element(s):
['N']
AFLOW prototype label:
A_cI20_217_ce
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.878', '0.63332537', '0.28144238']
model name:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.13332537 0.13332537 0.13332537]
 [0.28144238 0.         0.        ]]
spacegroup =  217
cell =  [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:15      -26.789246         2.252428
BFGS:    1 16:44:15      -27.803947         1.617939
BFGS:    2 16:44:15      -28.623337         0.723715
BFGS:    3 16:44:15      -28.781175         0.212140
BFGS:    4 16:44:15      -28.789432         0.123906
BFGS:    5 16:44:15      -28.797413         0.121110
BFGS:    6 16:44:15      -28.803555         0.067570
BFGS:    7 16:44:15      -28.805323         0.018852
BFGS:    8 16:44:15      -28.805499         0.003579
BFGS:    9 16:44:15      -28.805504         0.000192
BFGS:   10 16:44:15      -28.805504         0.000010
BFGS:   11 16:44:15      -28.805504         0.000000
BFGS:   12 16:44:15      -28.805504         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.2449836359467071e-09 eV/Angstrom
Maximum stress component: 5.7317742199173896e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[1.46840221e-01 1.46840221e-01 1.46840221e-01]
 [8.53159779e-01 8.53159779e-01 1.46840221e-01]
 [8.53159779e-01 1.46840221e-01 8.53159779e-01]
 [1.46840221e-01 8.53159779e-01 8.53159779e-01]
 [6.46840221e-01 6.46840221e-01 6.46840221e-01]
 [3.53159779e-01 3.53159779e-01 6.46840221e-01]
 [3.53159779e-01 6.46840221e-01 3.53159779e-01]
 [6.46840221e-01 3.53159779e-01 3.53159779e-01]
 [2.93680443e-01 1.54475831e-33 0.00000000e+00]
 [7.06319557e-01 2.56790618e-34 0.00000000e+00]
 [0.00000000e+00 2.93680443e-01 1.51980995e-33]
 [0.00000000e+00 7.06319557e-01 3.10498808e-34]
 [1.54475635e-33 0.00000000e+00 2.93680443e-01]
 [2.56790618e-34 0.00000000e+00 7.06319557e-01]
 [7.93680443e-01 5.00000000e-01 5.00000000e-01]
 [2.06319557e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.93680443e-01 5.00000000e-01]
 [5.00000000e-01 2.06319557e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.93680443e-01]
 [5.00000000e-01 5.00000000e-01 2.06319557e-01]]
cellpar =  Cell([[5.892561909504267, -2.155381359428738e-33, -1.873384279687347e-33], [2.1822409404884954e-33, 5.892561909504267, -8.540546708328655e-19], [-3.467425792271775e-33, -8.540546708328662e-19, 5.892561909504267]])
forces =  [[ 1.24498364e-09  1.24498364e-09  1.24498364e-09]
 [-1.24498364e-09 -1.24498364e-09  1.24498364e-09]
 [-1.24498364e-09  1.24498364e-09 -1.24498364e-09]
 [ 1.24498364e-09 -1.24498364e-09 -1.24498364e-09]
 [ 1.24498364e-09  1.24498364e-09  1.24498364e-09]
 [-1.24498364e-09 -1.24498364e-09  1.24498364e-09]
 [-1.24498364e-09  1.24498364e-09 -1.24498364e-09]
 [ 1.24498364e-09 -1.24498364e-09 -1.24498364e-09]
 [ 4.49207344e-10 -6.05261943e-33  9.07892914e-33]
 [-4.49207344e-10 -1.21052389e-32 -2.42104777e-32]
 [ 1.21052389e-32  4.49207344e-10 -6.51313126e-29]
 [ 3.02630971e-33 -4.49207344e-10  6.50859179e-29]
 [-1.81578583e-32 -6.51252600e-29  4.49207344e-10]
 [-2.42104777e-32  6.50828916e-29 -4.49207344e-10]
 [ 4.49207344e-10  4.53946457e-33  4.53946457e-33]
 [-4.49207344e-10  2.42104777e-32 -2.42104777e-32]
 [ 1.66358652e-43  4.49207344e-10 -6.51313126e-29]
 [-6.05261943e-33 -4.49207344e-10  6.51010495e-29]
 [-2.26973229e-32 -6.51176942e-29  4.49207344e-10]
 [-2.42104777e-32  6.50828916e-29 -4.49207344e-10]]
stress =  [-5.73177422e-11 -5.73177422e-11 -5.73177422e-11  2.55828546e-29
  1.55526072e-59 -2.17178632e-60]
energy per atom =  -1.4402751931245068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0