element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.16473467 0.16473467 0.16473467]]
spacegroup =  199
cell =  [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:19:00      -10.389439       12.8543
BFGS:    1 18:19:00      -13.869763        6.1892
BFGS:    2 18:19:00      -16.130389        5.1484
BFGS:    3 18:19:00      -18.092928        4.8030
BFGS:    4 18:19:00      -19.828508        2.4840
BFGS:    5 18:19:00      -18.993668        6.1484
BFGS:    6 18:19:00      -20.124023        3.5662
BFGS:    7 18:19:00      -20.347197        2.0073
BFGS:    8 18:19:00      -20.686712        1.9134
BFGS:    9 18:19:00      -20.995937        1.6339
BFGS:   10 18:19:00      -21.238626        1.2043
BFGS:   11 18:19:00      -21.408685        0.7664
BFGS:   12 18:19:00      -21.509116        0.3543
BFGS:   13 18:19:00      -21.544827        0.0425
BFGS:   14 18:19:00      -21.545097        0.0168
BFGS:   15 18:19:00      -21.545104        0.0059
BFGS:   16 18:19:00      -21.545105        0.0003
BFGS:   17 18:19:00      -21.545105        0.0000
BFGS:   18 18:19:00      -21.545105        0.0000
BFGS:   19 18:19:00      -21.545105        0.0000
BFGS:   20 18:19:00      -21.545105        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.202118846270415e-10 eV/Angstrom
Maximum stress component: 1.460511624697813e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.20436323 0.20436323 0.20436323]
 [0.29563677 0.79563677 0.70436323]
 [0.79563677 0.70436323 0.29563677]
 [0.70436323 0.29563677 0.79563677]
 [0.70436323 0.70436323 0.70436323]
 [0.79563677 0.29563677 0.20436323]
 [0.29563677 0.20436323 0.79563677]
 [0.20436323 0.79563677 0.29563677]]
cellpar =  Cell([3.9915291281613943, 3.9915291281613943, 3.9915291281613943])
forces =  [[ 1.20211885e-10  1.20211885e-10  1.20211885e-10]
 [-1.20211885e-10 -1.20211885e-10  1.20211885e-10]
 [-1.20211885e-10  1.20211885e-10 -1.20211885e-10]
 [ 1.20211885e-10 -1.20211885e-10 -1.20211885e-10]
 [ 1.20211885e-10  1.20211885e-10  1.20211885e-10]
 [-1.20211885e-10 -1.20211885e-10  1.20211885e-10]
 [-1.20211885e-10  1.20211885e-10 -1.20211885e-10]
 [ 1.20211885e-10 -1.20211885e-10 -1.20211885e-10]]
stress =  [1.46051162e-11 1.46051162e-11 1.46051162e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -2.6931381559861323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0