element(s):
['Ga']
AFLOW prototype label:
A_mC4_15_e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7913', '2.9000466', '1.53656', '129.558', '0.88421875']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.88421875 0.25      ]]
spacegroup =  15
cell =  [[2.7913, 0, 0], [0, 8.0949, 0], [-2.7314882631561, 0, 3.306734471989]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:22:07      -16.073210        6.5704
BFGS:    1 16:22:07      -17.073643        6.8979
BFGS:    2 16:22:07      -18.126243        7.1957
BFGS:    3 16:22:07      -19.223744        7.4878
BFGS:    4 16:22:07      -20.340927        7.8102
BFGS:    5 16:22:07      -21.462064        8.0842
BFGS:    6 16:22:07      -22.568843        8.2992
BFGS:    7 16:22:07      -23.632536        8.4406
BFGS:    8 16:22:07      -24.642415        8.4899
BFGS:    9 16:22:07      -25.584552        8.4392
BFGS:   10 16:22:08      -26.443164        8.2935
BFGS:   11 16:22:08      -27.206931        8.0424
BFGS:   12 16:22:08      -27.871837        7.7047
BFGS:   13 16:22:08      -28.439936        7.3245
BFGS:   14 16:22:08      -28.921708        6.8830
BFGS:   15 16:22:08      -29.333390        6.4099
BFGS:   16 16:22:08      -29.691907        5.9306
BFGS:   17 16:22:08      -30.012281        5.4245
BFGS:   18 16:22:08      -30.303407        4.8011
BFGS:   19 16:22:08      -30.567991        4.0451
BFGS:   20 16:22:08      -30.803973        3.1388
BFGS:   21 16:22:08      -31.003746        3.6220
BFGS:   22 16:22:08      -31.155456        3.7888
BFGS:   23 16:22:08      -31.247325        3.3088
BFGS:   24 16:22:08      -31.301275        2.4596
BFGS:   25 16:22:08      -31.388374        0.6548
BFGS:   26 16:22:08      -31.392196        0.1420
BFGS:   27 16:22:08      -31.392414        0.0344
BFGS:   28 16:22:08      -31.392442        0.0144
BFGS:   29 16:22:08      -31.392445        0.0073
BFGS:   30 16:22:08      -31.392447        0.0074
BFGS:   31 16:22:08      -31.392455        0.0113
BFGS:   32 16:22:08      -31.392466        0.0154
BFGS:   33 16:22:08      -31.392477        0.0136
BFGS:   34 16:22:08      -31.392482        0.0056
BFGS:   35 16:22:08      -31.392483        0.0007
BFGS:   36 16:22:08      -31.392483        0.0000
BFGS:   37 16:22:08      -31.392483        0.0000
BFGS:   38 16:22:08      -31.392483        0.0000
BFGS:   39 16:22:08      -31.392483        0.0000
Minimization converged after 39 steps.
Maximum force component: 4.953820215771202e-10 eV/Angstrom
Maximum stress component: 6.776858793343507e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.88503611 0.25      ]
 [0.5        0.38503611 0.25      ]
 [1.         0.11496389 0.75      ]
 [0.5        0.61496389 0.75      ]]
cellpar =  Cell([[2.328424204003159, -5.033487090631772e-20, -0.02272625918657], [-1.386618745045643e-19, 7.506565024152929, 3.8814286639214985e-19], [-2.3053945367534094, 1.1773665665084767e-19, 2.382236128392926]])
forces =  [[-9.15073665e-30  4.95382022e-10  2.56147782e-29]
 [-9.60993736e-30  4.95382022e-10  2.56192601e-29]
 [ 1.00691381e-29 -4.95382022e-10 -2.56237421e-29]
 [ 9.15073665e-30 -4.95382022e-10 -2.56147782e-29]]
stress =  [-3.85584991e-10  6.77685879e-10  3.54924726e-11 -5.20891453e-29
  4.95517517e-11 -1.00374033e-28]
energy per atom =  -7.848120761908072
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_mC4_15_e, while relaxed is A_oC4_63_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.