element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1989', '2.3743162']
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 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[3.1989, 0, 0], [-1.59945, 2.770328664166, 0], [0, 0, 7.5952]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:50:07      -11.538341        3.6291
BFGS:    1 15:50:07      -11.862226        2.8569
BFGS:    2 15:50:07      -12.111405        2.1350
BFGS:    3 15:50:07      -12.290829        1.4612
BFGS:    4 15:50:07      -12.405127        0.8319
BFGS:    5 15:50:07      -12.458582        0.2439
BFGS:    6 15:50:07      -12.463852        0.0114
BFGS:    7 15:50:07      -12.463864        0.0002
BFGS:    8 15:50:07      -12.463864        0.0000
BFGS:    9 15:50:07      -12.463864        0.0000
Minimization converged after 9 steps.
Maximum force component: 4.491562132399642e-31 eV/Angstrom
Maximum stress component: 5.745253109186249e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333346e-09 2.50000000e-01]
 [9.99999997e-01 3.33333346e-09 7.50000000e-01]]
cellpar =  Cell([[3.4162388598592757, 2.4729832313789038e-17, 5.919768657001623e-44], [-1.7081194299296378, 2.9585496380337197, -5.1311453469628456e-40], [-3.67028663369666e-38, 5.346600118366587e-36, 7.595199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.61445267e-32 -9.72451727e-32  1.68656665e-71]
 [-4.49156213e-31  3.88980691e-31 -6.74665576e-71]
 [-5.61445267e-32 -2.91735518e-31  5.05931080e-71]]
stress =  [-5.74525311e-14 -5.74525311e-14 -5.69357267e-86  4.04433997e-50
 -2.77632264e-52  2.89191769e-30]
energy per atom =  -3.1159660578754496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0