34545519e-09 -3.85938084e-45]]
stress =  [-2.94932289e-11 -2.94932289e-11  3.74349253e-10  2.96779118e-33
 -1.71345503e-33  3.08497375e-27]
energy per atom =  -13.039494125575391
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0