element(s):
['N']
AFLOW prototype label:
A_tP4_136_f
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2482', '1.3389436', '0.092623864']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.09262386 0.09262386 0.        ]]
spacegroup =  136
cell =  [[4.2482, 0, 0], [0, 4.2482, 0], [0, 0, 5.6881]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:05        2.241671        16.832459
BFGS:    1 18:00:05       -0.376431         9.027939
BFGS:    2 18:00:05       -1.748319         4.278075
BFGS:    3 18:00:05       -2.291866         1.513327
BFGS:    4 18:00:05       -2.392002         0.392844
BFGS:    5 18:00:05       -2.400310         0.050820
BFGS:    6 18:00:05       -2.400458         0.002044
BFGS:    7 18:00:05       -2.400459         0.000010
BFGS:    8 18:00:05       -2.400459         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.800088705823345e-09 eV/Angstrom
Maximum stress component: 3.587902310363559e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[1.22548894e-01 1.22548894e-01 9.93944837e-34]
 [8.77451106e-01 8.77451106e-01 0.00000000e+00]
 [3.77451106e-01 6.22548894e-01 5.00000000e-01]
 [6.22548894e-01 3.77451106e-01 5.00000000e-01]]
cellpar =  Cell([[4.323698764151252, -4.536611341145403e-35, 7.718834227133083e-40], [4.5418506688609886e-35, 4.323698764151252, 3.396355320995498e-20], [2.4229803499085487e-32, 4.468998414446004e-20, 5.688099999999996]])
forces =  [[ 1.80008871e-09  1.80008871e-09  1.41400712e-29]
 [-1.80008871e-09 -1.80008871e-09 -1.41400712e-29]
 [-1.80008871e-09  1.80008871e-09  1.41400712e-29]
 [ 1.80008871e-09 -1.80008871e-09 -1.41400712e-29]]
stress =  [-3.58790231e-11 -3.58790231e-11 -4.78810740e-43 -4.14478725e-27
  1.52835161e-43  4.53928900e-59]
energy per atom =  -0.6001146643669301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0