element(s):
['As', 'Ga']
AFLOW prototype label:
AB_oP2_25_a_b
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6788', '1.9933179', '1.0312453', '0.98390114', '0.66609886']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['As', 'Ga']
representative atom coordinates =  [[0.         0.         0.98390114]
 [0.         0.5        0.66609886]]
spacegroup =  25
cell =  [[2.6788, 0, 0], [0, 5.3397, 0], [0, 0, 2.7625]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:42:14      -14.753557        12.849917
BFGS:    1 14:42:14      -16.526301        14.099798
BFGS:    2 14:42:14      -18.416586        15.138205
BFGS:    3 14:42:14      -20.387921        15.660902
BFGS:    4 14:42:14      -22.304334        15.348994
BFGS:    5 14:42:14      -24.059095        15.693268
BFGS:    6 14:42:14      -25.734029        14.736443
BFGS:    7 14:42:14      -26.739812        11.525405
BFGS:    8 14:42:14      -27.429628         6.287414
BFGS:    9 14:42:14      -28.013121         7.078667
BFGS:   10 14:42:14      -28.520757        10.159822
BFGS:   11 14:42:14      -28.924335        13.683321
BFGS:   12 14:42:14      -29.304229        11.322907
BFGS:   13 14:42:14      -29.570984         6.265395
BFGS:   14 14:42:14      -29.627998         2.970146
BFGS:   15 14:42:14      -29.636707         2.951400
BFGS:   16 14:42:14      -29.647820         2.775009
BFGS:   17 14:42:14      -29.656496         2.294994
BFGS:   18 14:42:14      -29.668981         1.052926
BFGS:   19 14:42:14      -29.673791         0.610560
BFGS:   20 14:42:14      -29.674970         0.122417
BFGS:   21 14:42:14      -29.675039         0.010438
BFGS:   22 14:42:14      -29.675039         0.000984
BFGS:   23 14:42:14      -29.675039         0.000210
BFGS:   24 14:42:14      -29.675039         0.000001
BFGS:   25 14:42:14      -29.675039         0.000000
BFGS:   26 14:42:14      -29.675039         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.4512620317725516e-09 eV/Angstrom
Maximum stress component: 3.0038609592218283e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['As', 'Ga']
basis =  [[0.    0.    0.075]
 [0.    0.5   0.575]]
cellpar =  Cell([2.273909353582228, 4.027449029464208, 2.3177969155146045])
forces =  [[ 0.00000000e+00  0.00000000e+00 -1.45126203e-09]
 [ 0.00000000e+00  0.00000000e+00  1.45126148e-09]]
stress =  [-3.00386096e-10  1.04841379e-10  2.07022367e-10  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -14.837519540527282
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oP2_25_a_b, while relaxed is AB_oP2_47_a_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.