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 16:47:35       -9.666821         8.482716
BFGS:    1 16:47:36      -10.720592         4.601359
BFGS:    2 16:47:36      -11.042809         1.990939
BFGS:    3 16:47:36      -11.128109         0.591428
BFGS:    4 16:47:36      -11.134991         0.182474
BFGS:    5 16:47:36      -11.135921         0.182486
BFGS:    6 16:47:36      -11.137506         0.239568
BFGS:    7 16:47:36      -11.140979         0.292921
BFGS:    8 16:47:36      -11.146077         0.276401
BFGS:    9 16:47:36      -11.150409         0.218972
BFGS:   10 16:47:36      -11.153578         0.256308
BFGS:   11 16:47:36      -11.155185         0.186012
BFGS:   12 16:47:36      -11.156221         0.100446
BFGS:   13 16:47:36      -11.156727         0.073625
BFGS:   14 16:47:36      -11.157163         0.089702
BFGS:   15 16:47:36      -11.157472         0.096191
BFGS:   16 16:47:36      -11.157586         0.049985
BFGS:   17 16:47:36      -11.157390         0.081734
BFGS:   18 16:47:36      -11.157640         0.024005
BFGS:   19 16:47:36      -11.157638         0.022666
BFGS:   20 16:47:37      -11.157657         0.005282
BFGS:   21 16:47:37      -11.157658         0.001177
BFGS:   22 16:47:37      -11.157658         0.000146
BFGS:   23 16:47:37      -11.157658         0.000014
BFGS:   24 16:47:37      -11.157658         0.000003
BFGS:   25 16:47:37      -11.157658         0.000000
BFGS:   26 16:47:37      -11.157658         0.000000
BFGS:   27 16:47:37      -11.157658         0.000000
Minimization converged after 27 steps.
Maximum force component: 3.790242158324687e-09 eV/Angstrom
Maximum stress component: 2.2405832201087342e-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([[2.724191508650868, 5.9775273067439096e-36, 0.0], [-1.423172086368725e-35, 7.521463199445745, 0.0], [0.0, 0.0, 3.4049763335730328]])
forces =  [[-5.33775809e-24  3.79024216e-09  5.63306082e-24]
 [-4.50679680e-24 -3.79024216e-09 -5.63306082e-24]
 [-4.50679680e-24  3.79024216e-09  0.00000000e+00]
 [-3.35833245e-24 -3.79024216e-09  0.00000000e+00]]
stress =  [ 1.19348439e-10 -2.24058322e-10 -1.43082678e-10  0.00000000e+00
  0.00000000e+00 -8.07403026e-26]
energy per atom =  -2.789414452759412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0