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 17:44:31      -26.789246        2.2524
BFGS:    1 17:44:31      -27.803947        1.6179
BFGS:    2 17:44:31      -28.623337        0.7237
BFGS:    3 17:44:31      -28.781175        0.2121
BFGS:    4 17:44:31      -28.789432        0.1239
BFGS:    5 17:44:31      -28.797413        0.1211
BFGS:    6 17:44:31      -28.803555        0.0676
BFGS:    7 17:44:31      -28.805323        0.0189
BFGS:    8 17:44:31      -28.805499        0.0036
BFGS:    9 17:44:31      -28.805504        0.0002
BFGS:   10 17:44:31      -28.805504        0.0000
BFGS:   11 17:44:31      -28.805504        0.0000
BFGS:   12 17:44:31      -28.805504        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.244981377510783e-09 eV/Angstrom
Maximum stress component: 5.7317868523123404e-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 2.56666144e-33 0.00000000e+00]
 [7.06319557e-01 2.05253361e-33 0.00000000e+00]
 [0.00000000e+00 2.93680443e-01 2.56774343e-33]
 [0.00000000e+00 7.06319557e-01 2.05296909e-33]
 [2.56616381e-33 0.00000000e+00 2.93680443e-01]
 [2.05356805e-33 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, 3.765244606646427e-32, -6.581209889169709e-33], [-4.3568107612619555e-32, 5.892561909504267, -7.718398774682993e-20], [-2.1104009146278344e-33, -7.718398774683224e-20, 5.892561909504267]])
forces =  [[ 1.24498138e-09  1.24498138e-09  1.24498138e-09]
 [-1.24498138e-09 -1.24498138e-09  1.24498138e-09]
 [-1.24498138e-09  1.24498138e-09 -1.24498138e-09]
 [ 1.24498138e-09 -1.24498138e-09 -1.24498138e-09]
 [ 1.24498138e-09  1.24498138e-09  1.24498138e-09]
 [-1.24498138e-09 -1.24498138e-09  1.24498138e-09]
 [-1.24498138e-09  1.24498138e-09 -1.24498138e-09]
 [ 1.24498138e-09 -1.24498138e-09 -1.24498138e-09]
 [ 4.49213336e-10 -6.05261943e-32 -1.40723402e-31]
 [-4.49213336e-10  2.42104777e-32 -9.68419109e-32]
 [-9.68419109e-32  4.49213336e-10 -5.95667256e-30]
 [-5.44735749e-32 -4.49213336e-10  5.86588327e-30]
 [-5.14472652e-32 -5.96877780e-30  4.49213336e-10]
 [ 2.42104777e-32  5.78719921e-30 -4.49213336e-10]
 [ 4.49213336e-10 -9.68419109e-32 -1.14999769e-31]
 [-4.49213336e-10  1.93683822e-31 -9.68419109e-32]
 [-9.68419109e-32  4.49213336e-10 -5.98088304e-30]
 [-7.26314332e-32 -4.49213336e-10  5.83562017e-30]
 [-6.05261943e-32 -5.98088304e-30  4.49213336e-10]
 [ 1.60884221e-43  5.78719921e-30 -4.49213336e-10]]
stress =  [-5.73178685e-11 -5.73178685e-11 -5.73178685e-11  2.12221449e-26
  9.46631351e-34 -1.25110574e-49]
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