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:
SW_BereSerra_2006_GaN__MO_861114678890_001
==== 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 09:57:48        2.241671        16.832450
BFGS:    1 09:57:48       -0.376431         9.027939
BFGS:    2 09:57:48       -1.748319         4.278075
BFGS:    3 09:57:48       -2.291866         1.513330
BFGS:    4 09:57:48       -2.392002         0.392847
BFGS:    5 09:57:48       -2.400310         0.050822
BFGS:    6 09:57:48       -2.400458         0.002034
BFGS:    7 09:57:48       -2.400459         0.000011
BFGS:    8 09:57:48       -2.400459         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.7019340954455142e-09 eV/Angstrom
Maximum stress component: 3.3922626475100233e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[1.22548893e-01 1.22548893e-01 0.00000000e+00]
 [8.77451107e-01 8.77451107e-01 3.40047046e-34]
 [3.77451107e-01 6.22548893e-01 5.00000000e-01]
 [6.22548893e-01 3.77451107e-01 5.00000000e-01]]
cellpar =  Cell([[4.323698755819073, 9.068089415463186e-35, 1.9207564559090662e-46], [5.67353925723788e-35, 4.323698755819073, 1.6074761015546781e-27], [-7.001699849031635e-39, 2.114736862952119e-27, 5.688099999999996]])
forces =  [[ 1.70193410e-09  1.70193410e-09  6.32749539e-37]
 [-1.70193410e-09 -1.70193410e-09 -6.32749539e-37]
 [-1.70193410e-09  1.70193410e-09  6.32749539e-37]
 [ 1.70193410e-09 -1.70193410e-09 -6.32749539e-37]]
stress =  [-3.39226265e-11 -3.39226265e-11 -8.96230705e-51 -5.51384616e-31
 -4.17566584e-50  1.59549252e-62]
energy per atom =  -0.6001146638018777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0