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:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== 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 12:44:36      -17.358451         0.215698
BFGS:    1 12:44:37      -17.360871         0.150291
BFGS:    2 12:44:37      -17.362010         0.125431
BFGS:    3 12:44:37      -17.363227         0.071551
BFGS:    4 12:44:37      -17.363514         0.030815
BFGS:    5 12:44:37      -17.363550         0.020748
BFGS:    6 12:44:38      -17.363558         0.015574
BFGS:    7 12:44:38      -17.363576         0.014144
BFGS:    8 12:44:38      -17.363591         0.013606
BFGS:    9 12:44:38      -17.363599         0.005924
BFGS:   10 12:44:38      -17.363600         0.000984
BFGS:   11 12:44:39      -17.363600         0.000087
BFGS:   12 12:44:39      -17.363600         0.000005
BFGS:   13 12:44:39      -17.363600         0.000000
BFGS:   14 12:44:40      -17.363600         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.9081756722409925e-09 eV/Angstrom
Maximum stress component: 2.2816659773148855e-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([[3.190597258393912, 3.421727675482302e-18, 3.111527999596187e-39], [-1.595298629196956, 2.7631382790141115, 6.6305839025535125e-40], [-4.6089909022565355e-37, 9.306154290810426e-37, 5.21022350484644]])
forces =  [[ 6.71183318e-29 -2.32504721e-29 -2.90817567e-09]
 [-1.47660330e-28  6.97514164e-29 -2.90817567e-09]
 [ 6.71183318e-29 -2.32504721e-29  2.90817567e-09]
 [-1.47660330e-28  6.97514164e-29  2.90817567e-09]]
stress =  [ 2.33817575e-11  2.33817575e-11 -2.28166598e-10 -3.56738716e-35
  6.17889581e-35  8.85689027e-27]
energy per atom =  -4.340900085460694
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0