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 13:40:20      -87.968249        14.177195
BFGS:    1 13:40:20      -89.540896        14.211372
BFGS:    2 13:40:21      -90.975221        14.176720
BFGS:    3 13:40:21      -92.300114        14.095295
BFGS:    4 13:40:22      -93.531888        13.949902
BFGS:    5 13:40:22      -94.680574        13.746967
BFGS:    6 13:40:23      -95.756013        13.483611
BFGS:    7 13:40:24      -96.765720        13.156232
BFGS:    8 13:40:24      -97.716312        12.787279
BFGS:    9 13:40:24      -98.611110        12.339025
BFGS:   10 13:40:24      -99.453429        11.793548
BFGS:   11 13:40:25     -100.244346        11.193403
BFGS:   12 13:40:25     -100.979163        10.467980
BFGS:   13 13:40:27     -101.658165         9.657268
BFGS:   14 13:40:27     -102.277907         8.715168
BFGS:   15 13:40:28     -102.832904         7.646347
BFGS:   16 13:40:28     -103.316353         6.436088
BFGS:   17 13:40:29     -103.719455         5.066288
BFGS:   18 13:40:29     -104.030911         3.514356
BFGS:   19 13:40:30     -104.237155         1.747612
BFGS:   20 13:40:31     -104.313010         0.279063
BFGS:   21 13:40:31     -104.314498         0.165196
BFGS:   22 13:40:32     -104.315942         0.020253
BFGS:   23 13:40:33     -104.315947         0.019835
BFGS:   24 13:40:33     -104.315953         0.000552
BFGS:   25 13:40:34     -104.315953         0.000039
BFGS:   26 13:40:35     -104.315953         0.000000
BFGS:   27 13:40:35     -104.315953         0.000000
Minimization converged after 27 steps.
Maximum force component: 2.6910601479798997e-09 eV/Angstrom
Maximum stress component: 3.743486763394137e-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([[4.847512897564015, 1.7989790882888834e-17, -7.2766630820670885e-37], [-2.4237564487820076, 4.198069314463151, 1.733092965129628e-38], [-5.272985685898877e-36, -1.6258576654619471e-35, 3.957286621745311]])
forces =  [[ 3.18667784e-31 -5.51948793e-31 -1.04058290e-30]
 [-3.18667784e-31  5.51948793e-31  1.04058290e-30]
 [-5.89064688e-25 -2.69106015e-09 -3.12174871e-30]
 [ 2.33052645e-09  1.34553007e-09 -2.08116580e-30]
 [-2.33052645e-09  1.34553007e-09 -3.12174871e-30]
 [ 5.89064688e-25  2.69106015e-09  3.12174871e-30]
 [-2.33052645e-09 -1.34553007e-09  2.08116580e-30]
 [ 2.33052645e-09 -1.34553007e-09  3.12174871e-30]]
stress =  [-2.95071461e-11 -2.95071461e-11  3.74348676e-10 -5.93558235e-33
 -1.71345503e-33  2.25835867e-26]
energy per atom =  -13.03949412557539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0