element(s):
['N']
AFLOW prototype label:
A_cP8_198_2a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9467', '0.062777283', '0.95474']
model name:
Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.06277728 0.06277728 0.06277728]
 [0.95474    0.95474    0.95474   ]]
spacegroup =  198
cell =  [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:34        4.494136       16.8482
BFGS:    1 14:23:34       -0.644865        9.1776
BFGS:    2 14:23:34       -3.365292        4.5179
BFGS:    3 14:23:34       -4.548410        1.6306
BFGS:    4 14:23:34       -4.778361        0.4509
BFGS:    5 14:23:34       -4.800425        0.0647
BFGS:    6 14:23:34       -4.800916        0.0031
BFGS:    7 14:23:34       -4.800917        0.0000
BFGS:    8 14:23:34       -4.800917        0.0000
Minimization converged after 8 steps.
Maximum force component: 5.151981467057444e-09 eV/Angstrom
Maximum stress component: 8.320311275349913e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.08105303 0.08105303 0.08105303]
 [0.41894697 0.91894697 0.58105303]
 [0.91894697 0.58105303 0.41894697]
 [0.58105303 0.41894697 0.91894697]
 [0.93646426 0.93646426 0.93646426]
 [0.56353574 0.06353574 0.43646426]
 [0.06353574 0.43646426 0.56353574]
 [0.43646426 0.56353574 0.06353574]]
cellpar =  Cell([5.9843174337056615, 5.9843174337056615, 5.9843174337056615])
forces =  [[ 5.15198147e-09  5.15198147e-09  5.15198147e-09]
 [-5.15198147e-09 -5.15198147e-09  5.15198147e-09]
 [-5.15198147e-09  5.15198147e-09 -5.15198147e-09]
 [ 5.15198147e-09 -5.15198147e-09 -5.15198147e-09]
 [-5.15198147e-09 -5.15198147e-09 -5.15198147e-09]
 [ 5.15198147e-09  5.15198147e-09 -5.15198147e-09]
 [ 5.15198147e-09 -5.15198147e-09  5.15198147e-09]
 [-5.15198147e-09  5.15198147e-09  5.15198147e-09]]
stress =  [-8.32031128e-11 -8.32031128e-11 -8.32031128e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
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