element(s):
['Ga', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5262']
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.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.5262, 0, 0], [0, 4.5262, 0], [0, 0, 4.5262]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:15:24      -34.722100        0.1370
BFGS:    1 14:15:24      -34.722873        0.1262
BFGS:    2 14:15:24      -34.727201        0.0007
BFGS:    3 14:15:24      -34.727201        0.0000
BFGS:    4 14:15:24      -34.727201        0.0000
Minimization converged after 4 steps.
Maximum force component: 3.2272682725676976e-28 eV/Angstrom
Maximum stress component: 9.07422288632798e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga', 'N', 'N', 'N', 'N']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.512185914872753, 1.8211351414538307e-33, -2.3423978300178607e-34], [-3.642270198464122e-33, 4.512185914872753, 2.799661234534811e-22], [1.5308869858670371e-34, 2.799661234525706e-22, 4.512185914872753]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.61020919e-64  2.94472439e-52  4.74598275e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.70855379e-28  1.89839310e-29  4.15458881e-29]
 [-4.74598275e-29  1.04411621e-28 -3.22726827e-28]
 [-5.18582041e-29 -1.32887517e-28 -3.79678620e-29]
 [-1.89839310e-29  6.44600861e-29 -2.56283069e-28]]
stress =  [ 9.07422289e-12  9.07422289e-12  9.07422289e-12 -1.26766546e-28
 -5.67206757e-62  9.80226915e-61]
energy per atom =  -4.340900085460698
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0