element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.205', '1.6289236', '0.00016799968', '0.376832']
model name:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.500168  ]
 [0.33333333 0.66666667 0.876832  ]]
spacegroup =  186
cell =  [[3.205, 0, 0], [-1.6025, 2.7756114191291, 0], [0, 0, 5.2207]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:57:06      -17.358451         0.215702
BFGS:    1 11:57:06      -17.360871         0.150287
BFGS:    2 11:57:06      -17.362010         0.125437
BFGS:    3 11:57:06      -17.363227         0.071554
BFGS:    4 11:57:06      -17.363514         0.030812
BFGS:    5 11:57:06      -17.363550         0.020753
BFGS:    6 11:57:06      -17.363558         0.015574
BFGS:    7 11:57:06      -17.363576         0.014140
BFGS:    8 11:57:06      -17.363591         0.013601
BFGS:    9 11:57:06      -17.363599         0.005923
BFGS:   10 11:57:06      -17.363600         0.000984
BFGS:   11 11:57:06      -17.363600         0.000087
BFGS:   12 11:57:06      -17.363600         0.000005
BFGS:   13 11:57:06      -17.363600         0.000000
BFGS:   14 11:57:06      -17.363600         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.9005729731008084e-09 eV/Angstrom
Maximum stress component: 2.288236643551269e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.501     ]
 [0.66666666 0.33333334 0.001     ]
 [0.33333333 0.66666667 0.876     ]
 [0.66666666 0.33333334 0.376     ]]
cellpar =  Cell([[3.1905970976239315, 3.7268110868548217e-19, 4.5540660031840026e-38], [-1.5952985488119658, 2.7631381397832224, -1.5321304774453101e-37], [4.295934069244694e-37, -8.923872308050721e-37, 5.210223242301219]])
forces =  [[ 1.04872388e-31 -1.81644305e-31 -2.90057297e-09]
 [-8.84860775e-32 -2.83819226e-32 -2.90057297e-09]
 [-4.94866581e-31  1.30556844e-31  2.90057297e-09]
 [ 5.24361941e-31 -1.81644305e-31  2.90057297e-09]]
stress =  [ 2.35849362e-11  2.35849362e-11 -2.28823664e-10 -4.28086502e-34
 -2.47155857e-34 -1.26729458e-27]
energy per atom =  -4.340900088834676
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0