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 16:22:49      -14.753557       12.8499
BFGS:    1 16:22:49      -16.526301       14.0998
BFGS:    2 16:22:49      -18.416586       15.1382
BFGS:    3 16:22:49      -20.387921       15.6609
BFGS:    4 16:22:49      -22.304334       15.3490
BFGS:    5 16:22:49      -24.059095       15.6933
BFGS:    6 16:22:49      -25.734029       14.7364
BFGS:    7 16:22:49      -26.739812       11.5254
BFGS:    8 16:22:49      -27.429628        6.2874
BFGS:    9 16:22:49      -28.013121        7.0787
BFGS:   10 16:22:49      -28.520757       10.1598
BFGS:   11 16:22:49      -28.924335       13.6833
BFGS:   12 16:22:49      -29.304229       11.3229
BFGS:   13 16:22:49      -29.570984        6.2654
BFGS:   14 16:22:49      -29.627998        2.9701
BFGS:   15 16:22:49      -29.636707        2.9514
BFGS:   16 16:22:49      -29.647820        2.7750
BFGS:   17 16:22:49      -29.656496        2.2950
BFGS:   18 16:22:49      -29.668981        1.0529
BFGS:   19 16:22:49      -29.673791        0.6106
BFGS:   20 16:22:49      -29.674970        0.1224
BFGS:   21 16:22:49      -29.675039        0.0104
BFGS:   22 16:22:49      -29.675039        0.0010
BFGS:   23 16:22:49      -29.675039        0.0002
BFGS:   24 16:22:49      -29.675039        0.0000
BFGS:   25 16:22:49      -29.675039        0.0000
BFGS:   26 16:22:49      -29.675039        0.0000
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.