element(s):
['Ga']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:41:20       -9.666821         8.482716
BFGS:    1 09:41:21      -10.720592         4.601359
BFGS:    2 09:41:21      -11.042809         1.990939
BFGS:    3 09:41:21      -11.128109         0.591428
BFGS:    4 09:41:21      -11.134991         0.182474
BFGS:    5 09:41:21      -11.135921         0.182486
BFGS:    6 09:41:21      -11.137506         0.239568
BFGS:    7 09:41:21      -11.140979         0.292921
BFGS:    8 09:41:21      -11.146077         0.276401
BFGS:    9 09:41:21      -11.150409         0.218972
BFGS:   10 09:41:21      -11.153578         0.256308
BFGS:   11 09:41:21      -11.155185         0.186012
BFGS:   12 09:41:21      -11.156221         0.100446
BFGS:   13 09:41:21      -11.156727         0.073625
BFGS:   14 09:41:21      -11.157163         0.089702
BFGS:   15 09:41:21      -11.157472         0.096191
BFGS:   16 09:41:21      -11.157586         0.049985
BFGS:   17 09:41:21      -11.157390         0.081734
BFGS:   18 09:41:21      -11.157640         0.024005
BFGS:   19 09:41:21      -11.157638         0.022666
BFGS:   20 09:41:21      -11.157657         0.005282
BFGS:   21 09:41:21      -11.157658         0.001177
BFGS:   22 09:41:21      -11.157658         0.000146
BFGS:   23 09:41:21      -11.157658         0.000014
BFGS:   24 09:41:21      -11.157658         0.000003
BFGS:   25 09:41:21      -11.157658         0.000000
BFGS:   26 09:41:21      -11.157658         0.000000
BFGS:   27 09:41:21      -11.157658         0.000000
Minimization converged after 27 steps.
Maximum force component: 3.685379744433615e-09 eV/Angstrom
Maximum stress component: 2.2787994749417085e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.         0.14107907 0.25      ]
 [0.         0.85892093 0.75      ]
 [0.5        0.64107907 0.25      ]
 [0.5        0.35892093 0.75      ]]
cellpar =  Cell([[2.724191508654835, -3.072690721180224e-36, 0.0], [2.55099759120625e-35, 7.521463199436159, 0.0], [0.0, 0.0, 3.404976333572859]])
forces =  [[ 2.25339840e-24  3.68537974e-09  5.63306082e-24]
 [-5.61575594e-25 -3.68537974e-09 -5.63306082e-24]
 [ 1.17025966e-24  3.68537974e-09  1.12661216e-23]
 [-1.24994228e-44 -3.68537974e-09 -1.12661216e-23]]
stress =  [ 1.14127017e-10 -2.27879947e-10 -1.47026186e-10  0.00000000e+00
  0.00000000e+00 -4.03701513e-26]
energy per atom =  -2.789414452718894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0