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 15:31:16      -16.073210         6.570357
BFGS:    1 15:31:16      -17.073643         6.897909
BFGS:    2 15:31:16      -18.126243         7.195726
BFGS:    3 15:31:16      -19.223744         7.487810
BFGS:    4 15:31:16      -20.340927         7.810227
BFGS:    5 15:31:16      -21.462064         8.084167
BFGS:    6 15:31:16      -22.568843         8.299191
BFGS:    7 15:31:16      -23.632536         8.440567
BFGS:    8 15:31:16      -24.642415         8.489860
BFGS:    9 15:31:16      -25.584552         8.439209
BFGS:   10 15:31:16      -26.443164         8.293508
BFGS:   11 15:31:16      -27.206931         8.042359
BFGS:   12 15:31:16      -27.871837         7.704726
BFGS:   13 15:31:16      -28.439936         7.324511
BFGS:   14 15:31:16      -28.921708         6.882980
BFGS:   15 15:31:16      -29.333390         6.409942
BFGS:   16 15:31:16      -29.691907         5.930569
BFGS:   17 15:31:16      -30.012281         5.424546
BFGS:   18 15:31:16      -30.303407         4.801057
BFGS:   19 15:31:16      -30.567991         4.045122
BFGS:   20 15:31:16      -30.803973         3.138778
BFGS:   21 15:31:16      -31.003746         3.622014
BFGS:   22 15:31:16      -31.155456         3.788848
BFGS:   23 15:31:17      -31.247325         3.308782
BFGS:   24 15:31:17      -31.301275         2.459600
BFGS:   25 15:31:17      -31.388374         0.654844
BFGS:   26 15:31:17      -31.392196         0.142035
BFGS:   27 15:31:17      -31.392414         0.034433
BFGS:   28 15:31:17      -31.392442         0.014449
BFGS:   29 15:31:17      -31.392445         0.007322
BFGS:   30 15:31:17      -31.392447         0.007415
BFGS:   31 15:31:17      -31.392455         0.011337
BFGS:   32 15:31:17      -31.392466         0.015390
BFGS:   33 15:31:17      -31.392477         0.013603
BFGS:   34 15:31:17      -31.392482         0.005605
BFGS:   35 15:31:17      -31.392483         0.000711
BFGS:   36 15:31:17      -31.392483         0.000033
BFGS:   37 15:31:17      -31.392483         0.000004
BFGS:   38 15:31:17      -31.392483         0.000000
BFGS:   39 15:31:17      -31.392483         0.000000
Minimization converged after 39 steps.
Maximum force component: 4.952657176560131e-10 eV/Angstrom
Maximum stress component: 6.776839870054759e-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([[2.3284242040031575, -1.17292877009161e-19, -0.02272625918656282], [-4.065729562728102e-19, 7.506565024152929, -3.3379868071670482e-18], [-2.3053945367534157, -9.287499864391309e-19, 2.382236128392918]])
forces =  [[-2.68247389e-29  4.95265718e-10 -2.20232613e-28]
 [-2.68821390e-29  4.95265718e-10 -2.20232053e-28]
 [ 2.68247389e-29 -4.95265718e-10  2.20232613e-28]
 [ 2.68247389e-29 -4.95265718e-10  2.20232613e-28]]
stress =  [-3.85595805e-10  6.77683987e-10  3.54885507e-11 -1.52731005e-28
  4.95519339e-11 -2.94308320e-28]
energy per atom =  -7.848120761908077
===============================================
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.