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:
Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001
==== 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 16:21:54      -10.540065        1.3493
BFGS:    1 16:21:54      -10.570108        1.3186
BFGS:    2 16:21:54      -10.639241        1.1963
BFGS:    3 16:21:54      -10.695392        1.0060
BFGS:    4 16:21:54      -10.737416        0.7482
BFGS:    5 16:21:54      -10.765125        0.5808
BFGS:    6 16:21:54      -10.781226        0.7663
BFGS:    7 16:21:54      -10.793547        0.8118
BFGS:    8 16:21:54      -10.826215        0.7911
BFGS:    9 16:21:54      -10.855476        0.6971
BFGS:   10 16:21:54      -10.879997        0.5555
BFGS:   11 16:21:54      -10.900362        0.3975
BFGS:   12 16:21:54      -10.914901        0.2872
BFGS:   13 16:21:54      -10.925856        0.2763
BFGS:   14 16:21:54      -10.935078        0.2151
BFGS:   15 16:21:54      -10.943183        0.2881
BFGS:   16 16:21:54      -10.950305        0.3435
BFGS:   17 16:21:54      -10.957651        0.3651
BFGS:   18 16:21:54      -10.964320        0.3374
BFGS:   19 16:21:54      -10.970340        0.2623
BFGS:   20 16:21:54      -10.974543        0.1774
BFGS:   21 16:21:54      -10.977698        0.1090
BFGS:   22 16:21:54      -10.979614        0.0507
BFGS:   23 16:21:54      -10.980290        0.0270
BFGS:   24 16:21:54      -10.980446        0.0221
BFGS:   25 16:21:54      -10.980472        0.0211
BFGS:   26 16:21:54      -10.980494        0.0196
BFGS:   27 16:21:55      -10.980543        0.0151
BFGS:   28 16:21:55      -10.980604        0.0123
BFGS:   29 16:21:55      -10.980651        0.0077
BFGS:   30 16:21:55      -10.980664        0.0025
BFGS:   31 16:21:55      -10.980665        0.0003
BFGS:   32 16:21:55      -10.980665        0.0000
BFGS:   33 16:21:55      -10.980665        0.0000
BFGS:   34 16:21:55      -10.980665        0.0000
BFGS:   35 16:21:55      -10.980665        0.0000
Minimization converged after 35 steps.
Maximum force component: 3.994662975403963e-09 eV/Angstrom
Maximum stress component: 3.9603509877651757e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.00000000e+00 8.81556478e-01 2.50000000e-01]
 [5.00000000e-01 3.81556478e-01 2.50000000e-01]
 [4.81304723e-16 1.18443522e-01 7.50000000e-01]
 [5.00000000e-01 6.18443522e-01 7.50000000e-01]]
cellpar =  Cell([[2.7683482867113622, -3.923194055533942e-19, -0.026147138919457653], [-1.2788806797015972e-18, 9.157391885290698, -5.958173113089983e-18], [-2.7411801319393425, -1.7560623296581733e-18, 2.9025962044707447]])
forces =  [[-5.57893783e-28  3.99466298e-09 -2.59907297e-27]
 [-5.57893783e-28  3.99466298e-09 -2.59907297e-27]
 [ 5.57893951e-28 -3.99466298e-09  2.59909070e-27]
 [ 5.57893783e-28 -3.99466298e-09  2.59907297e-27]]
stress =  [3.96035099e-10 1.13089596e-10 2.04662795e-10 1.00713132e-26
 3.18500081e-11 1.50913219e-27]
energy per atom =  -2.7451662742371568
===============================================
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.