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 16:32:09      -10.389439        12.854315
BFGS:    1 16:32:09      -13.869763         6.189195
BFGS:    2 16:32:09      -16.130389         5.148367
BFGS:    3 16:32:09      -18.092928         4.803021
BFGS:    4 16:32:09      -19.828508         2.483979
BFGS:    5 16:32:09      -18.993668         6.148420
BFGS:    6 16:32:10      -20.124023         3.566224
BFGS:    7 16:32:10      -20.347197         2.007337
BFGS:    8 16:32:10      -20.686712         1.913408
BFGS:    9 16:32:10      -20.995937         1.633884
BFGS:   10 16:32:10      -21.238626         1.204265
BFGS:   11 16:32:10      -21.408685         0.766420
BFGS:   12 16:32:10      -21.509116         0.354260
BFGS:   13 16:32:10      -21.544827         0.042524
BFGS:   14 16:32:10      -21.545097         0.016816
BFGS:   15 16:32:10      -21.545104         0.005909
BFGS:   16 16:32:10      -21.545105         0.000291
BFGS:   17 16:32:10      -21.545105         0.000009
BFGS:   18 16:32:10      -21.545105         0.000000
BFGS:   19 16:32:10      -21.545105         0.000000
BFGS:   20 16:32:10      -21.545105         0.000000
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