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_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== 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 16:21:56       -9.712013        8.6849
BFGS:    1 16:21:56      -10.727828        4.4349
BFGS:    2 16:21:56      -11.039535        1.8142
BFGS:    3 16:21:56      -11.118147        0.5524
BFGS:    4 16:21:56      -11.126666        0.2087
BFGS:    5 16:21:56      -11.129090        0.2418
BFGS:    6 16:21:56      -11.131392        0.2799
BFGS:    7 16:21:56      -11.135115        0.3160
BFGS:    8 16:21:56      -11.140737        0.2172
BFGS:    9 16:21:56      -11.141786        0.2065
BFGS:   10 16:21:56      -11.148472        0.1578
BFGS:   11 16:21:56      -11.150266        0.3564
BFGS:   12 16:21:56      -11.152654        0.2506
BFGS:   13 16:21:56      -11.156988        0.1559
BFGS:   14 16:21:56      -11.157399        0.1098
BFGS:   15 16:21:56      -11.157626        0.0347
BFGS:   16 16:21:56      -11.157655        0.0058
BFGS:   17 16:21:56      -11.157658        0.0006
BFGS:   18 16:21:56      -11.157658        0.0001
BFGS:   19 16:21:56      -11.157658        0.0000
BFGS:   20 16:21:56      -11.157658        0.0000
BFGS:   21 16:21:56      -11.157658        0.0000
BFGS:   22 16:21:56      -11.157658        0.0000
BFGS:   23 16:21:56      -11.157658        0.0000
Minimization converged after 23 steps.
Maximum force component: 5.236464595270728e-10 eV/Angstrom
Maximum stress component: 1.771866253624759e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[1.         0.89107907 0.25      ]
 [0.5        0.39107907 0.25      ]
 [1.         0.10892093 0.75      ]
 [0.5        0.60892093 0.75      ]]
cellpar =  Cell([[2.724095316549158, -8.354425037853219e-19, -0.02289282831049005], [-2.3989908650611308e-18, 7.5214631989737155, 4.99273435741274e-18], [-2.695481648325877, 2.8071552627869525e-18, 3.4277489327739015]])
forces =  [[-4.50647065e-24 -5.23646460e-10  3.75254119e-26]
 [ 4.50680468e-24 -5.23646460e-10 -3.82206031e-26]
 [-4.50680468e-24  5.23646460e-10  3.82206031e-26]
 [ 4.50647065e-24  5.23646460e-10 -3.75254119e-26]]
stress =  [-1.17951388e-10 -1.77186625e-10 -1.30075873e-10  1.89116992e-28
  1.00041585e-10  2.57900659e-28]
energy per atom =  -2.789414452883343
===============================================
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.