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 17:45:41        2.241671       16.8325
BFGS:    1 17:45:41       -0.376431        9.0279
BFGS:    2 17:45:41       -1.748319        4.2781
BFGS:    3 17:45:41       -2.291866        1.5133
BFGS:    4 17:45:41       -2.392002        0.3928
BFGS:    5 17:45:41       -2.400310        0.0508
BFGS:    6 17:45:41       -2.400458        0.0020
BFGS:    7 17:45:41       -2.400459        0.0000
BFGS:    8 17:45:41       -2.400459        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.8000887058233446e-09 eV/Angstrom
Maximum stress component: 3.587902310363556e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[1.22548894e-01 1.22548894e-01 9.99103034e-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, -4.5366208991516074e-35, 1.3486906066258777e-39], [4.541859164880365e-35, 4.323698764151252, 3.393544099291247e-20], [-2.051956548975321e-36, 4.465300073838017e-20, 5.688099999999997]])
forces =  [[ 1.80008871e-09  1.80008871e-09  1.41283673e-29]
 [-1.80008871e-09 -1.80008871e-09 -1.41283673e-29]
 [-1.80008871e-09  1.80008871e-09  1.41283673e-29]
 [ 1.80008871e-09 -1.80008871e-09 -1.41283673e-29]]
stress =  [-3.58790231e-11 -3.58790231e-11 -7.26195201e-46 -1.61415499e-28
 -2.00654596e-47  1.41223874e-62]
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