element(s):
['Ga', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1989', '2.3743162']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[3.1989, 0, 0], [-1.59945, 2.770328664166, 0], [0, 0, 7.5952]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:50:07      -14.045936        2.5749
BFGS:    1 15:50:07      -14.211407        1.9327
BFGS:    2 15:50:07      -14.364529        1.1454
BFGS:    3 15:50:07      -14.443537        0.4491
BFGS:    4 15:50:07      -14.459253        0.0439
BFGS:    5 15:50:07      -14.459413        0.0021
BFGS:    6 15:50:07      -14.459413        0.0000
BFGS:    7 15:50:07      -14.459413        0.0000
Minimization converged after 7 steps.
Maximum force component: 3.2905455700674282e-31 eV/Angstrom
Maximum stress component: 7.024989888910513e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333346e-09 2.50000000e-01]
 [9.99999997e-01 3.33333346e-09 7.50000000e-01]]
cellpar =  Cell([[3.337009653579454, -1.6913740733268273e-17, -2.923630404243489e-41], [-1.668504826789727, 2.889935132673717, 2.9236296344243163e-41], [7.580127488738991e-38, -4.3763720945446955e-38, 7.595199999999998]])
forces =  [[ 3.29054557e-31 -1.89979737e-31 -1.87818261e-67]
 [-3.29054557e-31  1.89979737e-31  1.87818261e-67]
 [ 3.29054557e-31 -1.89979737e-31 -1.87818261e-67]
 [-3.29054557e-31  1.89979737e-31  1.87818261e-67]]
stress =  [-7.02498989e-11 -7.02498989e-11 -1.86590462e-86 -4.04781569e-49
  7.01104895e-49 -2.23780742e-26]
energy per atom =  -3.614853288875186
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0